Parish, Meera M.
2015-09-01
This chapter presents the crossover from the Bardeen-Cooper-Schrieffer (BCS) state of weakly correlated pairs of fermions to the Bose-Einstein condensation (BEC) of diatomic molecules in the atomic Fermi gas. Our aim is to provide a pedagogical review of the BCS-BEC crossover, with an emphasis on the basic concepts, particularly those that are not generally known or are difficult to find in the literature. We shall not attempt to give an exhaustive survey of current research in the limited space here; where possible, we will direct the reader to more extensive reviews.
Dimensional BCS-BEC crossover in ultracold Fermi gases
Energy Technology Data Exchange (ETDEWEB)
Boettcher, Igor
2014-12-10
We investigate thermodynamics and phase structure of ultracold Fermi gases, which can be realized and measured in the laboratory with modern trapping techniques. We approach the subject from a both theoretical and experimental perspective. Central to the analysis is the systematic comparison of the BCS-BEC crossover of two-component fermions in both three and two dimensions. A dimensional reduction can be achieved in experiments by means of highly anisotropic traps. The Functional Renormalization Group (FRG) allows for a description of both cases in a unified theoretical framework. In three dimensions we discuss with the FRG the influence of high momentum particles onto the density, extend previous approaches to the Unitary Fermi Gas to reach quantitative precision, and study the breakdown of superfluidity due to an asymmetry in the population of the two fermion components. In this context we also investigate the stability of the Sarma phase. For the two-dimensional system scattering theory in reduced dimension plays an important role. We present both the theoretically as well as experimentally relevant aspects thereof. After a qualitative analysis of the phase diagram and the equation of state in two dimensions with the FRG we describe the experimental determination of the phase diagram of the two-dimensional BCS-BEC crossover in collaboration with the group of S. Jochim at PI Heidelberg.
Relativistic BCS-BEC Crossover at Quark Level
Directory of Open Access Journals (Sweden)
Zhuang P.
2010-10-01
Full Text Available The non-relativistic G0G formalism of BCS-BEC crossover at ﬁnite temperature is extended to relativistic fermion systems. The theory recovers the BCS mean ﬁeld approximation at zero temperature and the non-relativistic results in a proper limit. For massive fermions, when the coupling strength increases, there exist two crossovers from the weak coupling BCS superﬂuid to the non-relativistic BEC state and then to the relativistic BEC state. For color superconductivity at moderate baryon density, the matter is in the BCS-BEC crossover region, and the behavior of the pseudogap is quite similar to that found in high temperature superconductors.
Solution Theory of Ginzburg-Landau Theory on BCS-BEC Crossover
Directory of Open Access Journals (Sweden)
Shuhong Chen
2014-01-01
Full Text Available We establish strong solution theory of time-dependent Ginzburg-Landau (TDGL systems on BCS-BEC crossover. By the properties of Besov, Sobolev spaces, and Fourier functions and the method of bootstrapping argument, we deduce that the global existence of strong solutions to time-dependent Ginzburg-Landau systems on BCS-BEC crossover in various spatial dimensions.
The BCS-BEC crossover: From ultra-cold Fermi gases to nuclear systems
Strinati, Giancarlo Calvanese; Pieri, Pierbiagio; Röpke, Gerd; Schuck, Peter; Urban, Michael
2018-04-01
of the theory, especially in the normal phase where they account for precursor pairing effects. After an introduction to present the key concepts of the BCS-BEC crossover, this report discusses the mean-field treatment of the superfluid phase, both for homogeneous and inhomogeneous systems, as well as for symmetric (spin- or isospin-balanced) and asymmetric (spin- or isospin-imbalanced) matter. Pairing fluctuations in the normal phase are then considered, with their manifestations in thermodynamic and dynamic quantities. The last two Sections provide a more specialized discussion of the BCS-BEC crossover in ultra-cold Fermi gases and nuclear matter, respectively. The separate discussion in the two contexts aims at cross communicating to both communities topics and aspects which, albeit arising in one of the two fields, share a strong common interest.
Relativistic BCS-BEC crossover at finite temperature and its application to color superconductivity
International Nuclear Information System (INIS)
He Lianyi; Zhuang Pengfei
2007-01-01
The nonrelativistic G 0 G formalism of BCS-BEC crossover at finite temperature is extended to relativistic fermion systems. The uncondensed pairs contribute a pseudogap to the fermion excitations. The theory recovers the BCS mean field approximation at zero temperature and the nonrelativistic results in a proper limit. For massive fermions, when the coupling strength increases, there exist two crossovers from the weak coupling BCS superfluid to the nonrelativistic BEC state and then to the relativistic BEC state. For color superconductivity at moderate baryon density, the matter is in the BCS-BEC crossover region, and the behavior of the pseudogap is quite similar to that found in high temperature superconductors
BCS-BEC crossover in spatially modulated fermionic condensates
International Nuclear Information System (INIS)
Sedrakian, Armen
2011-01-01
Several novel multi-component fermionic condensates show universal behavior under imbalance in the number of fermionic species. Here I discuss their phase structure, thermodynamics, and the transition from the weak (BCS) to strong (BEC) coupling regime. The inhomogeneous superconducting phases are illustrated on the example of the Fulde-Ferrell phase which appears in the weak coupling regime, at low temperatures and large asymmetries. The inhomogeneous phases persist through the crossover up to (and possibly beyond) the transition to the strong coupling regime.
BCS-BEC crossover in spatially modulated fermionic condensates
Energy Technology Data Exchange (ETDEWEB)
Sedrakian, Armen, E-mail: sedrakian@th.physik.uni-frankfurt.de [Institute for Theoretical Physics, J. W. Goethe-University, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany)
2011-09-16
Several novel multi-component fermionic condensates show universal behavior under imbalance in the number of fermionic species. Here I discuss their phase structure, thermodynamics, and the transition from the weak (BCS) to strong (BEC) coupling regime. The inhomogeneous superconducting phases are illustrated on the example of the Fulde-Ferrell phase which appears in the weak coupling regime, at low temperatures and large asymmetries. The inhomogeneous phases persist through the crossover up to (and possibly beyond) the transition to the strong coupling regime.
Popov approximation for composite bosons in the BCS-BEC crossover
International Nuclear Information System (INIS)
Pieri, P.; Strinati, G.C.
2005-01-01
Theoretical treatments of the BCS-BEC crossover need to provide as accurate as possible descriptions of the two regimes where the diluteness condition applies, either in terms of the constituent fermions (BCS limit) or of the composite bosons which form as bound-fermion pairs (BEC limit). This has to occur via a single fermionic theory that bridges across these two limiting representations. In this paper, we set up successive improvements of the fermionic theory, that result into composite bosons described at the level of either the Bogoliubov or the Popov approximations for pointlike bosons. This work bears on the recent experimental advances on the BCS-BEC crossover with trapped Fermi atoms, which show the need for accurate theoretical descriptions of the BEC side of the crossover
BCS-BEC crossover in a system of microcavity polaritons
International Nuclear Information System (INIS)
Keeling, Jonathan; Eastham, P.R.; Szymanska, M.H.; Littlewood, P.B.
2005-01-01
We investigate the thermodynamics and signatures of a polariton condensate over a range of densities, using a model of microcavity polaritons with internal structure. We determine a phase diagram for this system including fluctuation corrections to the mean-field theory. At low densities the condensation temperature T c behaves like that for point bosons. At higher densities, when T c approaches the Rabi splitting, T c deviates from the form for point bosons, and instead approaches the result of a BCS-like mean-field theory. This crossover occurs at densities much less than the Mott density. We show that current experiments are in a density range where the phase boundary is described by the BCS-like mean-field boundary. We investigate the influence of inhomogeneous broadening and detuning of excitons on the phase diagram
Ground-state fidelity in the BCS-BEC crossover
International Nuclear Information System (INIS)
Khan, Ayan; Pieri, Pierbiagio
2009-01-01
The ground-state fidelity has been introduced recently as a tool to investigate quantum phase transitions. Here, we apply this concept in the context of a crossover problem. Specifically, we calculate the fidelity susceptibility for the BCS ground-state wave function, when the intensity of the fermionic attraction is varied from weak to strong in an interacting Fermi system, through the BCS-Bose-Einstein Condensation crossover. Results are presented for contact and finite-range attractive potentials and for both continuum and lattice models. We conclude that the fidelity susceptibility can be useful also in the context of crossover problems.
BCS-BEC crossover at finite temperature for superfluid trapped Fermi atoms
International Nuclear Information System (INIS)
Perali, A.; Pieri, P.; Pisani, L.; Strinati, G.C.
2004-01-01
We consider the BCS-BEC (Bose-Einstein-condensate) crossover for a system of trapped Fermi atoms at finite temperature, both below and above the superfluid critical temperature, by including fluctuations beyond mean field. We determine the superfluid critical temperature and the pair-breaking temperature as functions of the attractive interaction between Fermi atoms, from the weak- to the strong-coupling limit (where bosonic molecules form as bound-fermion pairs). Density profiles in the trap are also obtained for all temperatures and couplings
Dipole modes of a superfluid Bose–Fermi mixture in the BCS-BEC crossover
International Nuclear Information System (INIS)
Wen, Wen; Chen, Bingyan; Zhang, Xuewu
2017-01-01
Motivated by the first experimental realization by the Ecole Normale Supérieure (ENS) group of a mixture of a Bose–Einstein condensate with a Fermi superfluid continuously changing from a Bardeen–Cooper–Schrieffer (BCS) superfluid to a Bose–Einstein condensate (BEC) (Ferrier-Barbut et al 2014 Science 345 1035), we analytically study the dipole modes of the superfluid Bose–Fermi mixture in the BCS-BEC crossover. The analytical approach can explicitly reveal relationships between the frequencies of the dipole modes and the microscopic properties of the novel system. We start from coupled hydrodynamic equations, where the equation of state for the Fermi superfluid in the crossover is an analytical fitting formula based on experimental data, and by using a scaling approach we analytically study eigenfrequencies of the dipole modes for the coupled system in the ENS experimental parameters. Without the boson–fermion interaction in the equilibrium density profiles, our theoretical results can be reduced to the mean-field model and is consistent with the experimental data. However, by further taking into account the boson–fermion interaction numerically and analytically, we find that the results disagree with the experiment, especially in the parameter regime where the boson interaction is smaller than the boson–fermion interaction. (paper)
Superfluidity and BCS-BEC crossover of ultracold atomic Fermi gases in mixed dimensions
Zhang, Leifeng; Chen, Qijin
Atomic Fermi gases have been under active investigation in the past decade. Here we study the superfluid and pairing phenomena of a two-component ultracold atomic Fermi gas in the presence of mixed dimensionality, in which one component is confined on a 1D optical lattice whereas the other is free in the 3D continuum. We assume a short-range pairing interaction and determine the superfluid transition temperature Tc and the phase diagram for the entire BCS-BEC crossover, using a pairing fluctuation theory which includes self-consistently the contributions of finite momentum pairs. We find that, as the lattice depth increases and the lattice spacing decreases, the behavior of Tc becomes very similar to that of a population imbalance Fermi gas in a simple 3D continuum. There is no superfluidity even at T = 0 below certain threshold of pairing strength in the BCS regime. Nonmonotonic Tc behavior and intermediate temperature superfluidity emerge, and for deep enough lattice, the Tc curve will split into two parts. Implications for experiment will be discussed. References: 1. Q.J. Chen, Ioan Kosztin, B. Janko, and K. Levin, Phys. Rev. B 59, 7083 (1999). 2. Chih-Chun Chien, Qijin Chen, Yan He, and K. Levin, Phys. Rev. Lett. 97, 090402(2006). Work supported by NSF of China and the National Basic Research Program of China.
Pisani, L.; Perali, A.; Pieri, P.; Strinati, G. Calvanese
2018-01-01
The problem of the theoretical description of the critical temperature Tc of a Fermi superfluid dates back to the work by Gorkov and Melik-Barkhudarov (GMB), who addressed it for a weakly coupled (dilute) superfluid in what would today be referred to as the (extreme) BCS (weak-coupling) limit of the BCS-BEC crossover. The point made in this context by GMB was that particle-particle (pairing) excitations, which are responsible for superfluidity to occur below Tc, and particle-hole excitations, which give rise to screening also in a normal system, get effectively disentangled from each other in the BCS limit, thus yielding a reduction by a factor of 2.2 of the value of Tc obtained when neglecting screening effects. Subsequent work on this topic, that was aimed at extending the original GMB argument away from the BCS limit with diagrammatic methods, has tout court kept this disentangling between pairing and screening throughout the BCS-BEC crossover, without realizing that the conditions for it to be valid are soon violated away from the BCS limit. Here, we reconsider this problem from a more general perspective and argue that pairing and screening are intrinsically entangled with each other along the whole BCS-BEC crossover but for the BCS limit considered by GMB, with the particle-hole excitations soon transmuting into particle-particle excitations away from this limit. We substantiate our argument by performing a detailed numerical calculation of the GMB diagrammatic contribution suitably extended to the whole BCS-BEC crossover, where the full wave-vector and frequency dependence occurring in the repeated in-medium two-particle scattering is duly taken into account. Our numerical calculations are tested against analytic results available in both the BCS and BEC limits, and the contribution of the GMB diagrammatic term to the scattering length of composite bosons in the BEC limit is highlighted. We calculate Tc throughout the BCS-BEC crossover and find that it
Effects of density imbalance on the BCS-BEC crossover in semiconductor electron-hole bilayers
International Nuclear Information System (INIS)
Pieri, P.; Strinati, G. C.; Neilson, D.
2007-01-01
We study the occurrence of excitonic superfluidity in electron-hole bilayers at zero temperature. We not only identify the crossover in the phase diagram from the BCS limit of overlapping pairs to the BEC limit of nonoverlapping tightly bound pairs but also, by varying the electron and hole densities independently, we can analyze a number of phases that occur mainly in the crossover region. With different electron and hole effective masses, the phase diagram is asymmetric with respect to excess electron or hole densities. We propose, as the criterion for the onset of superfluidity, the jump of the electron and hole chemical potentials when their densities cross
Comparison between a diagrammatic theory for the BCS-BEC crossover and quantum Monte Carlo results
International Nuclear Information System (INIS)
Pieri, P.; Pisani, L.; Strinati, G.C.
2005-01-01
Predictions for the chemical potential and the excitation gap recently obtained by our diagrammatic theory for the Bardeen-Cooper-Schreiffer-Bose-Einstein Condensation crossover in the superfluid phase are compared with quantum Monte Carlo results at zero temperature now available in the literature. A remarkable agreement is found between the results obtained by the two approaches
International Nuclear Information System (INIS)
Perali, A.; Pieri, P.; Strinati, G.C.
2004-01-01
Theoretical predictions for the Bardeen-Cooper-Schrieffer-Bose-Einstein condensation crossover of trapped Fermi atoms are compared with recent experimental results for the density profiles of L 6 i. The calculations rest on a single theoretical approach that includes pairing fluctuations beyond mean-field. Excellent agreement with experimental results is obtained. Theoretical predictions for the zero-temperature chemical potential and gap at the unitarity limit are also found to compare extremely well with Quantum Monte Carlo simulations and with recent experimental results
Phase diagram of dilute nuclear matter: Unconventional pairing and the BCS-BEC crossover
Energy Technology Data Exchange (ETDEWEB)
Stein, Martin; Sedrakian, Armen [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik
2013-07-01
We report on a comprehensive study of the phase structure of cold, dilute nuclear matter featuring a {sup 3}S{sub 1}-{sup 3}D{sub 1} condensate at non-zero isospin asymmetry, within wide ranges of temperatures and densities. We find a rich phase diagram comprising three superfluid phases, namely a LOFF phase, the ordinary BCS phase, and a heterogeneous, phase-separated BCS phase, with associated crossovers from the latter two phases to a homogeneous or phase-separated Bose-Einstein condensate of deuterons. The phase diagram contains two tri-critical points (one a Lifshitz point), which may degenerate into a single tetra-critical point for some degree of isospin asymmetry.
Simonucci, S.; Strinati, G. C.
2014-02-01
We derive a nonlinear differential equation for the gap parameter of a superfluid Fermi system by performing a suitable coarse graining of the Bogoliubov-de Gennes (BdG) equations throughout the BCS-BEC crossover, with the aim of replacing the time-consuming solution of the original BdG equations by the simpler solution of this novel equation. We perform a favorable numerical test on the validity of this new equation over most of the temperature-coupling phase diagram, by an explicit comparison with the full solution of the original BdG equations for an isolated vortex. We also show that the new equation reduces both to the Ginzburg-Landau equation for Cooper pairs in weak coupling close to the critical temperature and to the Gross-Pitaevskii equation for composite bosons in strong coupling at low temperature.
International Nuclear Information System (INIS)
Chien, C.-C.; Guo Hao; He Yan; Levin, K.
2010-01-01
This article presents a comparison of two finite-temperature BCS-Bose-Einstein condensation (BEC) crossover theories above the transition temperature: Nozieres-Schmitt-Rink (NSR) theory and finite-T extended BCS-Leggett theory. The comparison is cast in the form of numerical studies of the behavior of the fermionic spectral function both theoretically and as constrained by (primarily) radio frequency (rf) experiments. Both theories include pair fluctuations and exhibit pseudogap effects, although the nature of this pseudogap is very different. The pseudogap in finite-T extended BCS-Leggett theory is found to follow a BCS-like dispersion which, in turn, is associated with a broadened BCS-like self-energy, rather more similar to what is observed in high-temperature superconductors (albeit, for a d-wave case). The fermionic quasiparticle dispersion is different in NSR theory and the damping is considerably larger. We argue that the two theories are appropriate in different temperature regimes with the BCS-Leggett approach being more suitable nearer to condensation. There should, in effect, be little difference at higher T as the pseudogap becomes weaker and where the simplifying approximations used in the BCS-Leggett approach break down. On the basis of momentum-integrated rf studies of unpolarized gases, it would be difficult to distinguish which theory is the better one. A full comparison for polarized gases is not possible since it is claimed that there are inconsistencies in the NSR approach (not found in the BCS-Leggett scheme). Future experiments along the lines of momentum-resolved experiments look to be very promising in distinguishing the two theories.
BCS-BEC crossover in dense relativistic matter: Collective excitations
Czech Academy of Sciences Publication Activity Database
Brauner, Tomáš
2008-01-01
Roč. 77, č. 9 (2008), 096006/1-096006/11 ISSN 1550-7998 R&D Projects: GA ČR GA202/06/0734 Institutional research plan: CEZ:AV0Z10480505 Keywords : quark matter * dynamical model * gross-neveu Subject RIV: BE - Theoretical Physics Impact factor: 5.050, year: 2008
Inhomogeneous condensates in dilute nuclear matter and BCS-BEC crossovers
International Nuclear Information System (INIS)
Stein, Martin; Sedrakian, Armen; Huang, Xu-Guang; Clark, John W; Röpke, Gerd
2014-01-01
We report on recent progress in understanding pairing phenomena in low-density nuclear matter at small and moderate isospin asymmetry. A rich phase diagram has been found comprising various superfluid phases that include a homogeneous and phase-separated BEC phase of deuterons at low density and a homogeneous BCS phase, an inhomogeneous LOFF phase, and a phase-separated BCS phase at higher densities. The transition from the BEC phases to the BCS phases is characterized in terms of the evolution, from strong to weak coupling, of the condensate wavefunction and the second moment of its density distribution in r-space. We briefly discuss approaches to higher-order clustering in low-density nuclear matter.
International Nuclear Information System (INIS)
Mizushima, T.; Machida, K.
2010-01-01
We investigate how the vortex-vortex separation changes Majorana zero modes in the vicinity of the BCS-BEC (Bose-Einstein condensation) topological phase transition of p-wave resonant Fermi gases. By analytically and numerically solving the Bogoliubov-de Gennes equation for spinless p-wave superfluids with plural vortices, it is demonstrated that the quasiparticle tunneling between neighboring vortices gives rise to the quantum oscillation of the low-lying spectra on the scale of the Fermi wavelength in addition to the exponential splitting. This rapid oscillation, which appears in the weak-coupling regime as a consequence of quantum oscillations of quasiparticle wave functions, disappears in the vicinity of the BCS-BEC topological phase transition. This is understandable from that the wave function of the Majorana zero modes is described by the modified Bessel function in the strong-coupling regime, and thus it becomes spread over the vortex core region. Due to the exponential divergence of the modified Bessel function, the concrete realization of the Majorana zero modes near the topological phase transition requires the neighboring vortices to be separated beyond the length scale defined by the coherence length and the dimensionless coupling constant. All these behaviors are also confirmed by carrying out the full numerical diagonalization of the nonlocal Bogoliubov-de Gennes equation in a two-dimensional geometry. Furthermore, this argument is expanded into the case of three-vortex systems, where a pair of core-bound and edge-bound Majorana states survive at zero-energy state regardless of the vortex separation.
Shell-model Monte Carlo simulations of the BCS-BEC crossover in few-fermion systems
DEFF Research Database (Denmark)
Zinner, Nikolaj Thomas; Mølmer, Klaus; Özen, C.
2009-01-01
We study a trapped system of fermions with a zero-range two-body interaction using the shell-model Monte Carlo method, providing ab initio results for the low particle number limit where mean-field theory is not applicable. We present results for the N-body energies as function of interaction...
Fomin, Yu D.; Ryzhov, V. N.; Tsiok, E. N.; Proctor, J. E.; Prescher, C.; Prakapenka, V. B.; Trachenko, K.; Brazhkin, V. V.
2018-04-01
We review recent work aimed at understanding dynamical and thermodynamic properties of liquids and supercritical fluids. The focus of our discussion is on solid-like transverse collective modes, whose evolution in the supercritical fluids enables one to discuss the main properties of the Frenkel line separating rigid liquid-like and non-rigid gas-like supercritical states. We subsequently present recent experimental evidence of the Frenkel line showing that structural and dynamical crossovers are seen at a pressure and temperature corresponding to the line as predicted by theory and modelling. Finally, we link dynamical and thermodynamic properties of liquids and supercritical fluids by the new calculation of liquid energy governed by the evolution of solid-like transverse modes. The disappearance of those modes at high temperature results in the observed decrease of heat capacity.
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
International Nuclear Information System (INIS)
Zanchini, E.
1988-01-01
The definition of energy, in thermodynamics, is dependent by starting operative definitions of the basic concepts of physics on which it rests, such as those of isolated systems, ambient of a system, separable system and set of separable states. Then the definition of energy is rigorously extended to open systems. The extension gives a clear physical meaning to the concept of energy difference between two states with arbitrary different compositions
International Nuclear Information System (INIS)
Schuster, R.M.; Luria, N.G.
1977-01-01
This invention concerns an electric crossover that makes a steam and pressure-tight seal for a conductor crossing two separate walls of a nuclear reactor vessel that seismic tremors or thermal expansion of the walls and conductor subject to relative displacements. The conductors, that have to cross the vessels, are fixed to the walls of the vessel in crossover systems fitted in crossover channels made in the walls of the vessel on their initial manufacture. The separate walls of the vessel move independently when they undergo an earth tremor or a temperature change between the walls or between the conductor. This shift can damage the conductor or the crossover system and this could give rise to cause steam or other materials to leak in the reactor should leaks occur in the primary system. Furthermore, in the case of medium or high power conductors, which are relatively rigid, the non-alignment of the crossover channels can bring about awkward stresses in the conductors or their protective sheathing. The aims of this invention are fulfilled by designing an electric crossover to pass at least one conductor through the two separate walls of a vessels, that includes an initial sub-assembly crossover, secured in a leak-tight manner to the first wall and a second sub-sessembly crossover in sliding or rolling contact with the second wall, whilst forming a leak-tight seal with it [fr
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.
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
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.
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
Strongly interacting Fermi systems in 1/N expansion: From cold atoms to color superconductivity
Czech Academy of Sciences Publication Activity Database
Abuki, H.; Brauner, Tomáš
2008-01-01
Roč. 78, č. 12 (2008), 125010/1-125010/13 ISSN 1550-7998 R&D Projects: GA ČR GA202/06/0734 Institutional research plan: CEZ:AV0Z10480505 Keywords : BCS-BEC crossover * Unitary Fermi gas * Quark matter Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 5.050, year: 2008
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
Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan
2014-04-07
Single crystals of a metal organic complex (C5H12N)CuBr3 (C5H12N = piperidinium, pipH for short) have been synthesized, and the structure was determined by single-crystal X-ray diffraction. (pipH)CuBr3 crystallizes in the monoclinic group C2/c. Edging-sharing CuBr5 units link to form zigzag chains along the c axis, and the neighboring Cu(II) ions with spin-1/2 are bridged by bibromide ions. Magnetic susceptibility data down to 1.8 K can be well fitted by the Bonner-Fisher formula for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant J ≈ -17 K. At zero field, (pipH)CuBr3 shows three-dimensional (3D) order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant J' = -0.91 K is obtained and the ordered magnetic moment m0 is about 0.23 μB. This value of m0 makes (pipH)CuBr3 a rare compound suitable to study the 1D-3D dimensional cross-over problem in magnetism, since both 3D order and one-dimensional (1D) quantum fluctuations are prominent. In addition, specific heat measurements reveal two successive magnetic transitions with lowering temperature when external field μ0H ≥ 3 T is applied along the a' axis. The μ0H-T phase diagram of (pipH)CuBr3 is roughly constructed.
Dimensional crossover in fragmentation
Sotolongo-Costa, Oscar; Rodriguez, Arezky H.; Rodgers, G. J.
2000-11-01
Experiments in which thick clay plates and glass rods are fractured have revealed different behavior of fragment mass distribution function in the small and large fragment regions. In this paper we explain this behavior using non-extensive Tsallis statistics and show how the crossover between the two regions is caused by the change in the fragments’ dimensionality during the fracture process. We obtain a physical criterion for the position of this crossover and an expression for the change in the power-law exponent between the small and large fragment regions. These predictions are in good agreement with the experiments on thick clay plates.
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...
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
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...
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
A parametric model for the global thermodynamic behavior of fluids in the critical region
International Nuclear Information System (INIS)
Luettmer-Strathmann, J.; Tang, S.; Sengers, J.V.
1992-01-01
The asymptotic thermodynamic behavior of fluids near the critical point is described by scaling laws with universal scaling functions that can be represented by parametric equations. In this paper, we derive a more general parametric model that incorporates the crossover from singular thermodynamic behavior near the critical point to regular classical thermodynamic behavior far away from the critical point. Using ethane as an example, we show that such a parametric crossover model yields an accurate representation of the thermodynamic properties of fluids in a large region around the critical point
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
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...
Extracting the Condensate Density from Projection Experiments with Fermi Gases
International Nuclear Information System (INIS)
Perali, A.; Pieri, P.; Strinati, G.C.
2005-01-01
A debated issue in the physics of the BCS-BEC crossover with trapped Fermi atoms is to identify characteristic properties of the superfluid phase. Recently, a condensate fraction was measured on the BCS side of the crossover by sweeping the system in a fast (nonadiabatic) way from the BCS to the Bose-Einstein condensation (BEC) sides, thus 'projecting' the initial many-body state onto a molecular condensate. We analyze here the theoretical implications of these projection experiments, by identifying the appropriate quantum-mechanical operator associated with the measured quantities and relating them to the many-body correlations occurring in the BCS-BEC crossover. Calculations are presented over wide temperature and coupling ranges, by including pairing fluctuations on top of the mean field
Schrödinger, Erwin
1952-01-01
Nobel Laureate's brilliant attempt to develop a simple, unified standard method of dealing with all cases of statistical thermodynamics - classical, quantum, Bose-Einstein, Fermi-Dirac, and more.The work also includes discussions of Nernst theorem, Planck's oscillator, fluctuations, the n-particle problem, problem of radiation, much more.
STAR POLYMERS IN GOOD SOLVENTS FROM DILUTE TO CONCENTRATED REGIMES: CROSSOVER APPROACH
Directory of Open Access Journals (Sweden)
S.B.Kiselev
2002-01-01
Full Text Available An introduction is given to the crossover theory of the conformational and thermodynamic properties of star polymers in good solvents. The crossover theory is tested against Monte Carlo simulation data for the structure and thermodynamics of model star polymers. In good solvent conditions, star polymers approach a "universal" limit as N → ∞, however, there are two types of approach towards this limit. In the dilute regime, a critical degree of polymerization N* is found to play a similar role as the Ginzburg number in the crossover theory for critical phenomena in simple fluids. A rescaled penetration function is found to control the free energy of star polymer solutions in the dilute and semidilute regions. This equation of state captures the scaling behaviour of polymer solutions in the dilute/semidilute regimes and also performs well in the concentrated regimes, where the details of the monomer-monomer interactions become important.
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...
Induced interactions in a superfluid Bose-Fermi mixture
DEFF Research Database (Denmark)
Kinnunen, Jami; Bruun, Georg
2015-01-01
We analyze a Bose-Einstein condensate (BEC) mixed with a superfluid two-component Fermi gas in the whole BCS-BEC crossover. Using a quasiparticle random-phase approximation combined with Beliaev theory to describe the Fermi superfluid and the BEC, respectively, we show that the single-particle an......We analyze a Bose-Einstein condensate (BEC) mixed with a superfluid two-component Fermi gas in the whole BCS-BEC crossover. Using a quasiparticle random-phase approximation combined with Beliaev theory to describe the Fermi superfluid and the BEC, respectively, we show that the single...... shift in the excitation spectrum of the BEC. In addition, the excitation of quasiparticles in the Fermi superfluid leads to damping of the excitations in the BEC. Besides studying induced interactions themselves, we can use these prominent effects to systematically probe the strongly interacting Fermi...
International Nuclear Information System (INIS)
Gomez Palacio, German Rau
1998-01-01
Ecology is no more a descriptive and self-sufficient science. Many viewpoints are needed simultaneously to give a full coverage of such complex systems: ecosystems. These viewpoints come from physics, chemistry, and nuclear physics, without a new far from equilibrium thermodynamics and without new mathematical tools such as catastrophe theory, fractal theory, cybernetics and network theory, the development of ecosystem science would never have reached the point of today. Some ideas are presented about the importance that concept such as energy, entropy, exergy information and none equilibrium have in the analysis of processes taking place in ecosystems
Directory of Open Access Journals (Sweden)
Latif Gachkar
2017-01-01
Full Text Available Abstract Cross-Over Clinical Trials in comparison with Parallel groups clinical trials have some advantages such as control of confounding variables, small sample size, and short time to implement the research project. But this type of research has few essential limitations that discusses in this monogram.
de Oliveira, Mário J
2017-01-01
This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...
Dimensional crossover in directed percolation
International Nuclear Information System (INIS)
Chame, A.M.N.; Queiroz, S.L.A. de; Santos, Raimundo R. dos.
1984-04-01
We study the dimensional crossover in directed percolation in three dimensions. Bonds are allowed to have different concentrations along the three cartesian axes of the lattice. Through a Position Space Renormalization Group we obtain the phase-diagrama where non-percolating, 1-D, 2-D and 3-D percolating phases are present. We find that the isotropic fixed points are unstable with respect to anisotropy, thus driving the system into a different universality class. (author) [pt
Thermodynamics of Radiation Modes
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…
Polaron crossover in molecular solids
International Nuclear Information System (INIS)
Zoli, Marco; Das, A N
2004-01-01
An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large and a small size polaron is monitored, in one, two and three dimensions and for different values of the adiabatic parameter, through the behaviour of the effective mass as a function of the electron-phonon coupling. By increasing the strength of the intermolecular forces the crossover becomes smoother and occurs at higher e-ph couplings. These effects are more evident in three dimensions. We show that our modified Lang-Firsov method starts to capture the occurrence of a polaron self-trapping transition when the electron energies become of order of the phonon energies. The self-trapping event persists in the fully adiabatic regime. At the crossover we estimate polaron effective masses of order ∼ 5-40 times the bare band mass according to the dimensionality and the value of the adiabatic parameter. Modified Lang-Firsov polaron masses are substantially reduced in two and three dimensions. There is no self-trapping in the antiadiabatic regime
Mathematical foundations of thermodynamics
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
Thermodynamic tables to accompany Modern engineering thermodynamics
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.
The dynamical crossover in attractive colloidal systems
Energy Technology Data Exchange (ETDEWEB)
Mallamace, Francesco [Dipartimento di Fisica e Scienze della Terra, Università di Messina and CNISM, I-98168 Messina (Italy); Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Corsaro, Carmelo [Dipartimento di Fisica e Scienze della Terra, Università di Messina and CNISM, I-98168 Messina (Italy); Stanley, H. Eugene [Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States); Mallamace, Domenico [Dipartimento di Scienze dell’Ambiente, della Sicurezza, del Territorio, degli Alimenti e della Salute, Università di Messina, I-98166 Messina (Italy); Chen, Sow-Hsin [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)
2013-12-07
We study the dynamical arrest in an adhesive hard-sphere colloidal system. We examine a micellar suspension of the Pluronic-L64 surfactant in the temperature (T) and volume fraction (ϕ) phase diagram. According to mode-coupling theory (MCT), this system is characterized by a cusp-like singularity and two glassy phases: an attractive glass (AG) phase and a repulsive glass (RG) phase. The T − ϕ phase diagram of this system as confirmed by a previous series of scattering data also exhibits a Percolation Threshold (PT) line, a reentrant behavior (AG-liquid-RG), and a glass-to-glass transition. The AG phase can be generated out of the liquid phase by using T and ϕ as control parameters. We utilize viscosity and nuclear magnetic resonance (NMR) techniques. NMR data confirm all the characteristic properties of the colloidal system phase diagram and give evidence of the onset of a fractal-like percolating structure at a precise threshold. The MCT scaling laws used to study the shear viscosity as a function of ϕ and T show in both cases a fragile-to-strong liquid glass-forming dynamic crossover (FSC) located near the percolation threshold where the clustering process is fully developed. These results suggest a larger thermodynamic generality for this phenomenon, which is usually studied only as a function of the temperature. We also find that the critical values of the control parameters, coincident with the PT line, define the locus of the FSC. In the region between the FSC and the glass transition lines the system dynamics are dominated by clustering effects. We thus demonstrate that it is possible, using the conceptual framework provided by extended mode-coupling theory, to describe the way a system approaches dynamic arrest, taking into account both cage and hopping effects.
Classical and statistical thermodynamics
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.
Thermodynamical Aspects of Modified Holographic Dark Energy Model
International Nuclear Information System (INIS)
Li Hui; Zhang Yi
2014-01-01
We investigate the unified first law and the generalized second law in a modified holographic dark energy model. The thermodynamical analysis on the apparent horizon can work and the corresponding entropy formula is extracted from the systematic algorithm. The entropy correction term depends on the extra-dimension number of the brane as expected, but the interplay between the correction term and the extra dimensions is more complicated. With the unified first law of thermodynamics well-founded, the generalized second law of thermodynamics is discussed and it is found that the second law can be violated in certain circumstances. Particularly, if the number of the extra dimensions is larger than one, the generalized law of thermodynamics is always satisfied; otherwise, the validity of the second law can only be guaranteed with the Hubble radius greatly smaller than the crossover scale r c of the 5-dimensional DGP model. (geophysics, astronomy, and astrophysics)
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
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
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
Introduction to applied thermodynamics
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
Twenty lectures on thermodynamics
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
Rational extended thermodynamics
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...
An introduction to equilibrium thermodynamics
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
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.
Thermodynamics of Bioreactions.
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.
Thermodynamically efficient solar concentrators
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.
Black Holes and Thermodynamics
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...
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
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
24 CFR 3285.701 - Electrical crossovers.
2010-04-01
... URBAN DEVELOPMENT MODEL MANUFACTURED HOME INSTALLATION STANDARDS Electrical Systems and Equipment § 3285.701 Electrical crossovers. Multi-section homes with electrical wiring in more than one section require... installation instructions. ...
Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement
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.
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
Quantum phase crossovers with finite atom number in the Dicke model
International Nuclear Information System (INIS)
Hirsch, J G; Castaños, O; Nahmad-Achar, E; López-Peña, R
2013-01-01
Two-level atoms interacting with a one-mode cavity field at zero temperature have order parameters which reflect the presence of a quantum phase transition at a critical value of the atom–cavity coupling strength. Two popular examples are the number of photons inside the cavity and the number of excited atoms. Coherent states provide a mean field description, which becomes exact in the thermodynamic limit. Employing symmetry-adapted (SA) SU(2) coherent states the quantum crossover, precursor of the critical behavior, can be described for a finite number of atoms. A variation after projection treatment, involving a numerical minimization of the SA energy surface, associates the quantum crossover with a discontinuity in the order parameters, which originates from competition between two local minima in the SA energy surface. Although this discontinuity is not present in finite systems, it provides a good description of 1/N effects in the observables. (paper)
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...
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.)
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)
Equilibrium thermodynamics - Callen's postulational approach
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
Applied chemical engineering thermodynamics
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.
Thermodynamics an engineering approach
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...
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
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
Advanced thermodynamics engineering
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
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
Non-equilibrium thermodynamics
De Groot, Sybren Ruurds
1984-01-01
The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn
Thermodynamics of quantum strings
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)
Modern engineering thermodynamics
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
Theoretical physics 5 thermodynamics
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...
Elements of chemical thermodynamics
Nash, Leonard K
2005-01-01
This survey of purely thermal data in calculating the position of equilibrium in a chemical reaction highlights the physical content of thermodynamics, as distinct from purely mathematical aspects. 1970 edition.
Elements of statistical thermodynamics
Nash, Leonard K
2006-01-01
Encompassing essentially all aspects of statistical mechanics that appear in undergraduate texts, this concise, elementary treatment shows how an atomic-molecular perspective yields new insights into macroscopic thermodynamics. 1974 edition.
Electrochemical thermodynamic measurement system
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.
Workshop on Teaching Thermodynamics
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 ...
International Nuclear Information System (INIS)
Bekenstein, J.D.
1980-01-01
Including black holes in the scheme of thermodynamics has disclosed a deep-seated connection between gravitation, heat and the quantum that may lead us to a synthesis of the corresponding branches of physics
Polyelectrolytes thermodynamics and rheology
P M, Visakh; Picó, Guillermo Alfredo
2014-01-01
This book discusses current development of theoretical models and experimental findings on the thermodynamics of polyelectrolytes. Particular emphasis is placed on the rheological description of polyelectrolyte solutions and hydrogels.
Crossover transition in the fluctuation of Internet
Qian, Jiang-Hai
2018-06-01
The inconsistent fluctuation behavior of Internet predicted by preferential attachment(PA) and Gibrat's law requires empirical investigations on the actual system. By using the interval-tunable Gibrat's law statistics, we find the actual fluctuation, characterized by the conditional standard deviation of the degree growth rate, changes with the interval length and displays a crossover transition from PA type to Gibrat's law type, which has not yet been captured by any previous models. We characterize the transition dynamics quantitatively and determine the applicative range of PA and Gibrat's law. The correlation analysis indicates the crossover transition may be attributed to the accumulative correlation between the internal links.
A New Perspective on Thermodynamics
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...
Gravity as a thermodynamic phenomenon
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.
Scaling and crossover in a fermion-boson mixture
International Nuclear Information System (INIS)
Singh, K.K.
1987-01-01
Thermodynamic behaviour of a mixture of weakly interacting fermions and bosons is investigated in (4 - ε) dimensions by the renormalization group method with a view to study scaling and crossover properties of the system in the tricritical region. Conventional tricritical scaling, first found to breakdown for a classical infinite-component model, is seen to do so more spectacularly in the case of the mixture. Whereas in the infinite-component model, conventional scaling holds in the ordered and disordered phases separately (i.e. with different tricritical exponents), no such thing is possible in either of the phases of the mixture. The breakdown of scaling in the mixture is associated with the dimensionless strength v 6 of the 6-point interaction in the effective Hamiltonian which causes the parameters of the renormalized Hamiltonian to depend on two combinations of scaling fields rather than one. The strength v 6 is a quantum mechanical parameter being proportional in 3 dimensions to (b 3 /λ T 4 K F ) where λ T , K F and b denote, respectively, the boson thermal wavelength, the Fermi momentum of the fermion component and the scattering length associated with the fermion-boson interaction. The square root of this quantity agrees with the non-universality parameter which was found to characterize tricritical amplitude ratios in 3 dimensions in an earlier work. (author). 19 refs, 8 figs
Recent advances of spin crossover research
Gutlich, P; van Koningsbruggen, PJ; Renz, F; Schonherr, T
2004-01-01
Thermal spin transition (spin crossover), one of the most fascinating dynamic electronic structure phenomena occurring in coordination compounds of third row transition metal ions, mostly of iron(II), iron(III) and cobalt(II) with critical ligand field strengths competing with the spin pairing
Optimal design of work zone median crossovers.
2010-09-01
The use of temporary median crossovers in work zones allows for the closure of one side of a multi-lane roadway while : maintaining two-way traffic on the opposite side. This process provides the ability for construction and maintenance crews : to co...
Thermodynamics of an Attractive 2D Fermi Gas
Fenech, K.; Dyke, P.; Peppler, T.; Lingham, M. G.; Hoinka, S.; Hu, H.; Vale, C. J.
2016-01-01
Thermodynamic properties of matter are conveniently expressed as functional relations between variables known as equations of state. Here we experimentally determine the compressibility, density, and pressure equations of state for an attractive 2D Fermi gas in the normal phase as a function of temperature and interaction strength. In 2D, interacting gases exhibit qualitatively different features to those found in 3D. This is evident in the normalized density equation of state, which peaks at intermediate densities corresponding to the crossover from classical to quantum behavior.
A nucleon-pair and boson coexistent description of nuclei
Dai, Lianrong; Pan, Feng; Draayer, J. P.
2017-07-01
We study a mixture of s-bosons and like-nucleon pairs with the standard pairing interaction outside an inert core. Competition between the nucleon-pairs and s-bosons is investigated in this scenario. The robustness of the BCS-BEC coexistence and crossover phenomena are examined through an analysis of pf-shell nuclei with realistic single-particle energies, in which two configurations with Pauli blocking of nucleon-pair orbits due to the formation of the s-bosons is taken into account. When the nucleon-pair orbits are considered to be independent of the s-bosons, the BCS-BEC crossover becomes smooth, with the number of the s-bosons noticeably more than that of the nucleon-pairs near the half-shell point, a feature that is demonstrated in the pf-shell for several values of the standard pairing interaction strength. As a further test of the robustness of the BCS-BEC coexistence and crossover phenomena in nuclei, results are given for values of even-even 102-130Sn with 100Sn taken as a core and valence neutron pairs confined within the 1d 5/2, 0g 7/2, 1d 3/2, 2s 1/2, 1h 11/2 orbits in the nucleon-pair orbit and the s-boson independent approximation. The results indicate that the B(E2) values are reproduced well. Supported by National Natural Science Foundation of China (11375080, 11675071), the U.S. National Science Foundation (OCI-0904874 and ACI-1516338), U. S. Department of Energy (DE-SC0005248), the Southeastern Universities Research Association, the China-U. S. Theory Institute for Physics with Exotic Nuclei (CUSTIPEN) (DE-SC0009971), and the LSU-LNNU joint research program (9961) is acknowledged
Directory of Open Access Journals (Sweden)
Marco Barchi
2008-05-01
Full Text Available During meiosis in most sexually reproducing organisms, recombination forms crossovers between homologous maternal and paternal chromosomes and thereby promotes proper chromosome segregation at the first meiotic division. The number and distribution of crossovers are tightly controlled, but the factors that contribute to this control are poorly understood in most organisms, including mammals. Here we provide evidence that the ATM kinase or protein is essential for proper crossover formation in mouse spermatocytes. ATM deficiency causes multiple phenotypes in humans and mice, including gonadal atrophy. Mouse Atm-/- spermatocytes undergo apoptosis at mid-prophase of meiosis I, but Atm(-/- meiotic phenotypes are partially rescued by Spo11 heterozygosity, such that ATM-deficient spermatocytes progress to meiotic metaphase I. Strikingly, Spo11+/-Atm-/- spermatocytes are defective in forming the obligate crossover on the sex chromosomes, even though the XY pair is usually incorporated in a sex body and is transcriptionally inactivated as in normal spermatocytes. The XY crossover defect correlates with the appearance of lagging chromosomes at metaphase I, which may trigger the extensive metaphase apoptosis that is observed in these cells. In addition, control of the number and distribution of crossovers on autosomes appears to be defective in the absence of ATM because there is an increase in the total number of MLH1 foci, which mark the sites of eventual crossover formation, and because interference between MLH1 foci is perturbed. The axes of autosomes exhibit structural defects that correlate with the positions of ongoing recombination. Together, these findings indicate that ATM plays a role in both crossover control and chromosome axis integrity and further suggests that ATM is important for coordinating these features of meiotic chromosome dynamics.
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
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...
Extended Irreversible Thermodynamics
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...
Statistical thermodynamics of alloys
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 ...
Thermodynamics of Crystalline States
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...
Some Recent Progress on Quark Pairings in Dense Quark and Nuclear Matter
International Nuclear Information System (INIS)
Pang Jinyi; Wang Jincheng; Wang Qun
2012-01-01
In this review article we give a brief overview on some recent progress in quark pairings in dense quark/nuclear matter mostly developed in the past five years. We focus on following aspects in particular: the BCS-BEC crossover in the CSC phase, the baryon formation and dissociation in dense quark/nuclear matter, the Ginzburg-Landau theory for three-flavor dense matter with U A (1) anomaly, and the collective and Nambu-Goldstone modes for the spin-one CSC. (physics of elementary particles and fields)
Concise chemical thermodynamics
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
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
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.
Mechanics, Waves and Thermodynamics
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.
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
Dimensional crossover in fluids under nanometer-scale confinement.
Das, Amit; Chakrabarti, J
2012-05-01
Several earlier studies have shown signatures of crossover in various static and dynamics properties of a confined fluid when the confining dimension decreases to about a nanometer. The density fluctuations govern the majority of such properties of a fluid. Here, we illustrate the crossover in density fluctuation in a confined fluid, to provide a generic understanding of confinement-induced crossover of fluid properties, using computer simulations. The crossover can be understood as a manifestation of changes in the long-wavelength behavior of fluctuation in density due to geometrical constraints. We further show that the confining potential significantly affects the crossover behavior.
Experimental thermodynamics experimental thermodynamics of non-reacting fluids
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
Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.
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)
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
Chiral crossover transition in a finite volume
Shi, Chao; Jia, Wenbao; Sun, An; Zhang, Liping; Zong, Hongshi
2018-02-01
Finite volume effects on the chiral crossover transition of strong interactions at finite temperature are studied by solving the quark gap equation within a cubic volume of finite size L. With the anti-periodic boundary condition, our calculation shows the chiral quark condensate, which characterizes the strength of dynamical chiral symmetry breaking, decreases as L decreases below 2.5 fm. We further study the finite volume effects on the pseudo-transition temperature {T}{{c}} of the crossover, showing a significant decrease in {T}{{c}} as L decreases below 3 fm. Supported by National Natural Science Foundation of China (11475085, 11535005, 11690030, 51405027), the Fundamental Research Funds for the Central Universities (020414380074), China Postdoctoral Science Foundation (2016M591808) and Open Research Foundation of State Key Lab. of Digital Manufacturing Equipment & Technology in Huazhong University of Science & Technology (DMETKF2015015)
Fluctuating Thermodynamics for Biological Processes
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.
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.
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.
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
Thermodynamics and statistical mechanics
Landsberg, Peter T
1990-01-01
Exceptionally articulate treatment combines precise mathematical style with strong physical intuition. Wide range of applications includes negative temperatures, negative heat capacities, special and general relativistic effects, black hole thermodynamics, gravitational collapse, more. Over 100 problems with worked solutions. Advanced undergraduate, graduate level. Table of applications. Useful formulas and other data.
Thermodynamic stabilization of colloids
Stol, R.J.; Bruyn, P.L. de
An analysis is given of the conditions necessary for obtaining a thermodynamically stable dispersion (TSD) of solid particles in a continuous aqueous solution phase. The role of the adsorption of potential-determining ions at the planar interface in lowering the interfacial free energy (γ) to
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.
Thermodynamics applied. Where? Why?
Hirs, Gerard
2003-01-01
In recent years, thermodynamics has been applied in a number of new fields leading to a greater societal impact. This paper gives a survey of these new fields and the reasons why these applications are important. In addition, it is shown that the number of fields could be even greater in the future
Thermodynamics, applied. : Where? why?
Hirs, Gerard
1999-01-01
In recent years thermodynamics has been applied in a number of new fields leading to a greater societal impact. The paper gives a survey of these new fields and the reasons why these applications are important. In addition it is shown that the number of fields could be even greater in the future and
Nonequilibrium thermodynamics of nucleation
Schweizer, M.; Sagis, L.M.C.
2014-01-01
We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a
Debbasch, F.
2011-01-01
The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…
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.)
Thermodynamics Far from the Thermodynamic Limit.
de Miguel, Rodrigo; Rubí, J Miguel
2017-11-16
Understanding how small systems exchange energy with a heat bath is important to describe how their unique properties can be affected by the environment. In this contribution, we apply Landsberg's theory of temperature-dependent energy levels to describe the progressive thermalization of small systems as their spectrum is perturbed by a heat bath. We propose a mechanism whereby the small system undergoes a discrete series of excitations and isentropic spectrum adjustments leading to a final state of thermal equilibrium. This produces standard thermodynamic results without invoking system size. The thermal relaxation of a single harmonic oscillator is analyzed as a model example of a system with a quantized spectrum than can be embedded in a thermal environment. A description of how the thermal environment affects the spectrum of a small system can be the first step in using environmental factors, such as temperature, as parameters in the design and operation of nanosystem properties.
Regulation of spatial selectivity by crossover inhibition.
Cafaro, Jon; Rieke, Fred
2013-04-10
Signals throughout the nervous system diverge into parallel excitatory and inhibitory pathways that later converge on downstream neurons to control their spike output. Converging excitatory and inhibitory synaptic inputs can exhibit a variety of temporal relationships. A common motif is feedforward inhibition, in which an increase (decrease) in excitatory input precedes a corresponding increase (decrease) in inhibitory input. The delay of inhibitory input relative to excitatory input originates from an extra synapse in the circuit shaping inhibitory input. Another common motif is push-pull or "crossover" inhibition, in which increases (decreases) in excitatory input occur together with decreases (increases) in inhibitory input. Primate On midget ganglion cells receive primarily feedforward inhibition and On parasol cells receive primarily crossover inhibition; this difference provides an opportunity to study how each motif shapes the light responses of cell types that play a key role in visual perception. For full-field stimuli, feedforward inhibition abbreviated and attenuated responses of On midget cells, while crossover inhibition, though plentiful, had surprisingly little impact on the responses of On parasol cells. Spatially structured stimuli, however, could cause excitatory and inhibitory inputs to On parasol cells to increase together, adopting a temporal relation very much like that for feedforward inhibition. In this case, inhibitory inputs substantially abbreviated a cell's spike output. Thus inhibitory input shapes the temporal stimulus selectivity of both midget and parasol ganglion cells, but its impact on responses of parasol cells depends strongly on the spatial structure of the light inputs.
Single-crossover recombination in discrete time.
von Wangenheim, Ute; Baake, Ellen; Baake, Michael
2010-05-01
Modelling the process of recombination leads to a large coupled nonlinear dynamical system. Here, we consider a particular case of recombination in discrete time, allowing only for single crossovers. While the analogous dynamics in continuous time admits a closed solution (Baake and Baake in Can J Math 55:3-41, 2003), this no longer works for discrete time. A more general model (i.e. without the restriction to single crossovers) has been studied before (Bennett in Ann Hum Genet 18:311-317, 1954; Dawson in Theor Popul Biol 58:1-20, 2000; Linear Algebra Appl 348:115-137, 2002) and was solved algorithmically by means of Haldane linearisation. Using the special formalism introduced by Baake and Baake (Can J Math 55:3-41, 2003), we obtain further insight into the single-crossover dynamics and the particular difficulties that arise in discrete time. We then transform the equations to a solvable system in a two-step procedure: linearisation followed by diagonalisation. Still, the coefficients of the second step must be determined in a recursive manner, but once this is done for a given system, they allow for an explicit solution valid for all times.
Crossover of coherent Rabi oscillations in graphene
International Nuclear Information System (INIS)
Enamullah; Kumar, Vipin; Setlur, Girish S.
2012-01-01
We study the phenomenon of crossover of Rabi oscillations in graphene as a function of detuning - the difference between the frequency of the incident wave and interband energy (2v F |k|). It is shown by comparison with an exactly solved model with bands having linear dispersion but lacking pseudospin that this crossover is unique to graphene, attributable to the pseudospin character of the graphene hamiltonian. A group theoretic argument for why this model is solvable is given. We compute the nonlinear current using our formalism, the main prediction being the threshold behavior (with exponent equal to 1/2) of the slowly varying part of the current in frequency domain with threshold frequency being 2ω R 2 /ω (‘anomalous’ Rabi frequency) where ω R is the Rabi frequency for zero detuning. The novelty of our approach is the introduction of an alternative to the rotating wave approximation (RWA) (called asymptotic RWA here) which is argued to be important in demonstrating this crossover. We provide an interpolation method between these two regimes, that shows novel phenomena attributable to harmonic generation. A fully numerical solution to the Bloch equations verifies the analytical results and the various approximation schemes.
Thermodynamics for the practicing engineer
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.
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
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.
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
Statistical Thermodynamics and Microscale Thermophysics
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.
International Nuclear Information System (INIS)
Bernhoeft, N.; Lander, G.H.; Colineau, E.
2003-01-01
An asymmetric shift in the position of the magnetic Bragg peak with respect to the fiducial lattice has been observed by resonant X-ray scattering in a diverse series of antiferromagnetic compounds. This apparent violation of Bragg's law is interpreted in terms of a dynamically phased order parameter. We demonstrate the use of this effect as a novel probe of fragile or dynamic thermodynamic order in strongly correlated electronic systems. In particular, fresh light is shed on the paradoxical situation encountered in URu 2 Si 2 where the measured entropy gain on passing through T Neel is incompatible with the ground state moment estimated by neutron diffraction. The intrinsic space-time averaging of the probe used to characterise the thermodynamic macroscopic state may play a crucial and previously neglected role. In turn, this suggests the further use of resonant X-ray scattering in investigations of systems dominated by quantum fluctuations. (author)
Demtröder, Wolfgang
2017-01-01
This introduction to classical mechanics and thermodynamics provides an accessible and clear treatment of the fundamentals. Starting with particle mechanics and an early introduction to special relativity this textbooks enables the reader to understand the basics in mechanics. The text is written from the experimental physics point of view, giving numerous real life examples and applications of classical mechanics in technology. This highly motivating presentation deepens the knowledge in a very accessible way. The second part of the text gives a concise introduction to rotational motion, an expansion to rigid bodies, fluids and gases. Finally, an extensive chapter on thermodynamics and a short introduction to nonlinear dynamics with some instructive examples intensify the knowledge of more advanced topics. Numerous problems with detailed solutions are perfect for self study.
Thermodynamical quantum information sharing
International Nuclear Information System (INIS)
Wiesniak, M.; Vedral, V.; Brukner, C.
2005-01-01
Full text: Thermodynamical properties fully originate from classical physics and can be easily measured for macroscopic systems. On the other hand, entanglement is a widely spoken feature of quantum physics, which allows to perform certain task with efficiency unavailable with any classical resource. Therefore an interesting question is whether we can witness entanglement in a state of a macroscopic sample. We show, that some macroscopic properties, in particular magnetic susceptibility, can serve as an entanglement witnesses. We also study a mutual relation between magnetic susceptibility and magnetisation. Such a complementarity exhibits quantum information sharing between these two thermodynamical quantities. Magnetization expresses properties of individual spins, while susceptibility might reveal non-classical correlations as a witness. Therefore, a rapid change of one of these two quantities may mean a phase transition also in terms of entanglement. The complementarity relation is demonstrated by an analytical solution of an exemplary model. (author)
A commentary on thermodynamics
Day, William Alan
1988-01-01
The aim of this book is to comment on, and clarify, the mathematical aspects of the theory of thermodynamics. The standard presentations of the subject are often beset by a number of obscurities associated with the words "state", "reversible", "irreversible", and "quasi-static". This book is written in the belief that such obscurities are best removed not by the formal axiomatization of thermodynamics, but by setting the theory in the wider context of a genuine field theory which incorporates the effects of heat conduction and intertia, and proving appropriate results about the governing differential equations of this field theory. Even in the simplest one-dimensional case it is a nontrivial task to carry through the details of this program, and many challenging problems remain open.
Thermodynamics of Crystalline States
Fujimoto, Minoru
2013-01-01
Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, 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. 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. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...
Thermodynamics of clan production
International Nuclear Information System (INIS)
Giovannini, Alberto; Lupia, Sergio; Ugoccioni, Roberto
2002-01-01
Scenarios for particle production in the GeV and TeV regions are reviewed. The expected increase with the c.m. energy of the average number of clans for the soft component and the decrease for the semihard one indicate possible classical and quantum behavior of gluons, respectively. Clan thermodynamics, discussed in the paper, appears as the natural framework to deal with such phenomena
Work reservoirs in thermodynamics
International Nuclear Information System (INIS)
Anacleto, Joaquim
2010-01-01
We stress the usefulness of the work reservoir in the formalism of thermodynamics, in particular in the context of the first law. To elucidate its usefulness, the formalism is then applied to the Joule expansion and other peculiar and instructive experimental situations, clarifying the concepts of configuration and dissipative work. The ideas and discussions presented in this study are primarily intended for undergraduate students, but they might also be useful to graduate students, researchers and teachers.
Work reservoirs in thermodynamics
Anacleto, Joaquim
2010-05-01
We stress the usefulness of the work reservoir in the formalism of thermodynamics, in particular in the context of the first law. To elucidate its usefulness, the formalism is then applied to the Joule expansion and other peculiar and instructive experimental situations, clarifying the concepts of configuration and dissipative work. The ideas and discussions presented in this study are primarily intended for undergraduate students, but they might also be useful to graduate students, researchers and teachers.
International Nuclear Information System (INIS)
Bonasera, A.; Latora, V.; Ploszajczak, M.
1996-07-01
The maximal Lyapunov exponents (LE) are calculated, starting from concepts of hydrodynamics. Analytical expressions for the LE can be found in ergodic limit by using results of the classical thermodynamics for a Boltzmann gas and for systems undergoing a second order phase transition. A recipe is given to measure LE in systems which might have a critical behavior, such as a Bose-Einstein condensation or a transition to a quark-gluon plasma. (author)
Advanced thermodynamic (exergetic) analysis
International Nuclear Information System (INIS)
Tsatsaronis, G; Morosuk, T
2012-01-01
Exergy analysis is a powerful tool for developing, evaluating and improving an energy conversion system. However, the lack of a formal procedure in using the results obtained by an exergy analysis is one of the reasons for exergy analysis not being very popular among energy practitioners. Such a formal procedure cannot be developed as long as the interactions among components of the overall system are not being taken properly into account. Splitting the exergy destruction into unavoidable and avoidable parts in a component provides a realistic measure of the potential for improving the thermodynamic efficiency of this component. Alternatively splitting the exergy destruction into endogenous and exogenous parts provides information on the interactions among system components. Distinctions between avoidable and unavoidable exergy destruction on one side and endogenous and exogenous exergy destruction on the other side allow the engineer to focus on the thermodynamic inefficiencies that can be avoided and to consider the interactions among system components. The avoidable endogenous and the avoidable exogenous exergy destruction provide the best guidance for improving the thermodynamic performance of energy conversion systems.
The discovery of thermodynamics
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.
Conversion of a Degenerate Fermi Gas of 6Li Atoms to a Molecular BEC
International Nuclear Information System (INIS)
Strecker, K.E.; Partridge, G.B.; Kamar, R.I.; Jack, M.W.; Hulet, R.G.
2005-01-01
Atomic Feshbach resonances have recently been used to produce a strongly interacting Fermi gas, where the BCS/BEC crossover can be explored. We have used both narrow and broad Feshbach resonances to convert a quantum degenerate Fermi gas of 6Li atoms into an ultracold gas of Li2 molecules. For the narrow resonances, the molecules are formed by coherent adiabatic passage through the resonance. We find that 50% of the atoms are converted to molecules. Furthermore, the lifetime of these molecules was measured to be surprisingly long, 1 s. We will discuss these measurements in the context of the present theoretical understanding. Molecules can also be formed using static fields near the broad Feshbach resonance. The lifetime of these molecules is again long, and sufficient to enable their evaporation to a Bose-Einstein condensate. Phase contrast images of the molecular condensate are presented. The BCS/BEC crossover may be explored by starting with a pure molecular condensate on the low-field side of the Feshbach resonance, and adiabatically changing the field to any final value around resonance. We combine this ability with optical spectroscopy on a bound-bound molecular transition to probe the nature of the many-body wavefunction in the crossover regime
The joy of six: how to control your crossovers.
Globus, Samuel T; Keeney, Scott
2012-03-30
Meiotic cells tightly regulate the number and distribution of crossovers to promote accurate chromosome segregation. Yokoo and colleagues uncover a metazoan-specific, cyclin-like protein that is crucial for crossover formation. They utilize this protein's unique properties to explore a remarkable example of biological numerology, whereby nearly every meiotic cell in C. elegans makes precisely six crossovers, one for each of its six chromosome pairs. Copyright © 2012 Elsevier Inc. All rights reserved.
Biogeography-Based Optimization with Orthogonal Crossover
Directory of Open Access Journals (Sweden)
Quanxi Feng
2013-01-01
Full Text Available Biogeography-based optimization (BBO is a new biogeography inspired, population-based algorithm, which mainly uses migration operator to share information among solutions. Similar to crossover operator in genetic algorithm, migration operator is a probabilistic operator and only generates the vertex of a hyperrectangle defined by the emigration and immigration vectors. Therefore, the exploration ability of BBO may be limited. Orthogonal crossover operator with quantization technique (QOX is based on orthogonal design and can generate representative solution in solution space. In this paper, a BBO variant is presented through embedding the QOX operator in BBO algorithm. Additionally, a modified migration equation is used to improve the population diversity. Several experiments are conducted on 23 benchmark functions. Experimental results show that the proposed algorithm is capable of locating the optimal or closed-to-optimal solution. Comparisons with other variants of BBO algorithms and state-of-the-art orthogonal-based evolutionary algorithms demonstrate that our proposed algorithm possesses faster global convergence rate, high-precision solution, and stronger robustness. Finally, the analysis result of the performance of QOX indicates that QOX plays a key role in the proposed algorithm.
Linear combinations come alive in crossover designs.
Shuster, Jonathan J
2017-10-30
Before learning anything about statistical inference in beginning service courses in biostatistics, students learn how to calculate the mean and variance of linear combinations of random variables. Practical precalculus examples of the importance of these exercises can be helpful for instructors, the target audience of this paper. We shall present applications to the "1-sample" and "2-sample" methods for randomized short-term 2-treatment crossover studies, where patients experience both treatments in random order with a "washout" between the active treatment periods. First, we show that the 2-sample method is preferred as it eliminates "conditional bias" when sample sizes by order differ and produces a smaller variance. We also demonstrate that it is usually advisable to use the differences in posttests (ignoring baseline and post washout values) rather than the differences between the changes in treatment from the start of the period to the end of the period ("delta of delta"). Although the intent is not to provide a definitive discussion of crossover designs, we provide a section and references to excellent alternative methods, where instructors can provide motivation to students to explore the topic in greater detail in future readings or courses. Copyright © 2017 John Wiley & Sons, Ltd.
Thermodynamic properties of bulk and confined water
Energy Technology Data Exchange (ETDEWEB)
Mallamace, Francesco, E-mail: francesco.mallamace@unime.it [Dipartimento di Fisica e Scienza della Terra Università di Messina and CNISM, I-98168 Messina (Italy); Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States); Corsaro, Carmelo [Dipartimento di Fisica e Scienza della Terra Università di Messina and CNISM, I-98168 Messina (Italy); Mallamace, Domenico [Dipartimento di Scienze dell' Ambiente, della Sicurezza, del Territorio, degli Alimenti e della Salute, Università di Messina, I-98166 Messina (Italy); Vasi, Sebastiano; Vasi, Cirino [IPCF-CNR, I-98166 Messina (Italy); Stanley, H. Eugene [Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States)
2014-11-14
The thermodynamic response functions of water display anomalous behaviors. We study these anomalous behaviors in bulk and confined water. We use nuclear magnetic resonance (NMR) to examine the configurational specific heat and the transport parameters in both the thermal stable and the metastable supercooled phases. The data we obtain suggest that there is a behavior common to both phases: that the dynamics of water exhibit two singular temperatures belonging to the supercooled and the stable phase, respectively. One is the dynamic fragile-to-strong crossover temperature (T{sub L} ≃ 225 K). The second, T{sup *} ∼ 315 ± 5 K, is a special locus of the isothermal compressibility K{sub T}(T, P) and the thermal expansion coefficient α{sub P}(T, P) in the P–T plane. In the case of water confined inside a protein, we observe that these two temperatures mark, respectively, the onset of protein flexibility from its low temperature glass state (T{sub L}) and the onset of the unfolding process (T{sup *})
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.
Thermodynamics of adaptive molecular resolution.
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).
RNA Thermodynamic Structural Entropy.
Garcia-Martin, Juan Antonio; Clote, Peter
2015-01-01
Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http
RNA Thermodynamic Structural Entropy.
Directory of Open Access Journals (Sweden)
Juan Antonio Garcia-Martin
Full Text Available Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs. However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http
Chemical thermodynamics of uranium
International Nuclear Information System (INIS)
Grenthe, I.; Fuger, J.; Lemire, R.J.; Muller, A.B.; Nguyen-Trung Cregu, C.; Wanner, H.
1992-01-01
A comprehensive overview on the chemical thermodynamics of those elements that are of particular importance in the safety assessment of radioactive waste disposal systems is provided. This is the first volume in a series of critical reviews to be published on this subject. The book provides an extensive compilation of chemical thermodynamic data for uranium. A description of procedures for activity corrections and uncertainty estimates is given. A critical discussion of data needed for nuclear waste management assessments, including areas where significant gaps of knowledge exist is presented. A detailed inventory of chemical thermodynamic data for inorganic compounds and complexes of uranium is listed. Data and their uncertainty limits are recommended for 74 aqueous complexes and 199 solid and 31 gaseous compounds containing uranium, and on 52 aqueous and 17 solid auxiliary species containing no uranium. The data are internally consistent and compatible with the CODATA Key Values. The book contains a detailed discussion of procedures used for activity factor corrections in aqueous solution, as well as including methods for making uncertainty estimates. The recommended data have been prepared for use in environmental geochemistry. Containing contributions written by experts the chapters cover various subject areas such a s: oxide and hydroxide compounds and complexes, the uranium nitrides, the solid uranium nitrates and the arsenic-containing uranium compounds, uranates, procedures for consistent estimation of entropies, gaseous and solid uranium halides, gaseous uranium oxides, solid phosphorous-containing uranium compounds, alkali metal uranates, uncertainties, standards and conventions, aqueous complexes, uranium minerals dealing with solubility products and ionic strength corrections. The book is intended for nuclear research establishments and consulting firms dealing with uranium mining and nuclear waste disposal, as well as academic and research institutes
Thermodynamics of phase transitions
International Nuclear Information System (INIS)
Cofta, H.
1972-01-01
The phenomenology of the phase transitions has been considered. The definitions of thermodynamic functions and parameters, as well as those of the phase transitions, are given and some of the relations between those quantities are discussed. The phase transitions classification proposed by Ehrenfest has been described. The most important features of phase transitions are discussed using the selected physical examples including the critical behaviour of ferromagnetic materials at the Curie temperature and antiferromagnetic materials at the Neel temperature. Some aspects of the Ehrenfest's equations, that have been derived, for the interfacial lines and surfaces are considered as well as the role the notion of interfaces. (S.B.)
Energy Technology Data Exchange (ETDEWEB)
Biswas, S. N.
1980-07-01
The application of quantum statistical mechanics to a system of particles consisting of quarks is considered. Realistic theoretical investigations have been underway to understand highly dense objects such as white dwarfs and neutron stars. The various possibilities in the case of very high densities such as 10/sup 15/ or 10/sup 16/ g/cm/sup 3/ are enumerated. The thermodynamics of a phase transition from neutron matter phase to quark matter phase is analysed. Preliminary results based on quantum chromodynamics and other phenomenological models are reported.
Kirkland, Kyle
2007-01-01
Temperature is vital to the health and welfare of all living beings, and Earth's temperature varies considerably from place to place. Early humans could only live in warm areas such as the tropics. Although modern humans have the technology to keep their houses and offices warm even in cold environments, the growth and development of civilization has created unintentional effects. Cities are warmer than their surrounding regions, and on a global scale, Earth is experiencing rising temperatures. Thus, the science of thermodynamics offers an important tool to study these effects. "Time and
Navrotsky, Alexandra
Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.
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)
Kaufman, Myron
2002-01-01
Ideal for one- or two-semester courses that assume elementary knowledge of calculus, This text presents the fundamental concepts of thermodynamics and applies these to problems dealing with properties of materials, phase transformations, chemical reactions, solutions and surfaces. The author utilizes principles of statistical mechanics to illustrate key concepts from a microscopic perspective, as well as develop equations of kinetic theory. The book provides end-of-chapter question and problem sets, some using Mathcad™ and Mathematica™; a useful glossary containing important symbols, definitions, and units; and appendices covering multivariable calculus and valuable numerical methods.
Gravitation, Thermodynamics, and Quantum Theory
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...
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
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
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...
Molecular thermodynamics of nonideal fluids
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
Thermodynamics of Accelerating Black Holes.
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.
Fragile to strong crossover at the Widom line in supercooled aqueous solutions of NaCl
Energy Technology Data Exchange (ETDEWEB)
Gallo, P. [Dipartimento di Matematica e Fisica, Università Roma Tre, Via della Vasca Navale 84, I-00146 Rome, Italy and INFN, Sezione di Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy); Corradini, D.; Rovere, M., E-mail: rovere@fis.uniroma3.it [Dipartimento di Matematica e Fisica, Università Roma Tre, Via della Vasca Navale 84, I-00146 Rome (Italy)
2013-11-28
We study by molecular dynamics simulations the dynamical properties of an aqueous solution of NaCl at a concentration of 0.67 mol/kg upon supercooling. In a previous study of the same ionic solution, we have located the liquid-liquid critical point (LLCP) and determined the Widom line connected to the liquid-liquid transition. We present here the results obtained from the study of the self-intermediate scattering function in a large range of temperatures and densities approaching the LLCP. The structural relaxation is in agreement with the mode coupling theory (MCT) in the region of mild supercooling. In the deeper supercooled region the α-relaxation time as function of temperature deviates from the MCT power law prediction showing a crossover from a fragile to a strong behavior. This crossover is found upon crossing the Widom line. The same trend was found in bulk water upon supercooling and it appears almost unchanged by the interaction with ions apart from a shift in the thermodynamic plane toward lower pressures and higher temperatures. These results show that the phenomenology of supercooled water transfers from bulk to solution where the study of the supercooled region is experimentally less difficult.
Crossover ensembles of random matrices and skew-orthogonal polynomials
International Nuclear Information System (INIS)
Kumar, Santosh; Pandey, Akhilesh
2011-01-01
Highlights: → We study crossover ensembles of Jacobi family of random matrices. → We consider correlations for orthogonal-unitary and symplectic-unitary crossovers. → We use the method of skew-orthogonal polynomials and quaternion determinants. → We prove universality of spectral correlations in crossover ensembles. → We discuss applications to quantum conductance and communication theory problems. - Abstract: In a recent paper (S. Kumar, A. Pandey, Phys. Rev. E, 79, 2009, p. 026211) we considered Jacobi family (including Laguerre and Gaussian cases) of random matrix ensembles and reported exact solutions of crossover problems involving time-reversal symmetry breaking. In the present paper we give details of the work. We start with Dyson's Brownian motion description of random matrix ensembles and obtain universal hierarchic relations among the unfolded correlation functions. For arbitrary dimensions we derive the joint probability density (jpd) of eigenvalues for all transitions leading to unitary ensembles as equilibrium ensembles. We focus on the orthogonal-unitary and symplectic-unitary crossovers and give generic expressions for jpd of eigenvalues, two-point kernels and n-level correlation functions. This involves generalization of the theory of skew-orthogonal polynomials to crossover ensembles. We also consider crossovers in the circular ensembles to show the generality of our method. In the large dimensionality limit, correlations in spectra with arbitrary initial density are shown to be universal when expressed in terms of a rescaled symmetry breaking parameter. Applications of our crossover results to communication theory and quantum conductance problems are also briefly discussed.
Crossover of burnout and engagement in work teams
Bakker, A.B.; Van Emmerik, IJ.H.; Euwema, M.C.
2005-01-01
This study investigates the crossover of burnout and work engagement among 2,229 Royal Dutch constabulary officers, working in one of 85 teams. The authors hypothesized that both states may transfer from teams to individual team members. The results of multilevel analyses confirm this crossover
Study of active crossover network | Tyona | Nigerian Journal of Physics
African Journals Online (AJOL)
An active crossover network system has been realized using an active component LF356 with a JFET input. The net work has two drives, the low frequency drive (Bass) and the high frequency drive (Treble). It employs high level crossover technique. The circuit performance was adequately verified and the frequency ...
Thermodynamics of geothermal fluids
Energy Technology Data Exchange (ETDEWEB)
Rogers, P.S.Z.
1981-03-01
A model to predict the thermodynamic properties of geothermal brines, based on a minimum amount of experimental data on a few key systems, is tested. Volumetric properties of aqueous sodium chloride, taken from the literature, are represented by a parametric equation over the range 0 to 300{sup 0}C and 1 bar to 1 kbar. Density measurements at 20 bar needed to complete the volumetric description also are presented. The pressure dependence of activity and thermal properties, derived from the volumetric equation, can be used to complete an equation of state for sodium chloride solutions. A flow calorimeter, used to obtain heat capacity data at high temperatures and pressures, is described. Heat capacity measurements, from 30 to 200{sup 0}C and 1 bar to 200 bar, are used to derive values for the activity coefficient and other thermodynamic properties of sodium sulfate solutions as a function of temperature. Literature data on the solubility of gypsum in mixed electrolyte solutions have been used to evaluate model parameters for calculating gypsum solubility in seawater and natural brines. Predictions of strontium and barium sulfate solubility in seawater also are given.
Thermodynamics of Error Correction
Directory of Open Access Journals (Sweden)
Pablo Sartori
2015-12-01
Full Text Available Information processing at the molecular scale is limited by thermal fluctuations. This can cause undesired consequences in copying information since thermal noise can lead to errors that can compromise the functionality of the copy. For example, a high error rate during DNA duplication can lead to cell death. Given the importance of accurate copying at the molecular scale, it is fundamental to understand its thermodynamic features. In this paper, we derive a universal expression for the copy error as a function of entropy production and work dissipated by the system during wrong incorporations. Its derivation is based on the second law of thermodynamics; hence, its validity is independent of the details of the molecular machinery, be it any polymerase or artificial copying device. Using this expression, we find that information can be copied in three different regimes. In two of them, work is dissipated to either increase or decrease the error. In the third regime, the protocol extracts work while correcting errors, reminiscent of a Maxwell demon. As a case study, we apply our framework to study a copy protocol assisted by kinetic proofreading, and show that it can operate in any of these three regimes. We finally show that, for any effective proofreading scheme, error reduction is limited by the chemical driving of the proofreading reaction.
Chemical thermodynamic representation of
International Nuclear Information System (INIS)
Lindemer, T.B.; Besmann, T.M.
1984-01-01
The entire data base for the dependence of the nonstoichiometry, x, on temperature and chemical potential of oxygen (oxygen potential) was retrieved from the literature and represented. This data base was interpreted by least-squares analysis using equations derived from the classical thermodynamic theory for the solid solution of a solute in a solvent. For hyperstoichiometric oxide at oxygen potentials more positive than -266700 + 16.5T kJ/mol, the data were best represented by a [UO 2 ]-[U 3 O 7 ] solution. For O/U ratios above 2 and oxygen potentials below this boundary, a [UO 2 ]-[U 2 O 4 . 5 ] solution represented the data. The data were represented by a [UO 2 ]-[U 1 / 3 ] solution. The resulting equations represent the experimental ln(PO 2 ) - ln(x) behavior and can be used in thermodynamic calculations to predict phase boundary compositions consistent with the literature. Collectively, the present analysis permits a mathematical representation of the behavior of the total data base
De Lorenzo, Tommaso; Perez, Alejandro
2018-02-01
We show that null surfaces defined by the outgoing and infalling wave fronts emanating from and arriving at a sphere in Minkowski spacetime have thermodynamical properties that are in strict formal correspondence with those of black hole horizons in curved spacetimes. Such null surfaces, made of pieces of light cones, are bifurcate conformal Killing horizons for suitable conformally stationary observers. They can be extremal and nonextremal depending on the radius of the shining sphere. Such conformal Killing horizons have a constant light cone (conformal) temperature, given by the standard expression in terms of the generalization of surface gravity for conformal Killing horizons. Exchanges of conformally invariant energy across the horizon are described by a first law where entropy changes are given by 1 /(4 ℓp2) of the changes of a geometric quantity with the meaning of horizon area in a suitable conformal frame. These conformal horizons satisfy the zeroth to the third laws of thermodynamics in an appropriate way. In the extremal case they become light cones associated with a single event; these have vanishing temperature as well as vanishing entropy.
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
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)
Extended precedence preservative crossover for job shop scheduling problems
Ong, Chung Sin; Moin, Noor Hasnah; Omar, Mohd
2013-04-01
Job shop scheduling problems (JSSP) is one of difficult combinatorial scheduling problems. A wide range of genetic algorithms based on the two parents crossover have been applied to solve the problem but multi parents (more than two parents) crossover in solving the JSSP is still lacking. This paper proposes the extended precedence preservative crossover (EPPX) which uses multi parents for recombination in the genetic algorithms. EPPX is a variation of the precedence preservative crossover (PPX) which is one of the crossovers that perform well to find the solutions for the JSSP. EPPX is based on a vector to determine the gene selected in recombination for the next generation. Legalization of children (offspring) can be eliminated due to the JSSP representation encoded by using permutation with repetition that guarantees the feasibility of chromosomes. The simulations are performed on a set of benchmarks from the literatures and the results are compared to ensure the sustainability of multi parents recombination in solving the JSSP.
Pairing induced superconductivity in holography
Bagrov, Andrey; Meszena, Balazs; Schalm, Koenraad
2014-09-01
We study pairing induced superconductivity in large N strongly coupled systems at finite density using holography. In the weakly coupled dual gravitational theory the mechanism is conventional BCS theory. An IR hard wall cut-off is included to ensure that we can controllably address the dynamics of a single confined Fermi surface. We address in detail the interplay between the scalar order parameter field and fermion pairing. Adding an explicitly dynamical scalar operator with the same quantum numbers as the fermion-pair, the theory experiences a BCS/BEC crossover controlled by the relative scaling dimensions. We find the novel result that this BCS/BEC crossover exposes resonances in the canonical expectation value of the scalar operator. This occurs not only when the scaling dimension is degenerate with the Cooper pair, but also with that of higher derivative paired operators. We speculate that a proper definition of the order parameter which takes mixing with these operators into account stays finite nevertheless.
International Nuclear Information System (INIS)
Stacey, Frank D
2010-01-01
Applications of elementary thermodynamic principles to the dynamics of the Earth lead to robust, quantitative conclusions about the tectonic effects that arise from convection. The grand pattern of motion conveys deep heat to the surface, generating mechanical energy with a thermodynamic efficiency corresponding to that of a Carnot engine operating over the adiabatic temperature gradient between the heat source and sink. Referred to the total heat flux derived from the Earth's silicate mantle, the efficiency is 24% and the power generated, 7.7 x 10 12 W, causes all the material deformation apparent as plate tectonics and the consequent geological processes. About 3.5% of this is released in seismic zones but little more than 0.2% as seismic waves. Even major earthquakes are only localized hiccups in this motion. Complications that arise from mineral phase transitions can be used to illuminate details of the motion. There are two superimposed patterns of convection, plate subduction and deep mantle plumes, driven by sources of buoyancy, negative and positive respectively, at the top and bottom of the mantle. The patterns of motion are controlled by the viscosity contrasts (>10 4 : 1) at these boundaries and are self-selected as the least dissipative mechanisms of heat transfer for convection in a body with very strong viscosity variation. Both are subjects of the thermodynamic efficiency argument. Convection also drives the motion in the fluid outer core that generates the geomagnetic field, although in that case there is an important energy contribution by compositional separation, as light solute is rejected by the solidifying inner core and mixed into the outer core, a process referred to as compositional convection. Uncertainty persists over the core energy balance because thermal conduction is a drain on core energy that has been a subject of diverse estimates, with attendant debate over the need for radiogenic heat in the core. The geophysical approach to
Directory of Open Access Journals (Sweden)
Jan Drouaud
2013-11-01
Full Text Available The vast majority of meiotic recombination events (crossovers (COs and non-crossovers (NCOs cluster in narrow hotspots surrounded by large regions devoid of recombinational activity. Here, using a new molecular approach in plants, called "pollen-typing", we detected and characterized hundreds of CO and NCO molecules in two different hotspot regions in Arabidopsis thaliana. This analysis revealed that COs are concentrated in regions of a few kilobases where their rates reach up to 50 times the genome average. The hotspots themselves tend to cluster in regions less than 8 kilobases in size with overlapping CO distribution. Non-crossover (NCO events also occurred in the two hotspots but at very different levels (local CO/NCO ratios of 1/1 and 30/1 and their track lengths were quite small (a few hundred base pairs. We also showed that the ZMM protein MSH4 plays a role in CO formation and somewhat unexpectedly we also found that it is involved in the generation of NCOs but with a different level of effect. Finally, factors acting in cis and in trans appear to shape the rate and distribution of COs at meiotic recombination hotspots.
Fundamental functions in equilibrium thermodynamics
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
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)
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
Thermodynamic optimization of power plants
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
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.
Thermodynamics of urban population flows.
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.
Thermodynamics from Car to Kitchen
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…
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...
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.
Thermodynamic properties of cryogenic fluids
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...
Applied statistical thermodynamics
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.
Thermodynamic properties of vanadium
International Nuclear Information System (INIS)
Desai, P.D.
1986-01-01
This work reviews and discusses the data and information on the various thermodynamic properties of vanadium available through March 1985. These include the heat capacity and enthalpy, enthalpy of melting, vapor pressure, and enthalpy of vaporization. The existing data have been critically evaluated and analyzed, and the recommended values for heat capacity, enthalpy, entropy, and Gibbs energy function covering the temperature range from 1 to 3800 K have been generated. These values are referred to tempertures based on IPTS-1968. The units used for various properties are joules per mole (J. mol - 1 ). The estimated uncertainties in the heat capacity are +/-3% below 15 K, +/-10% from 15 to 150 K, +/-3% from 150 to 298.15 K, +/-2% from 298.15 to 1000 K, +/-3% from 1000 to the melting point (2202 K), and +/-5% in the liquid region
Thermodynamics and energy conversion
Struchtrup, Henning
2014-01-01
This textbook gives a thorough treatment of engineering thermodynamics with applications to classical and modern energy conversion devices. Some emphasis lies on the description of irreversible processes, such as friction, heat transfer and mixing, and the evaluation of the related work losses. Better use of resources requires high efficiencies, therefore the reduction of irreversible losses should be seen as one of the main goals of a thermal engineer. This book provides the necessary tools. Topics include: car and aircraft engines, including Otto, Diesel and Atkinson cycles, by-pass turbofan engines, ramjet and scramjet; steam and gas power plants, including advanced regenerative systems, solar tower, and compressed air energy storage; mixing and separation, including reverse osmosis, osmotic powerplants, and carbon sequestration; phase equilibrium and chemical equilibrium, distillation, chemical reactors, combustion processes, and fuel cells; the microscopic definition of entropy. The book i...
Thermodynamics of Fluid Polyamorphism
Directory of Open Access Journals (Sweden)
Mikhail A. Anisimov
2018-01-01
Full Text Available Fluid polyamorphism is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium, carbon, silicon, phosphorous, sulfur, tellurium, cerium, hydrogen, and tin tetraiodide. This phenomenon is also hypothesized for metastable and deeply supercooled water, presumably located a few degrees below the experimental limit of homogeneous ice formation. We present a generic phenomenological approach to describe polyamorphism in a single-component fluid, which is completely independent of the molecular origin of the phenomenon. We show that fluid polyamorphism may occur either in the presence or in the absence of fluid phase separation depending on the symmetry of the order parameter. In the latter case, it is associated with a second-order transition, such as in liquid helium or liquid sulfur. To specify the phenomenology, we consider a fluid with thermodynamic equilibrium between two distinct interconvertible states or molecular structures. A fundamental signature of this concept is the identification of the equilibrium fraction of molecules involved in each of these alternative states. However, the existence of the alternative structures may result in polyamorphic fluid phase separation only if mixing of these structures is not ideal. The two-state thermodynamics unifies all the debated scenarios of fluid polyamorphism in different areas of condensed-matter physics, with or without phase separation, and even goes beyond the phenomenon of polyamorphism by generically describing the anomalous properties of fluids exhibiting interconversion of alternative molecular states.
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.
Pressure and Temperature Sensors Using Two Spin Crossover Materials.
Jureschi, Catalin-Maricel; Linares, Jorge; Boulmaali, Ayoub; Dahoo, Pierre Richard; Rotaru, Aurelian; Garcia, Yann
2016-02-02
The possibility of a new design concept for dual spin crossover based sensors for concomitant detection of both temperature and pressure is presented. It is conjectured from numerical results obtained by mean field approximation applied to a Ising-like model that using two different spin crossover compounds containing switching molecules with weak elastic interactions it is possible to simultaneously measure P and T. When the interaction parameters are optimized, the spin transition is gradual and for each spin crossover compounds, both temperature and pressure values being identified from their optical densities. This concept offers great perspectives for smart sensing devices.
Analysis of multi-step transitions in spin crossover nanochains
Energy Technology Data Exchange (ETDEWEB)
Chiruta, Daniel [GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France); LISV, Université de Versailles Saint-Quentin-en-Yvelines, 78140 Velizy (France); Faculty of Electrical Engineering and Computer Science, Stefan cel Mare University, Suceava 720229 (Romania); Linares, Jorge, E-mail: jorge.linares@uvsq.fr [GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France); Garcia, Yann, E-mail: yann.garcia@uclouvain.be [Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Molecules, Solids and Reactivity (IMCN/MOST), Place Louis Pasteur, 1, 1348 Louvain-la-Neuve (Belgium); Dimian, Mihai [Faculty of Electrical Engineering and Computer Science, Stefan cel Mare University, Suceava 720229 (Romania); Dahoo, Pierre Richard [LATMOS, Université de Versailles-Saint-Quentin-en-Yvelines, CNRS-UPMC-UVSQ (UMR 8190), 78280 Guyancourt (France)
2014-02-01
The temperature driven phase transition occurring in spin crossover nanochains has been studied by an Ising-like model considering both short-range and long-range interactions. Various types of spin crossover profiles have been described in this framework, including a novel three-step transition identified in a nanosystem with eight molecules, which is modeled for the first time. A special interest has been also given to stepwise transitions accompanied by two hysteresis loops. The edge and size effects on spin crossover behavior have been investigated in order to get a deeper insight of the underlying mechanisms involved in these unusual spin transitions.
Pressure and Temperature Sensors Using Two Spin Crossover Materials
Jureschi, Catalin-Maricel; Linares, Jorge; Boulmaali, Ayoub; Dahoo, Pierre Richard; Rotaru, Aurelian; Garcia, Yann
2016-01-01
The possibility of a new design concept for dual spin crossover based sensors for concomitant detection of both temperature and pressure is presented. It is conjectured from numerical results obtained by mean field approximation applied to a Ising-like model that using two different spin crossover compounds containing switching molecules with weak elastic interactions it is possible to simultaneously measure P and T. When the interaction parameters are optimized, the spin transition is gradual and for each spin crossover compounds, both temperature and pressure values being identified from their optical densities. This concept offers great perspectives for smart sensing devices. PMID:26848663
Pressure and Temperature Sensors Using Two Spin Crossover Materials
Directory of Open Access Journals (Sweden)
Catalin-Maricel Jureschi
2016-02-01
Full Text Available The possibility of a new design concept for dual spin crossover based sensors for concomitant detection of both temperature and pressure is presented. It is conjectured from numerical results obtained by mean field approximation applied to a Ising-like model that using two different spin crossover compounds containing switching molecules with weak elastic interactions it is possible to simultaneously measure P and T. When the interaction parameters are optimized, the spin transition is gradual and for each spin crossover compounds, both temperature and pressure values being identified from their optical densities. This concept offers great perspectives for smart sensing devices.
A microscopic model of ballistic-diffusive crossover
International Nuclear Information System (INIS)
Bagchi, Debarshee; Mohanty, P K
2014-01-01
Several low-dimensional systems show a crossover from diffusive to ballistic heat transport when system size is decreased. Although there is some phenomenological understanding of this crossover phenomenon at the coarse-grained level, a microscopic picture that consistently describes both the ballistic and the diffusive transport regimes has been lacking. In this work we derive a scaling form for the thermal current in a class of one dimensional systems attached to heat baths at boundaries and rigorously show that the crossover occurs when the characteristic length scale of the system competes with the system size. (paper)
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...
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.)
Thermodynamic metrics and optimal paths.
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.
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
Practical chemical thermodynamics for geoscientists
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.
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
Microelectromechanical systems integrating molecular spin crossover actuators
Energy Technology Data Exchange (ETDEWEB)
Manrique-Juarez, Maria D. [LCC, CNRS and Université de Toulouse, UPS, INP, F-31077 Toulouse (France); LAAS, CNRS and Université de Toulouse, INSA, UPS, F-31077 Toulouse (France); Rat, Sylvain; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine, E-mail: liviu.nicu@laas.fr, E-mail: azzedine.bousseksou@lcc-toulouse.fr [LCC, CNRS and Université de Toulouse, UPS, INP, F-31077 Toulouse (France); Mathieu, Fabrice; Saya, Daisuke; Séguy, Isabelle; Leïchlé, Thierry; Nicu, Liviu, E-mail: liviu.nicu@laas.fr, E-mail: azzedine.bousseksou@lcc-toulouse.fr [LAAS, CNRS and Université de Toulouse, INSA, UPS, F-31077 Toulouse (France)
2016-08-08
Silicon MEMS cantilevers coated with a 200 nm thin layer of the molecular spin crossover complex [Fe(H{sub 2}B(pz){sub 2}){sub 2}(phen)] (H{sub 2}B(pz){sub 2} = dihydrobis(pyrazolyl)borate and phen = 1,10-phenantroline) were actuated using an external magnetic field and their resonance frequency was tracked by means of integrated piezoresistive detection. The light-induced spin-state switching of the molecules from the ground low spin to the metastable high spin state at 10 K led to a well-reproducible shift of the cantilever's resonance frequency (Δf{sub r} = −0.52 Hz). Control experiments at different temperatures using coated as well as uncoated devices along with simple calculations support the assignment of this effect to the spin transition. This latter translates into changes in mechanical behavior of the cantilever due to the strong spin-state/lattice coupling. A guideline for the optimization of device parameters is proposed so as to efficiently harness molecular scale movements for large-scale mechanical work, thus paving the road for nanoelectromechanical systems (NEMS) actuators based on molecular materials.
Laser frequency stabilization using bichromatic crossover spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Jeong, Taek; Seb Moon, Han, E-mail: hsmoon@pusan.ac.kr [Department of Physics, Pusan National University, Busan 609-735 (Korea, Republic of)
2015-03-07
We propose a Doppler-free spectroscopic method named bichromatic crossover spectroscopy (BCS), which we then use for the frequency stabilization of an off-resonant frequency that does not correspond to an atomic transition. The observed BCS in the 5S{sub 1/2} → 5P{sub 1/2} transition of {sup 87}Rb is related to the hyperfine structure of the conventional saturated absorption spectrum of this transition. Furthermore, the Doppler-free BCS is numerically calculated by considering all of the degenerate magnetic sublevels of the 5S{sub 1/2} → 5P{sub 1/2} transition in an atomic vapor cell, and is found to be in good agreement with the experimental results. Finally, we successfully achieve modulation-free off-resonant locking at the center frequency between the two 5S{sub 1/2}(F = 1 and 2) → 5P{sub 1/2}(F′ = 1) transitions using a polarization rotation of the BCS. The laser frequency stability was estimated to be the Allan variance of 2.1 × 10{sup −10} at 1 s.
Thermodynamical string fragmentation
Energy Technology Data Exchange (ETDEWEB)
Fischer, Nadine [Theoretical Particle Physics, Department of Astronomy and Theoretical Physics, Lund University,Sölvegatan 14A, Lund, SE-223 62 (Sweden); School of Physics and Astronomy, Monash University,Wellington Road, Clayton, VIC-3800 (Australia); Sjöstrand, Torbjörn [Theoretical Particle Physics, Department of Astronomy and Theoretical Physics, Lund University,Sölvegatan 14A, Lund, SE-223 62 (Sweden)
2017-01-31
The observation of heavy-ion-like behaviour in pp collisions at the LHC suggests that more physics mechanisms are at play than traditionally assumed. The introduction e.g. of quark-gluon plasma or colour rope formation can describe several of the observations, but as of yet there is no established paradigm. In this article we study a few possible modifications to the Pythia event generator, which describes a wealth of data but fails for a number of recent observations. Firstly, we present a new model for generating the transverse momentum of hadrons during the string fragmentation process, inspired by thermodynamics, where heavier hadrons naturally are suppressed in rate but obtain a higher average transverse momentum. Secondly, close-packing of strings is taken into account by making the temperature or string tension environment-dependent. Thirdly, a simple model for hadron rescattering is added. The effect of these modifications is studied, individually and taken together, and compared with data mainly from the LHC. While some improvements can be noted, it turns out to be nontrivial to obtain effects as big as required, and further work is called for.
Hysteretic behavior of spin-crossover noise driven system
Energy Technology Data Exchange (ETDEWEB)
Gudyma, Iurii [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Maksymov, Artur, E-mail: maxyartur@gmail.com [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Dimian, Mihai [Department of Electrical and Computer Engineering, Howard University, Washington DC, 20059 (United States); Faculty of Electrical Engineering and Computer Science, Stefan cel Mare University, Suceava 720229 (Romania)
2016-04-01
The influence of white Gaussian noise on hysteretic behavior of spin-crossover system is analyzed in the framework of stochastic Langevin dynamics. Various stochastic simulations are performed and several important properties of spin-transition in spin-crossover system driven by noise are reproduced. The numerical results are tested against the stationary probability function and the associated dynamic potential obtained from Fokker–Planck equation corresponding to spin-crossover Langevin dynamics. The dependence of light-induced optical hysteresis width and non-hysteretic transition curve slope on the noise intensity is illustrated. The role of low-spin and high-spin phase stabilities in the hysteretic behavior of noise-driven spin-crossover system is discussed.
Comparative Analysis of Genetic Crossover Operators in Knapsack ...
African Journals Online (AJOL)
ADOWIE PERE
Knapsack problem via GA (Genetic Algorithm) is presented. We compared ... Keywords: Genetic Algorithm, Crossover, Heuristic, Arithmetic, Intermediate, Evolutionary Algorithm. The knapsack .... application to 0/1 Knapsack problem, Applied.
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...
Shock Thermodynamic Applied Research Facility
Federal Laboratory Consortium — The Shock Thermodynamic Applied Research Facility (STAR) facility, within Sandia’s Solid Dynamic Physics Department, is one of a few institutions in the world with a...
Thermodynamic analysis of PBMR plant
International Nuclear Information System (INIS)
Sen, S.; Kadiroglu, O.K.
2002-01-01
The thermodynamic analysis of a PBMR is presented for various pressures and temperatures values. The design parameters of the components of the power plant are calculated and an optimum cycle for the maximum thermal efficiency is sought for. (author)
Thermodynamic efficiency of solar concentrators.
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.
Thermodynamic origin of nonimaging optics
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.
First principles thermodynamics of alloys
International Nuclear Information System (INIS)
Ducastelle, F.
1993-01-01
We present a brief report on the methods of solid state physics (electronic structure, statistical thermodynamics) that allow us to discuss the phase stability of alloys and to determine their phase diagrams. (orig.)
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)
Thermodynamics from concepts to applications
Shavit, Arthur
2008-01-01
The book presents a logical methodology for solving problems in the context of conservation laws and property tables or equations. The authors elucidate the terms around which thermodynamics has historically developed, such as work, heat, temperature, energy, and entropy. Using a pedagogical approach that builds from basic principles to laws and eventually corollaries of the laws, the text enables students to think in clear and correct thermodynamic terms as well as solve real engineering problems.
Generalization of Gibbs Entropy and Thermodynamic Relation
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.
Thermodynamics of firms' growth
Zambrano, Eduardo; Hernando, Alberto; Hernando, Ricardo; Plastino, Angelo
2015-01-01
The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1 155 142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing ‘free’ creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828
Directory of Open Access Journals (Sweden)
Karen Voelkel-Meiman
2015-06-01
Full Text Available Accurate chromosome segregation during meiosis relies on the presence of crossover events distributed among all chromosomes. MutSγ and MutLγ homologs (Msh4/5 and Mlh1/3 facilitate the formation of a prominent group of meiotic crossovers that mature within the context of an elaborate chromosomal structure called the synaptonemal complex (SC. SC proteins are required for intermediate steps in the formation of MutSγ-MutLγ crossovers, but whether the assembled SC structure per se is required for MutSγ-MutLγ-dependent crossover recombination events is unknown. Here we describe an interspecies complementation experiment that reveals that the mature SC is dispensable for the formation of Mlh3-dependent crossovers in budding yeast. Zip1 forms a major structural component of the budding yeast SC, and is also required for MutSγ and MutLγ-dependent crossover formation. Kluyveromyces lactis ZIP1 expressed in place of Saccharomyces cerevisiae ZIP1 in S. cerevisiae cells fails to support SC assembly (synapsis but promotes wild-type crossover levels in those nuclei that progress to form spores. While stable, full-length SC does not assemble in S. cerevisiae cells expressing K. lactis ZIP1, aggregates of K. lactis Zip1 displayed by S. cerevisiae meiotic nuclei are decorated with SC-associated proteins, and K. lactis Zip1 promotes the SUMOylation of the SC central element protein Ecm11, suggesting that K. lactis Zip1 functionally interfaces with components of the S. cerevisiae synapsis machinery. Moreover, K. lactis Zip1-mediated crossovers rely on S. cerevisiae synapsis initiation proteins Zip3, Zip4, Spo16, as well as the Mlh3 protein, as do the crossovers mediated by S. cerevisiae Zip1. Surprisingly, however, K. lactis Zip1-mediated crossovers are largely Msh4/Msh5 (MutSγ-independent. This separation-of-function version of Zip1 thus reveals that neither assembled SC nor MutSγ is required for Mlh3-dependent crossover formation per se in budding yeast
Thermodynamic properties of water in the critical region
International Nuclear Information System (INIS)
Veloso, Marcelo A.
2009-01-01
The supercritical-water-cooled reactor (SCWR) is one of the nuclear reactor technologies selected for research and development under the Generation IV program. SCWRs offer the potential for high thermal efficiencies and considerable plant simplifications for improved economics. One of the main characteristics of critical water is the strong variations of its thermal-physical properties in the vicinity of the critical point. These large variations may result in an unusual heat transfer behavior. The 1967 IFC Formulation for Industrial Use, which until 1998 formed the basis of steam tables used in many areas of steam power industry throughout the world since the late 1960's, has been now replaced with the IAPWS IF-97 Formulation for the Thermodynamic Properties of Water and Steam for Industrial Use, adopted by the International Association for the Properties of Water and Steam (IAPWS) in 1997. An IAPWS release points out that this new formulation has some unsatisfactory features in the immediate vicinity of the critical point. In order to investigate this singular aspect, which is crucial to better understand the heat transfer mechanism in a SCWR system, predictions by the IAPWS-IF97 formulation will be compared with thermodynamic properties values predicted by an alternative crossover equation of state as well as with experimental data found in literature. (author)
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)
Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro
2017-07-01
We analyze the thermodynamic properties of stochastic differential equations driven by smooth Poisson-Kac fluctuations, and their convergence, in the Kac limit, towards Wiener-driven Langevin equations. Using a Markovian embedding of the stochastic work variable, it is proved that the Kac-limit convergence implies a Stratonovich formulation of the limit Langevin equations, in accordance with the Wong-Zakai theorem. Exact moment analysis applied to the case of a purely frictional system shows the occurrence of different regimes and crossover phenomena in the parameter space.
Effective-field treatment of an anisotropic Ising ferromagnet: thermodynamical properties
International Nuclear Information System (INIS)
Sarmento, E.F.; Honmura, R.; Tsallis, C.
1982-01-01
The anisotropic square lattice spin -1/2 Ising ferromagnet is discussed. Through this system it is illustrated how all relevant thermodynamical quantities (phase diagram, magnetization, short range order parameter, specific heat and susceptibility) can be approximatively calculated within an effective-field unified procedure (which substantially improves the Mean Field Approximation). Two slightly different approximations for the susceptibility (whose exact computation is still lacking) are presented. The (square lattice) - (linear chain) crossover is exhibited. The present (mathematically simple) procedures could be useful in the study of complex Ising problems. (Author) [pt
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
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
Nonequilibrium Thermodynamics of Hydrate Growth on a Gas-Liquid Interface
Fu, Xiaojing; Cueto-Felgueroso, Luis; Juanes, Ruben
2018-04-01
We develop a continuum-scale phase-field model to study gas-liquid-hydrate systems far from thermodynamic equilibrium. We design a Gibbs free energy functional for methane-water mixtures that recovers the isobaric temperature-composition phase diagram under thermodynamic equilibrium conditions. The proposed free energy is incorporated into a phase-field model to study the dynamics of hydrate formation on a gas-liquid interface. We elucidate the role of initial aqueous concentration in determining the direction of hydrate growth at the interface, in agreement with experimental observations. Our model also reveals two stages of hydrate growth at an interface—controlled by a crossover in how methane is supplied from the gas and liquid phases—which could explain the persistence of gas conduits in hydrate-bearing sediments and other nonequilibrium phenomena commonly observed in natural methane hydrate systems.
Interference-mediated synaptonemal complex formation with embedded crossover designation
Zhang, Liangran; Espagne, Eric; de Muyt, Arnaud; Zickler, Denise; Kleckner, Nancy E.
2014-01-01
Biological systems exhibit complex patterns at length scales ranging from the molecular to the organismic. Along chromosomes, events often occur stochastically at different positions in different nuclei but nonetheless tend to be relatively evenly spaced. Examples include replication origin firings, formation of chromatin loops along chromosome axes and, during meiosis, localization of crossover recombination sites (“crossover interference”). We present evidence in the fungus Sordaria macrospora that crossover interference is part of a broader pattern that includes synaptonemal complex (SC) nucleation. This pattern comprises relatively evenly spaced SC nucleation sites, among which a subset are crossover sites that show a classical interference distribution. This pattern ensures that SC forms regularly along the entire length of the chromosome as required for the maintenance of homolog pairing while concomitantly having crossover interactions locally embedded within the SC structure as required for both DNA recombination and structural events of chiasma formation. This pattern can be explained by a threshold-based designation and spreading interference process. This model can be generalized to give diverse types of related and/or partially overlapping patterns, in two or more dimensions, for any type of object. PMID:25380597
A Link between Meiotic Prophase Progression and CrossoverControl
Energy Technology Data Exchange (ETDEWEB)
Carlton, Peter M.; Farruggio, Alfonso P.; Dernburg, Abby F.
2005-07-06
During meiosis, most organisms ensure that homologous chromosomes undergo at least one exchange of DNA, or crossover, to link chromosomes together and accomplish proper segregation. How each chromosome receives a minimum of one crossover is unknown. During early meiosis in Caenorhabditis elegans and many other species, chromosomes adopt a polarized organization within the nucleus, which normally disappears upon completion of homolog synapsis. Mutations that impair synapsis even between a single pair of chromosomes in C. elegans delay this nuclear reorganization. We quantified this delay by developing a classification scheme for discrete stages of meiosis. Immunofluorescence localization of RAD-51 protein revealed that delayed meiotic cells also contained persistent recombination intermediates. Through genetic analysis, we found that this cytological delay in meiotic progression requires double-strand breaks and the function of the crossover-promoting heteroduplex HIM-14 (Msh4) and MSH-5. Failure of X chromosome synapsis also resulted in impaired crossover control on autosomes, which may result from greater numbers and persistence of recombination intermediates in the delayed nuclei. We conclude that maturation of recombination events on chromosomes promotes meiotic progression, and is coupled to the regulation of crossover number and placement. Our results have broad implications for the interpretation of meiotic mutants, as we have shown that asynapsis of a single chromosome pair can exert global effects on meiotic progression and recombination frequency.
The Thermodynamic Machinery of Life
Kurzynski, Michal
2006-01-01
Living organisms are open thermodynamic systems whose functional structure has developed and been kinetically frozen during the historical process of biological evolution. A thermodynamics of both nonequilibrium and complex systems is needed for their description. In this book, the foundations of such a thermodynamics are presented. Biological processes at the cellular level are considered as coupled chemical reactions and transport processes across internal and the cytoplasmic membrane. All these processes are catalyzed by specific enzymes hence the kinetics of enzymatic catalysis and its control are described here in detail. The coupling of several processes through a common enzyme is considered in the context of free energy or signal transduction. Special attention is paid to evidence for a rich stochastic internal dynamics of native proteins and its possible role in the control of enzyme activity and in the action of biological molecular machines.
Complexation thermodynamics of modified cyclodextrins
DEFF Research Database (Denmark)
Schönbeck, Jens Christian Sidney; Westh, Peter; Holm, Rene
2014-01-01
Inclusion complexes between two bile salts and a range of differently methylated β-cyclodextrins were studied in an attempt to rationalize the complexation thermodynamics of modified cyclodextrins. Calorimetric titrations at a range of temperatures provided precise values of the enthalpies (ΔH......°), entropies (ΔS°), and heat capacities (ΔCp) of complexation, while molecular dynamics simulations assisted the interpretation of the obtained thermodynamic parameters. As previously observed for several types of modified cyclodextrins, the substituents at the rims of the cyclodextrin induced large changes......° and then a strong decrease when the degree of substitution exceeded some threshold. Exactly the same trend was observed for ΔCp. The dehydration of nonpolar surface, as quantified by the simulations, can to a large extent explain the variation in the thermodynamic parameters. The methyl substituents form additional...
Thermodynamics a complete undergraduate course
Steane, Andrew M
2016-01-01
This is an undergraduate textbook in thermodynamics—the science of heat, work, temperature, and entropy. The text presents thermodynamics in and of itself, as an elegant and powerful set of ideas and methods. These methods open the way to understanding a very wide range of phenomena in physics, chemistry, engineering, and biology. Starting out from an introduction of concepts at first year undergraduate level, the roles of temperature, internal energy, and entropy are explained via the laws of thermodynamics. The text employs a combination of examples, exercises, and careful discussion, with a view to conveying the feel of the subject as well as avoiding common misunderstandings. The Feynman–Smuluchowski ratchet, Szilard’s engine, and Maxwell’s daemon are used to elucidate entropy and the second law. Free energy and thermodynamic potentials are discussed at length, with applications to solids as well as fluids and flow processes. Thermal radiation is discussed, and the main ideas significant to global...
Nanofluidics thermodynamic and transport properties
Michaelides, Efstathios E (Stathis)
2014-01-01
This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...
Development of Thermodynamic Conceptual Evaluation
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.
Statistical thermodynamics of clustered populations.
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.
Thermodynamics of nuclear power systems
International Nuclear Information System (INIS)
Anno, J.
1983-01-01
The conversion of nuclear energy to useful work follows essentially the same course as the conversion of thermal energy from fossil fuel to work. The thermal energy released in the reactor core is first transferred to the primary coolant which then generally transfers its heat to a secondary fluid. The secondary fluid serves as the working fluid in a heat engine. In this chapter the authors briefly examine the thermodynamic principles governing the operation of such engines, the major thermodynamic cycles used, and their application to nuclear power plants
Thermodynamics of nuclear power systems
International Nuclear Information System (INIS)
Anno, J.
1977-01-01
The conversion of nuclear energy to useful work follows essentially the same course as the conversion of thermal energy from fossil fuel to work. The thermal energy released in the reactor core is first transferred to the primary coolant which then generally transfers its heat to a secondary fluid. The secondary fluid serves as the working fluid in a heat engine. The author briefly examines the thermodynamic principles governing the operation of such engines, the major thermodynamic cycles used, and their application to nuclear power plants. (Auth.)
Placement by thermodynamic simulated annealing
International Nuclear Information System (INIS)
Vicente, Juan de; Lanchares, Juan; Hermida, Roman
2003-01-01
Combinatorial optimization problems arise in different fields of science and engineering. There exist some general techniques coping with these problems such as simulated annealing (SA). In spite of SA success, it usually requires costly experimental studies in fine tuning the most suitable annealing schedule. In this Letter, the classical integrated circuit placement problem is faced by Thermodynamic Simulated Annealing (TSA). TSA provides a new annealing schedule derived from thermodynamic laws. Unlike SA, temperature in TSA is free to evolve and its value is continuously updated from the variation of state functions as the internal energy and entropy. Thereby, TSA achieves the high quality results of SA while providing interesting adaptive features
Thermodynamics of Dipolar Chain Systems
DEFF Research Database (Denmark)
R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.
2012-01-01
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects...... numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments....
Applied Thermodynamics: Grain Boundary Segregation
Directory of Open Access Journals (Sweden)
Pavel Lejček
2014-03-01
Full Text Available Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their physical meaning is elucidated. The importance of the thermodynamic state functions of grain boundary segregation, their dependence on volume solid solubility, mutual solute–solute interaction and pressure effect in ferrous alloys is demonstrated.
Thermodynamics of de Sitter universes
International Nuclear Information System (INIS)
Huang Chaoguang; Liu Liao; Wang Bobo
2002-01-01
It is shown that the first law of thermodynamics can be applied to the de Sitter universe to relate its vacuum energy, pressure, entropy of horizon, chemical potential, etc., when the cosmological constant changes due to the fluctuation of the vacuum or other reasons. The second law should be reformulated in the form that the spontaneous decay of the vacuum never makes the entropy of the de Sitter universe decrease. The third law of thermodynamics, applying to the de Sitter universe, implies that the cosmological constant cannot reach zero by finite physical processes. The relation to the holographic principle is also briefly discussed
Nuclear thermodynamics below particle threshold
International Nuclear Information System (INIS)
Schiller, A.; Agvaanluvsan, U.; Algin, E.; Bagheri, A.; Chankova, R.; Guttormsen, M.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.; Sunde, A. C.; Voinov, A.
2005-01-01
From a starting point of experimentally measured nuclear level densities, we discuss thermodynamical properties of nuclei below the particle emission threshold. Since nuclei are essentially mesoscopic systems, a straightforward generalization of macroscopic ensemble theory often yields unphysical results. A careful critique of traditional thermodynamical concepts reveals problems commonly encountered in mesoscopic systems. One of which is the fact that microcanonical and canonical ensemble theory yield different results, another concerns the introduction of temperature for small, closed systems. Finally, the concept of phase transitions is investigated for mesoscopic systems
Peaceful nuclear explosions and thermodynamics
International Nuclear Information System (INIS)
Prieto, F.E.
1975-01-01
Some theoretical advances in the thermodynamics of very high pressures are reviewed. A universal (system-independent) formulation of the thermodynamics is sketched, and some of the equations more frequently used are written in system-independent form. Among these equations are: Hugoniot pressure and temperature as functions of volume; the Mie-Gruneisen equation; and an explicit form for the equation of state. It is also shown that this formalism can be used to interpret and predict results from peaceful nuclear explosions. (author)
Modelling of the PROTO-II crossover network
International Nuclear Information System (INIS)
Proulx, G.A.; Lackner, H.; Spence, P.; Wright, T.P.
1985-01-01
In order to drive a double ring, symmetrically fed bremsstrahlung diode, the PROTO II accelerator was redesigned. The radially converging triplate water line was reconfigured to drive two radial converging triplate lines in parallel. The four output lines were connected to the two input lines via an electrically enclosed tubular crossover network. Low-voltage Time Domain Reflectrometry (TDR) experiments were conducted on a full scale water immersed model of one section of the crossover network as an aid in this design. A lumped element analysis of the power flow through the network was inadequate in explaining the observed wave transmission and reflection characteristics. A more detailed analysis was performed with a circuit code in which we considered both localized lump-element and transmission line features of the crossover network. Experimental results of the model tests are given and compared with the circuit simulations. 7 figs
Modular invariance, universality and crossover in the quantum Hall effect
International Nuclear Information System (INIS)
Dolan, Brian P.
1999-01-01
An analytic form for the conductivity tensor in crossover between two quantum Hall plateaux is derived, which appears to be in good agreement with existing experimental data. The derivation relies on an assumed symmetry between quantum Hall states, a generalisation of the law of corresponding states from rational filling factors to complex conductivity, which has a mathematical expression in terms of an action of the modular group on the upper-half complex conductivity plane. This symmetry implies universality in quantum Hall crossovers. The assumption that the β-function for the complex conductivity is a complex analytic function, together with some experimental constraints, results in an analytic expression for the crossover, as a function of the external magnetic field
Crossover from equilibration to aging: Nonequilibrium theory versus simulations.
Mendoza-Méndez, P; Lázaro-Lázaro, E; Sánchez-Díaz, L E; Ramírez-González, P E; Pérez-Ángel, G; Medina-Noyola, M
2017-08-01
Understanding glasses and the glass transition requires comprehending the nature of the crossover from the ergodic (or equilibrium) regime, in which the stationary properties of the system have no history dependence, to the mysterious glass transition region, where the measured properties are nonstationary and depend on the protocol of preparation. In this work we use nonequilibrium molecular dynamics simulations to test the main features of the crossover predicted by the molecular version of the recently developed multicomponent nonequilibrium self-consistent generalized Langevin equation theory. According to this theory, the glass transition involves the abrupt passage from the ordinary pattern of full equilibration to the aging scenario characteristic of glass-forming liquids. The same theory explains that this abrupt transition will always be observed as a blurred crossover due to the unavoidable finiteness of the time window of any experimental observation. We find that within their finite waiting-time window, the simulations confirm the general trends predicted by the theory.
Pressure effect on hysteresis in spin-crossover solid materials
Energy Technology Data Exchange (ETDEWEB)
Gudyma, Iurii, E-mail: yugudyma@gmail.com [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Ivashko, Victor [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Dimian, Mihai [Department of Electrical and Computer Engineering, Howard University, Washington DC 20059 (United States); Faculty of Electrical Engineering and Computer Science & Integrated Center for Research, Development and Innovation in Advanced Materials, Nanotechnologies, and Distributed Systems for fabrication and control, Stefan cel Mare University, Suceava 720229 (Romania)
2016-04-01
A generalized microscopic Ising-like model is proposed to describe behavior of compressible spin-crossover solids with two states: low-spin and high-spin. The model was solved in mean-field approximation and shows hysteretic behavior at low energy difference between the states. We study the thermal transition between states under external hydrostatic pressure taking into account the changes in the volume of spin-crossover molecules in different states. Depending on the applied pressure, a spin-crossover system can have three types of behavior of molecular fraction in the high-spin state: hysteretic, second-order phase transition and no-phase transition. For the hysteretic regime, it is shown that the transition temperature under pressure is increased while the width of the hysteresis reduced.
Spin-crossover behavior of polymeric iron(III) complexes
International Nuclear Information System (INIS)
Maeda, Yonezo; Miyamoto, Makoto; Takashima, Yoshimasa; Oshio, Hiroaki
1989-01-01
Polymeric spin-crossover iron(III) complexes possessing poly(4-vinylpyridine), poly(N-vinylimidazole) or poly(octylmethacrylate-co-4-vinylpyridine) as ligand are prepared. In this experience enriched 57 Fe was used to get strong Moessbauer absorption. The enriched behavior of the complexes were examined by magnetic susceptibilities measurement, and Moessbauer and esr spectroscopies. Some of them show spin-state behavior over a wide range of temperature. Some of them show rapid spin-state interexchange compared to the Moessbauer time scale and others not. Spin-crossover behavior of polymeric complexes is characterized of wide spin-state transition temperature range
Probing Spin Crossover in a Solution by Paramagnetic NMR Spectroscopy.
Pavlov, Alexander A; Denisov, Gleb L; Kiskin, Mikhail A; Nelyubina, Yulia V; Novikov, Valentin V
2017-12-18
Spin transitions in spin-crossover compounds are now routinely studied in the solid state by magnetometry; however, only a few methods exist for studies in solution. The currently used Evans method, which relies on NMR spectroscopy to measure the magnetic susceptibility, requires the availability of a very pure sample of the paramagnetic compound and its exact concentration. To overcome these limitations, we propose an alternative NMR-based technique for evaluating spin-state populations by only using the chemical shifts of a spin-crossover compound; those can be routinely obtained for a solution that contains unknown impurities and paramagnetic admixtures or is contaminated otherwise.
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
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 ...
On thermodynamic limits of entropy densities
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.
Quantum and thermodynamic aspects of Black Holes
International Nuclear Information System (INIS)
Sande e Lemos, J.P. de; Videira, A.L.L.
1983-01-01
The main results originating from the attempts of trying to incorporate quantum and thermodynamic properties and concepts to the gravitational system black hole, essentially the Hawking effect and the four laws of thermodynamics are reviewed. (Author) [pt
Thermodynamic theory of equilibrium fluctuations
International Nuclear Information System (INIS)
Mishin, Y.
2015-01-01
The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.
Thermodynamic efficiency of nonimaging concentrators
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.
Thermodynamics of asymptotically safe theories
DEFF Research Database (Denmark)
Rischke, Dirk H.; Sannino, Francesco
2015-01-01
We investigate the thermodynamic properties of a novel class of gauge-Yukawa theories that have recently been shown to be completely asymptotically safe, because their short-distance behaviour is determined by the presence of an interacting fixed point. Not only do all the coupling constants freeze...
Thermodynamics of freezing and melting
DEFF Research Database (Denmark)
Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas
2016-01-01
phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio...
Thermodynamical aspects of pulse tubes
Waele, de A.T.A.M.; Steijaert, P.P.; Gijzen, J.
1997-01-01
The cooling power of cryocoolers is determined by the work done by the compressor and the entropy produced by the irreversible processes in the various components of the system. In this paper we discuss the thermodynamics of pulse tubes, but many of the relationships are equally valid for other
Thermodynamics of Oligonucleotide Duplex Melting
Schreiber-Gosche, Sherrie; Edwards, Robert A.
2009-01-01
Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply…
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.
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.
Simulating metabolism with statistical thermodynamics.
Cannon, William R
2014-01-01
New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.
THERMODYNAMICS USED IN ENVIRONMENTAL ENGINEERING
Thermodynamics is a science in which energy transformations are studied as well as their relationships to the changes in the chemical properties of a system. It is the fundamental basis of many engineering fields. The profession of environmental engineering is no exception. In pa...
Thermodynamics on the Molality Scale
Canagaratna, Sebastian G.; Maheswaran, M.
2013-01-01
For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…
A Simple Statistical Thermodynamics Experiment
LoPresto, Michael C.
2010-01-01
Comparing the predicted and actual rolls of combinations of both two and three dice can help to introduce many of the basic concepts of statistical thermodynamics, including multiplicity, probability, microstates, and macrostates, and demonstrate that entropy is indeed a measure of randomness, that disordered states (those of higher entropy) are…
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)
Chemical Thermodynamics and Information Theory with Applications
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
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.
Thermodynamics of statistical inference by cells.
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.
Mallamace, Francesco; Branca, Caterina; Corsaro, Carmelo; Leone, Nancy; Spooren, Jeroen; Chen, Sow-Hsin; Stanley, H Eugene
2010-12-28
It is becoming common practice to partition glass-forming liquids into two classes based on the dependence of the shear viscosity η on temperature T. In an Arrhenius plot, ln η vs 1/T, a strong liquid shows linear behavior whereas a fragile liquid exhibits an upward curvature [super-Arrhenius (SA) behavior], a situation customarily described by using the Vogel-Fulcher-Tammann law. Here we analyze existing data of the transport coefficients of 84 glass-forming liquids. We show the data are consistent, on decreasing temperature, with the onset of a well-defined dynamical crossover η(×), where η(×) has the same value, η(×) ≈ 10(3) Poise, for all 84 liquids. The crossover temperature, T(×), located well above the calorimetric glass transition temperature T(g), marks significant variations in the system thermodynamics, evidenced by the change of the SA-like T dependence above T(×) to Arrhenius behavior below T(×). We also show that below T(×) the familiar Stokes-Einstein relation D/T ∼ η(-1) breaks down and is replaced by a fractional form D/T ∼ η(-ζ), with ζ ≈ 0.85.
International Nuclear Information System (INIS)
Atitoaie, Alexandru; Tanasa, Radu; Enachescu, Cristian
2012-01-01
Spin crossover compounds are photo-magnetic bistable molecular magnets with two states in thermodynamic competition: the diamagnetic low-spin state and paramagnetic high-spin state. The thermal transition between the two states is often accompanied by a wide hysteresis, premise for possible application of these materials as recording media. In this paper we study the influence of the system's size on the thermal hysteresis loops using Monte Carlo simulations based on an Arrhenius dynamics applied for an Ising like model with long- and short-range interactions. We show that using appropriate boundary conditions it is possible to reproduce both the drop of hysteresis width with decreasing particle size, the hysteresis shift towards lower temperatures and the incomplete transition, as in the available experimental data. The case of larger systems composed by several sublattices is equally treated reproducing the shrinkage of the hysteresis loop's width experimentally observed. - Highlights: ► A study concerning size effects in spin crossover nanoparticles hysteresis is presented. ► An Ising like model with short- and long-range interactions and Arrhenius dynamics is employed. ► In open boundary system the hysteresis width decreases with particle size. ► With appropriate environment, hysteresis loop is shifted towards lower temperature and transition is incomplete.
Mesoscopic pairing without superconductivity
Hofmann, Johannes
2017-12-01
We discuss pairing signatures in mesoscopic nanowires with a variable attractive pairing interaction. Depending on the wire length, density, and interaction strength, these systems realize a simultaneous bulk-to-mesoscopic and BCS-BEC crossover, which we describe in terms of the parity parameter that quantifies the odd-even energy difference and generalizes the bulk Cooper pair binding energy to mesoscopic systems. We show that the parity parameter can be extracted from recent measurements of conductance oscillations in SrTiO3 nanowires by Cheng et al. [Nature (London) 521, 196 (2015), 10.1038/nature14398], where it marks the critical magnetic field that separates pair and single-particle currents. Our results place the experiment in the fluctuation-dominated mesoscopic regime on the BCS side of the crossover.
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
49 CFR 236.203 - Hand operated crossover between main tracks; protection.
2010-10-01
...) Electric locking of the switches of the crossover. Signals governing movements over either switch shall... crossover is occupied by a train, locomotive or car in such a manner as to foul the main track. It shall not... electric locking releases. ...
Thermodynamics and statistical mechanics. [thermodynamic properties of gases
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.
Bloom syndrome helicase in meiosis: Pro-crossover functions of an anti-crossover protein.
Hatkevich, Talia; Sekelsky, Jeff
2017-09-01
The functions of the Bloom syndrome helicase (BLM) and its orthologs are well characterized in mitotic DNA damage repair, but their roles within the context of meiotic recombination are less clear. In meiotic recombination, multiple repair pathways are used to repair meiotic DSBs, and current studies suggest that BLM may regulate the use of these pathways. Based on literature from Saccharomyces cerevisiae, Arabidopsis thaliana, Mus musculus, Drosophila melanogaster, and Caenorhabditis elegans, we present a unified model for a critical meiotic role of BLM and its orthologs. In this model, BLM and its orthologs utilize helicase activity to regulate the use of various pathways in meiotic recombination by continuously disassembling recombination intermediates. This unwinding activity provides the meiotic program with a steady pool of early recombination substrates, increasing the probability for a DSB to be processed by the appropriate pathway. As a result of BLM activity, crossovers are properly placed throughout the genome, promoting proper chromosomal disjunction at the end of meiosis. This unified model can be used to further refine the complex role of BLM and its orthologs in meiotic recombination. © 2017 WILEY Periodicals, Inc.
Crossover Improvement for the Genetic Algorithm in Information Retrieval.
Vrajitoru, Dana
1998-01-01
In information retrieval (IR), the aim of genetic algorithms (GA) is to help a system to find, in a huge documents collection, a good reply to a query expressed by the user. Analysis of phenomena seen during the implementation of a GA for IR has led to a new crossover operation, which is introduced and compared to other learning methods.…
Bloodcurdling movies and measures of coagulation: Fear Factor crossover trial
Nemeth, Banne; Scheres, Luuk J. J.; Lijfering, Willem M.; Rosendaal, Frits R.
2015-01-01
To assess whether, as has been hypothesised since medieval times, acute fear can curdle blood. Crossover trial. Main meeting room of Leiden University's Department of Clinical Epidemiology, the Netherlands, converted to a makeshift cinema. 24 healthy volunteers aged ≤30 years recruited among
Theoretical Study of Spin Crossover in 30 Iron Complexes
DEFF Research Database (Denmark)
Kepp, Kasper Planeta
2016-01-01
Spin crossover was studied in 30 iron complexes using density functional theory to quantify the direction and magnitude of dispersion, relativistic effects, zero-point energies, and vibrational entropy. Remarkably consistent entropy−enthalpy compensation was identified. Zero-point energies favor...
Crossover to entangled dynamics in polymer solutions and melts
International Nuclear Information System (INIS)
Schweizer, K.S.; Szamel, G.
1995-01-01
A statistical dynamical theory of the crossover from unentangled Rouse dynamics to entangled behavior is constructed for chain polymer solutions and melts. Both time and spatial crossovers in long chain fluids, and the degree of polymerization crossover for short polymers, are treated. The analysis is based on a microscopic theory of the perturbative dynamical corrections to Rouse theory arising from chain connectivity and intermolecular excluded volume forces. The dependence of crossover properties such as the plateau shear modulus and entanglement time and length scale on solution density, solvent quality, and chain statistical segment length are derived by combining the dynamical theory with equilibrium liquid state integral equation methods. Scaling relations are obtained which appear to be in general accord with most experiments on both solutions and melts. The physical origin of the predicted scaling behaviors is the fractional power law temporal decay of the entanglement friction memory function on intermediate time scales, and power law reduced density dependence of the equilibrium force correlations. The theory is also applied to compute the dependence of the chain normal mode relaxation times on polymer density and chain length. Favorable qualitative comparisons with recent neutron spin echo experiments are made. copyright 1995 American Institute of Physics
Activation of coagulation system during air travel: a crossover study
Schreijer, A. J. M.; Cannegieter, S. C.; Meijers, J. C. M.; Middeldorp, S.; Büller, H. R.; Rosendaal, F. R.
2006-01-01
BACKGROUND: There is an increased risk of venous thrombosis after air travel, but the underlying mechanism is unclear. Our aim was to ascertain whether flying leads to a hypercoagulable state. METHODS: We did a crossover study in 71 healthy volunteers (15 men, 56 women), in whom we measured markers
Catalytic Activity Control via Crossover between Two Different Microstructures
Zhou, Yuheng; Zhu, Yihan; Wang, Zhi-Qiang; Zou, Shihui; Ma, Guicen; Xia, Ming; Kong, Xueqian; Xiao, Liping; Gong, Xue-Qing; Fan, Jie
2017-01-01
microstructural control through the crossover between multiply-twinned nanoparticle (MTP) and single crystal (SC) can be readily achieved by solvent post-treatment on gold nanoparticles (AuNPs). Polar solvents (e.g. water, methanol) direct the transformation from
Heme: From quantum spin crossover to oxygen manager of life
DEFF Research Database (Denmark)
Kepp, Kasper Planeta
2016-01-01
The review discusses how the electronic structure of heme explains its central importance to oxygen-based life on Earth. Emphasis is on the chemical bonding of heme, its spin crossover, reversible O2 binding, and O-O bond activation, put in relation to its physiological functions. The review disc...
Influence of crossover methods used by genetic algorithm-based ...
Indian Academy of Sciences (India)
numerical methods like Newton–Raphson, sequential homotopy calculation, Walsh ... But the paper does not touch upon the elements of crossover operators. ... if SHE problems are solved with optimization tools like GA (Schutten ..... Goldberg D E 1989 Genetic algorithms in search, optimization and machine learning.
The thermodynamic-buffer enzymes.
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
What's Mine Is Yours: The Crossover of Day-Specific Self-Esteem
Neff, Angela; Sonnentag, Sabine; Niessen, Cornelia; Unger, Dana
2012-01-01
This diary study examines the daily crossover of self-esteem within working couples. By integrating self-esteem research into the crossover framework, we hypothesized that the day-specific self-esteem experienced by one partner after work crosses over to the other partner. Furthermore, we proposed that this daily crossover process is moderated by…
The OpenCalphad thermodynamic software interface
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
Thermodynamic Model of Spatial Memory
Kaufman, Miron; Allen, P.
1998-03-01
We develop and test a thermodynamic model of spatial memory. Our model is an application of statistical thermodynamics to cognitive science. It is related to applications of the statistical mechanics framework in parallel distributed processes research. Our macroscopic model allows us to evaluate an entropy associated with spatial memory tasks. We find that older adults exhibit higher levels of entropy than younger adults. Thurstone's Law of Categorical Judgment, according to which the discriminal processes along the psychological continuum produced by presentations of a single stimulus are normally distributed, is explained by using a Hooke spring model of spatial memory. We have also analyzed a nonlinear modification of the ideal spring model of spatial memory. This work is supported by NIH/NIA grant AG09282-06.
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
Thermodynamic Geometry and Hawking Radiation
Bellucci, S
2010-01-01
This work explores the role of thermodynamic fluctuations in the two parameter Hawking radiating black hole configurations. The system is characterized by an ensemble of arbitrary mass and radiation frequency of the black holes. In the due course of the Hawking radiations, we find that the intrinsic geometric description exhibits an intriguing set of exact pair correction functions and global correlation lengths. We investigate the nature of the constant amplitude radiation and find that it's not stable under fluctuations of the mass and frequency. Subsequently, the consideration of the York model decreasing amplitude radiation demonstrates that thermodynamic fluctuations are globally stable in the small frequency region. In connection with quantum gravity refinements, we take an account of the logarithmic correction into the constant amplitude and York amplitude over the Hawking radiation. In both considerations, we notice that the nature of the possible parametric fluctuations may precisely be ascertained w...
Statistical thermodynamics of nonequilibrium processes
Keizer, Joel
1987-01-01
The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and...
Thermodynamical properties of dark energy
International Nuclear Information System (INIS)
Gong Yungui; Wang Bin; Wang Anzhong
2007-01-01
We have investigated the thermodynamical properties of dark energy. Assuming that the dark energy temperature T∼a -n and considering that the volume of the Universe enveloped by the apparent horizon relates to the temperature, we have derived the dark energy entropy. For dark energy with constant equation of state w>-1 and the generalized Chaplygin gas, the derived entropy can be positive and satisfy the entropy bound. The total entropy, including those of dark energy, the thermal radiation, and the apparent horizon, satisfies the generalized second law of thermodynamics. However, for the phantom with constant equation of state, the positivity of entropy, the entropy bound, and the generalized second law cannot be satisfied simultaneously
Modern Thermodynamics with Statistical Mechanics
Helrich, Carl S
2009-01-01
With the aim of presenting thermodynamics in as simple and as unified a form as possible, this textbook starts with an introduction to the first and second laws and then promptly addresses the complete set of the potentials in a subsequent chapter and as a central theme throughout. Before discussing modern laboratory measurements, the book shows that the fundamental quantities sought in the laboratory are those which are required for determining the potentials. Since the subjects of thermodynamics and statistical mechanics are a seamless whole, statistical mechanics is treated as integral part of the text. Other key topics such as irreversibility, the ideas of Ilya Prigogine, chemical reaction rates, equilibrium of heterogeneous systems, and transition-state theory serve to round out this modern treatment. An additional chapter covers quantum statistical mechanics due to active current research in Bose-Einstein condensation. End-of-chapter exercises, chapter summaries, and an appendix reviewing fundamental pr...
Thermodynamics of Dipolar Chain Systems
International Nuclear Information System (INIS)
Armstrong, J.R.; Zinner, N.T.; Fedorov, D.V.; Jensen, A.S.
2013-01-01
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects of the intralayer repulsion and quantum statistical requirements in systems with more than one chain. Specifically, we consider the case of two chains and solve the problem analytically within the harmonic Hamiltonian approach which is accurate for large dipole moments. The case of three chains is calculated numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments. (author)
Association theories for complex thermodynamics
DEFF Research Database (Denmark)
Kontogeorgis, Georgios; Rafiqul Gani
2013-01-01
of this review is two-fold: first to illustrate some of the significant capabilities of these association theories and why indeed they have already been extensively used and are expected to find even more applications in the future. The second and most important aspect of this review is to outline many...... applications. While specialized models can handle different cases, even complex ones, with the advent of powerful theories and computers there is the hope that a single or a few models could be suitable for a general modeling of complex thermodynamics. After more than 100 years with active use of thermodynamic...... models, we have now come to the understanding that simple one-fluid theories like the cubic equations of state or the various forms of local composition models will never be able to model a wide range of complex systems with sufficient accuracy. While various modern approaches have appeared, one very...
Chiral thermodynamics of nuclear matter
Energy Technology Data Exchange (ETDEWEB)
Fiorilla, Salvatore
2012-10-23
The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.
Thermodynamic properties of sea air
Directory of Open Access Journals (Sweden)
R. Feistel
2010-02-01
Full Text Available Very accurate thermodynamic potential functions are available for fluid water, ice, seawater and humid air covering wide ranges of temperature and pressure conditions. They permit the consistent computation of all equilibrium properties as, for example, required for coupled atmosphere-ocean models or the analysis of observational or experimental data. With the exception of humid air, these potential functions are already formulated as international standards released by the International Association for the Properties of Water and Steam (IAPWS, and have been adopted in 2009 for oceanography by IOC/UNESCO.
In this paper, we derive a collection of formulas for important quantities expressed in terms of the thermodynamic potentials, valid for typical phase transitions and composite systems of humid air and water/ice/seawater. Particular attention is given to equilibria between seawater and humid air, referred to as "sea air" here. In a related initiative, these formulas will soon be implemented in a source-code library for easy practical use. The library is primarily aimed at oceanographic applications but will be relevant to air-sea interaction and meteorology as well.
The formulas provided are valid for any consistent set of suitable thermodynamic potential functions. Here we adopt potential functions from previous publications in which they are constructed from theoretical laws and empirical data; they are briefly summarized in the appendix. The formulas make use of the full accuracy of these thermodynamic potentials, without additional approximations or empirical coefficients. They are expressed in the temperature scale ITS-90 and the 2008 Reference-Composition Salinity Scale.
Improved Estimates of Thermodynamic Parameters
Lawson, D. D.
1982-01-01
Techniques refined for estimating heat of vaporization and other parameters from molecular structure. Using parabolic equation with three adjustable parameters, heat of vaporization can be used to estimate boiling point, and vice versa. Boiling points and vapor pressures for some nonpolar liquids were estimated by improved method and compared with previously reported values. Technique for estimating thermodynamic parameters should make it easier for engineers to choose among candidate heat-exchange fluids for thermochemical cycles.
Statistics and thermodynamics of fracture
Chudnovsky, A.
1984-01-01
A probabilistic model of the fracture processes unifying the phenomenological study of long term strength of materials, fracture mechanics and statistical approaches to fracture is briefly outlined. The general framework of irreversible thermodynamics is employed to model the deterministic side of the failure phenomenon. The stochastic calculus is used to account for thg failure mechanisms controlled by chance; particularly, the random roughness of fracture surfaces.
Thermodynamic data for uranium fluorides
International Nuclear Information System (INIS)
Leitnaker, J.M.
1983-03-01
Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF 4 and UF 6 , including UF 4 (solid and gas), U 4 F 17 (solid), U 2 F 9 (solid), UF 5 (solid and gas), U 2 F 10 (gas), and UF 6 (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior
THERMODYNAMIC MODEL OF GAS HYDRATES
Недоступ, В. И.; Недоступ, О. В.
2015-01-01
The interest to gas hydrates grows last years. Therefore working out of reliable settlement-theoretical methods of definition of their properties is necessary. The thermodynamic model of gas hydrates in which the central place occupies a behaviour of guest molecule in cell is described. The equations of interaction of molecule hydrate formative gas with cell are received, and also an enthalpy and energy of output of molecule from a cell are determined. The equation for calculation of thermody...
Chiral thermodynamics of nuclear matter
International Nuclear Information System (INIS)
Fiorilla, Salvatore
2012-01-01
The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.
Thermodynamic evolution far from equilibrium
Khantuleva, Tatiana A.
2018-05-01
The presented model of thermodynamic evolution of an open system far from equilibrium is based on the modern results of nonequilibrium statistical mechanics, the nonlocal theory of nonequilibrium transport developed by the author and the Speed Gradient principle introduced in the theory of adaptive control. Transition to a description of the system internal structure evolution at the mesoscopic level allows a new insight at the stability problem of non-equilibrium processes. The new model is used in a number of specific tasks.
Chen, Sow-Hsin; Baglioni, Piero
2012-02-01
protein hydration water Francesco Mallamace, Carmelo Corsaro, Piero Baglioni, Emiliano Fratini and Sow-Hsin Chen Common features in the microscopic dynamics of hydration water on organic and inorganic surfacesE Mamontov, H O'Neill, Q Zhang, W Wang and D J Wesolowski Water dynamics as affected by interaction with biomolecules and change of thermodynamic state: a neutron scattering studyA Orecchini, A Paciaroni, C Petrillo, F Sebastiani, A De Francesco and F Sacchetti Temperature dependence of structure and density for D2O confined in MCM-41-SWilliam A Kamitakahara, Antonio Faraone, Kao-Hsiang Liu and Chung-Yuan Mou Density profile of water confined in cylindrical pores in MCM-41 silicaAlan K Soper Dynamic crossover in hydration water of curing cement paste: the effect of superplasticizerHua Li, Wei-Shan Chiang, Emiliano Fratini, Francesca Ridi, Francesco Bausi, Piero Baglioni, Madhu Tyagi and Sow-Hsin Chen Water confined in MCM-41: a mode coupling theory analysisP Gallo, M Rovere and S-H Chen Computer simulations of dynamic crossover phenomena in nanoconfined waterG B Suffritti, P Demontis, J Gulín-Gonźlez and M Masia Hydrophobic nanoconfinement suppresses fluctuations in supercooled waterE G Strekalova, M G Mazza, H E Stanley and G Franzese Other glass-forming liquids Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirinYang Zhang, Madhusudan Tyagi, Eugene Mamontov and Sow-Hsin Chen Colloids Phase diagram of trivalent and pentavalent patchy particlesFlavio Romano, Eduardo Sanz, Piero Tartaglia and Francesco Sciortino Distinguishing the monomer to cluster phase transition in concentrated lysozyme solutions by studying the temperature dependence of the short-time dynamicsPéter Falus, Lionel Porcar, Emiliano Fratini, Wei-Ren Chen, Antonio Faraone, Kunlun Hong, Piero Baglioni and Yun Liu Contrast variation in spin-echo small angle neutron scatteringXin Li, Bin Wu, Yun Liu, Roger Pynn, Chwen-Yang Shew, Gregory S Smith, Kenneth W
Smith, Aynsley M; Krause, David A; Stuart, Michael J; Montelpare, William J; Sorenson, Matthew C; Link, Andrew A; Gaz, Daniel V; Twardowski, Casey P; Larson, Dirk R; Stuart, Michael B
2013-12-01
Ice hockey requires frequent skater crossovers to execute turns. Our investigation aimed to determine the effectiveness of training crossovers on a motorized, polyethylene high-resistance flywheel. We hypothesized that high school hockey players training on the flywheel would perform as well as their peers training on ice. Participants were 23 male high-school hockey players (age 15-19 years). The study used an experimental prospective design to compare players who trained for 9 sessions on the 22-foot flywheel with players who trained for 9 sessions on a similarly sized on-ice circle. Both groups were compared with control subjects who were randomly selected from the same participant pool as those training on ice. All players were tested before and after their 3-week training regimens, and control subjects were asked to not practice crossovers between testing. Group 1 trained in a hockey training facility housing the flywheel, and group 2 trained in the ice hockey arena where testing occurred. Primary outcome measures tested in both directions were: (a) speed (time in seconds) required to skate crossovers for 3 laps of a marked face-off circle, (b) cadence of skating crossovers on the similarly sized circles, and (c) a repeat interval speed test, which measures anaerobic power. No significant changes were found between groups in on-ice testing before and after training. Among the group 1 players, 7 of 8 believed they benefited from flywheel training. Group 2 players, who trained on ice, did not improve performance significantly over group 1 players. Despite the fact that no significant on-ice changes in performance were observed in objective measures, players who trained on the flywheel subjectively reported that the flywheel is an effective cost-effective alternative to training on ice. This is a relevant finding when placed in context with limited availability of on-ice training.
Biochemical thermodynamics: applications of Mathematica.
Alberty, Robert A
2006-01-01
The most efficient way to store thermodynamic data on enzyme-catalyzed reactions is to use matrices of species properties. Since equilibrium in enzyme-catalyzed reactions is reached at specified pH values, the thermodynamics of the reactions is discussed in terms of transformed thermodynamic properties. These transformed thermodynamic properties are complicated functions of temperature, pH, and ionic strength that can be calculated from the matrices of species values. The most important of these transformed thermodynamic properties is the standard transformed Gibbs energy of formation of a reactant (sum of species). It is the most important because when this function of temperature, pH, and ionic strength is known, all the other standard transformed properties can be calculated by taking partial derivatives. The species database in this package contains data matrices for 199 reactants. For 94 of these reactants, standard enthalpies of formation of species are known, and so standard transformed Gibbs energies, standard transformed enthalpies, standard transformed entropies, and average numbers of hydrogen atoms can be calculated as functions of temperature, pH, and ionic strength. For reactions between these 94 reactants, the changes in these properties can be calculated over a range of temperatures, pHs, and ionic strengths, and so can apparent equilibrium constants. For the other 105 reactants, only standard transformed Gibbs energies of formation and average numbers of hydrogen atoms at 298.15 K can be calculated. The loading of this package provides functions of pH and ionic strength at 298.15 K for standard transformed Gibbs energies of formation and average numbers of hydrogen atoms for 199 reactants. It also provides functions of temperature, pH, and ionic strength for the standard transformed Gibbs energies of formation, standard transformed enthalpies of formation, standard transformed entropies of formation, and average numbers of hydrogen atoms for 94
Individual and crossover effects of stress on adjustment in medical student marriages.
Katz, J; Monnier, J; Libet, J; Shaw, D; Beach, S R
2000-07-01
High-stress individuals may benefit from social support, although their support providers may be adversely affected via stress crossover effects. Individual and crossover effects of perceived stress within medical student marriages (n = 30) were investigated. Perceived spousal support was positively associated with individuals' own marital and emotional adjustment, attenuating stress effects. With regard to crossover effects, medical students' perceived stress was significantly associated with their spouses' emotional adjustment. Further, medical students' own emotional adjustment fully mediated this crossover effect. Results suggest that the contagion of negative affect may serve as a key mechanism through which stress crossover effects operate in marriage.
Thermodynamic Studies for Drug Design and Screening
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
Thermodynamic studies for drug design and screening.
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.
DMFC performance and methanol cross-over: Experimental analysis and model validation
Energy Technology Data Exchange (ETDEWEB)
Casalegno, A.; Marchesi, R. [Dipartimento di Energia, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)
2008-10-15
A combined experimental and modelling approach is proposed to analyze methanol cross-over and its effect on DMFC performance. The experimental analysis is performed in order to allow an accurate investigation of methanol cross-over influence on DMFC performance, hence measurements were characterized in terms of uncertainty and reproducibility. The findings suggest that methanol cross-over is mainly determined by diffusion transport and affects cell performance partly via methanol electro-oxidation at the cathode. The modelling analysis is carried out to further investigate methanol cross-over phenomenon. A simple model evaluates the effectiveness of two proposed interpretations regarding methanol cross-over and its effects. The model is validated using the experimental data gathered. Both the experimental analysis and the proposed and validated model allow a substantial step forward in the understanding of the main phenomena associated with methanol cross-over. The findings confirm the possibility to reduce methanol cross-over by optimizing anode feeding. (author)
Investigation of iron spin crossover pressure in Fe-bearing MgO using hybrid functional
Cheng, Ya; Wang, Xianlong; Zhang, Jie; Yang, Kaishuai; Zhang, Chuanguo; Zeng, Zhi; Lin, Haiqin
2018-04-01
Pressure-induced spin crossover behaviors of Fe-bearing MgO were widely investigated by using an LDA + U functional for describing the strongly correlated Fe–O bonding. Moreover, the simulated spin crossover pressures depend on the applied U values, which are sensitive to environments and parameters. In this work, the spin crossover pressures of (Mg1‑x ,Fe x )O are investigated by using the hybrid functional with a uniform parameter. Our results indicate that the spin crossover pressures increase with increasing iron concentration. For example, the spin crossover pressure of (Mg0.03125,Fe0.96875)O and FeO was 56 GPa and 127 GPa, respectively. The calculated crossover pressures agreed well with the experimental observations. Therefore, the hybrid functional should be an effective method for describing the pressure-induced spin crossover behaviors in transition metal oxides.
Persistent User Bias in Case-Crossover Studies in Pharmacoepidemiology
DEFF Research Database (Denmark)
Hallas, Jesper; Pottegård, Anton; Wang, Shirley
2016-01-01
Studying the effect of chronic medication exposure by means of a case-crossover design may result in an upward-biased odds ratio. In this study, our aim was to assess the occurrence of this bias and to evaluate whether it is remedied by including a control group (the case-time-control design...... for the retinal detachment controls were similar, leading to near-null case-time-control estimates for all 3 medication classes. For wrist fracture and stroke, the odds ratios were higher for cases than for controls, and case-time-control odds ratios were consistently above unity, thus implying significant...... residual bias. In case-crossover studies of medications, contamination by persistent users confers a moderate bias upward, which is partly remedied by using a control group. The optimal strategy for dealing with this problem is currently unknown....
Hyperon puzzle, hadron-quark crossover and massive neutron stars
International Nuclear Information System (INIS)
Masuda, Kota; Hatsuda, Tetsuo; Takatsuka, Tatsuyuki
2016-01-01
Bulk properties of cold and hot neutron stars are studied on the basis of the hadron-quark crossover picture where a smooth transition from the hadronic phase to the quark phase takes place at finite baryon density. By using a phenomenological equation of state (EOS) ''CRover'', which interpolates the two phases at around 3 times the nuclear matter density (ρ 0 ), it is found that the cold NSs with the gravitational mass larger than 2M CircleDot can be sustained. This is in sharp contrast to the case of the first-order hadron-quark transition. The radii of the cold NSs with the CRover EOS are in the narrow range (12.5 ± 0.5) km which is insensitive to the NS masses. Due to the stiffening of the EOS induced by the hadron-quark crossover, the central density of the NSs is at most 4 ρ 0 and the hyperon-mixing barely occurs inside the NS core. This constitutes a solution of the long-standing hyperon puzzle. The effect of color superconductivity (CSC) on the NS structures is also examined with the hadron-quark crossover. For the typical strength of the diquark attraction, a slight softening of the EOS due to two-flavor CSC (2SC) takes place and the maximum mass is reduced by about 0.2M CircleDot . The CRover EOS is generalized to the supernova matter at finite temperature to describe the hot NSs at birth. The hadron-quark crossover is found to decrease the central temperature of the hot NSs under isentropic condition. The gravitational energy release and the spin-up rate during the contraction from the hot NS to the cold NS are also estimated. (orig.)
Hyperon puzzle, hadron-quark crossover and massive neutron stars
Energy Technology Data Exchange (ETDEWEB)
Masuda, Kota [The University of Tokyo, Department of Physics, Tokyo (Japan); Nishina Center, RIKEN, Theoretical Research Division, Wako (Japan); Hatsuda, Tetsuo [Nishina Center, RIKEN, Theoretical Research Division, Wako (Japan); The University of Tokyo, Kavli IPMU (WPI), Chiba (Japan); Takatsuka, Tatsuyuki [Nishina Center, RIKEN, Theoretical Research Division, Wako (Japan)
2016-03-15
Bulk properties of cold and hot neutron stars are studied on the basis of the hadron-quark crossover picture where a smooth transition from the hadronic phase to the quark phase takes place at finite baryon density. By using a phenomenological equation of state (EOS) ''CRover'', which interpolates the two phases at around 3 times the nuclear matter density (ρ{sub 0}), it is found that the cold NSs with the gravitational mass larger than 2M {sub CircleDot} can be sustained. This is in sharp contrast to the case of the first-order hadron-quark transition. The radii of the cold NSs with the CRover EOS are in the narrow range (12.5 ± 0.5) km which is insensitive to the NS masses. Due to the stiffening of the EOS induced by the hadron-quark crossover, the central density of the NSs is at most 4 ρ{sub 0} and the hyperon-mixing barely occurs inside the NS core. This constitutes a solution of the long-standing hyperon puzzle. The effect of color superconductivity (CSC) on the NS structures is also examined with the hadron-quark crossover. For the typical strength of the diquark attraction, a slight softening of the EOS due to two-flavor CSC (2SC) takes place and the maximum mass is reduced by about 0.2M {sub CircleDot}. The CRover EOS is generalized to the supernova matter at finite temperature to describe the hot NSs at birth. The hadron-quark crossover is found to decrease the central temperature of the hot NSs under isentropic condition. The gravitational energy release and the spin-up rate during the contraction from the hot NS to the cold NS are also estimated. (orig.)
Vortex profiles and vortex interactions at the electroweak crossover
Chernodub, M. N.; Ilgenfritz, E. -M.; Schiller, A.
1999-01-01
Local correlations of Z-vortex operators with gauge and Higgs fields (lattice quantum vortex profiles) as well as vortex two-point functions are studied in the crossover region near a Higgs mass of 100 GeV within the 3D SU(2) Higgs model. The vortex profiles resemble certain features of the classical vortex solutions in the continuum. The vortex-vortex interactions are analogous to the interactions of Abrikosov vortices in a type-I superconductor.
Crossover from Nonequilibrium Fractal Growth to Equilibrium Compact Growth
DEFF Research Database (Denmark)
Sørensen, Erik Schwartz; Fogedby, Hans C.; Mouritsen, Ole G.
1988-01-01
Solidification controlled by vacancy diffusion is studied by Monte Carlo simulations of a two-dimensional Ising model defined by a Hamiltonian which models a thermally driven fluid-solid phase transition. The nonequilibrium morphology of the growing solid is studied as a function of time as the s...... as the system relaxes into equilibrium described by a temperature. At low temperatures the model exhibits fractal growth at early times and crossover to compact solidification as equilibrium is approached....
Elastic scattering crossovers from 50 to 175 GeV
International Nuclear Information System (INIS)
Anderson, R.L.; Ayres, D.S.; Barton, D.S.; Brenner, A.E.; Butler, J.; Cutts, D.; DeMarzo, C.; Diebold, R.; Elias, J.E.; Fines, J.; Friedman, J.I.; Gittelman, B.; Gottschalk, B.; Guerriero, L.; Gustavson, D.; Kendall, H.W.; Lanou, R.E.; Lavopa, P.; Levinson, L.J.; Litt, J.; Loh, E.; Maclay, G.J.; Maggi, G.; Massimo, J.T.; Meunier, R.; Mikenberg, G.; Nelson, B.; Posa, F.; Rich, K.; Ritson, D.M.; Rosenson, L.; Selvaggi, G.; Sogard, M.; Spinelli, P.; Verdier, R.; Waldner, F.; Weitsch, G.A.
1976-01-01
A comparison of K/sup plus-or-minus/p and p/sup plus-or-minus/p elastic scattering is made for incident energy 50 to 175 GeV. Average values of 0.19 +- 0.04 and 0.11 +- 0.02 GeV 2 were found for the invariant-momentum-transfer values of the Kp and pp crossover points, respectively
Thermodynamics for Chemists, Physicists and Engineers
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...
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.
Microbial diversity arising from thermodynamic constraints
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
Microbial diversity arising from thermodynamic constraints.
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.
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
Pressure and Temperature Spin Crossover Sensors with Optical Detection
Linares, Jorge; Codjovi, Epiphane; Garcia, Yann
2012-01-01
Iron(II) spin crossover molecular materials are made of coordination centres switchable between two states by temperature, pressure or a visible light irradiation. The relevant macroscopic parameter which monitors the magnetic state of a given solid is the high-spin (HS) fraction denoted nHS, i.e., the relative population of HS molecules. Each spin crossover material is distinguished by a transition temperature T1/2 where 50% of active molecules have switched to the low-spin (LS) state. In strongly interacting systems, the thermal spin switching occurs abruptly at T1/2. Applying pressure induces a shift from HS to LS states, which is the direct consequence of the lower volume for the LS molecule. Each material has thus a well defined pressure value P1/2. In both cases the spin state change is easily detectable by optical means thanks to a thermo/piezochromic effect that is often encountered in these materials. In this contribution, we discuss potential use of spin crossover molecular materials as temperature and pressure sensors with optical detection. The ones presenting smooth transitions behaviour, which have not been seriously considered for any application, are spotlighted as potential sensors which should stimulate a large interest on this well investigated class of materials. PMID:22666041
Crossover phenomena in the critical range near magnetic ordering transition
Köbler, U.
2018-05-01
Among the most important issues of Renormalization Group (RG) theory are crossover events and relevant (or non-relevant) interactions. These terms are unknown to atomistic theories but they will be decisive for future field theories of magnetism. In this experimental study the importance of these terms for the critical dynamics above and below magnetic ordering transition is demonstrated on account of new analyses of published data. When crossover events are overlooked and critical data are fitted by a single power function of temperature over a temperature range including a crossover event, imprecise critical exponents result. The rather unsystematic and floating critical exponents reported in literature seem largely to be due to this problem. It is shown that for appropriate data analyses critical exponents are obtained that are to a good approximation rational numbers. In fact, rational critical exponents can be expected when spin dynamics is controlled by the bosons of the continuous magnetic medium (Goldstone bosons). The bosons are essentially magnetic dipole radiation generated by the precessing spins. As a result of the here performed data analyses, critical exponents for the magnetic order parameter of β = 1/2, 1/3, 1/4 and 1/6 are obtained. For the critical paramagnetic susceptibility the exponents are γ = 1 and γ = 4/3.
Crossover integral equation theory for the liquid structure study
International Nuclear Information System (INIS)
Lai, S.K.; Chen, H.C.
1994-08-01
The main purpose of this work is to report on a calculation that describes the role of the long-range bridge function [H. Iyetomi and S. Ichimaru, Phys. Rev. A 25, 2434 (1982)] as applied to the study of structure of simple liquid metals. It was found here that this bridge function accounts pretty well for the major part of long-range interactions but is physically inadequate for describing the short-range part of liquid structure. To improve on the theory we have drawn attention to the crossover integral equation method which, in essence, amounts to adding to the above bridge function a short-range correction of bridge diagrams. The suggested crossover procedure has been tested for the case of liquid metal Cs. Remarkably good agreement with experiment was obtained confirming our conjecture that the crossover integral equation approach as stressed in this work is potentially an appropriate theory for an accurate study of liquid structure possibly for the supercooled liquid regime. (author). 21 refs, 3 figs
Surface-environment effects in spin crossover solids
Energy Technology Data Exchange (ETDEWEB)
Gudyma, Iu., E-mail: yugudyma@gmail.com; Maksymov, A.
2017-06-15
Highlights: • The spin-crossover nanocrystals were described by modified Ising-like model. • The ligand field on the surface is a function of external fluctuations. • The thermal hysteresis with surface and bulk interactions of the lattice was studied. • The system behavior with fluctuating ligand field on the surface was examined. • The fluctuations enlarge the hysteresis, but smaller surface interaction narrows it. - Abstract: The impact of surface effects on thermal induced spin crossover phenomenon is a subject of a broad and current interest. Using the modified Ising-like model of spin crossover solids with the ligand field as function of the molecule’ positions and random component on surface by means of Metropolis Monte Carlo algorithm the thermal spin transition curves were calculated. The analysis of spin configuration during transition gives a general idea about contribution of molecules from the surface and inside the lattice into resulting magnetization of the systems. The behavior of hysteresis loop for various surface coupling and fluctuations strength has been described.
Thermodynamics of random reaction networks.
Directory of Open Access Journals (Sweden)
Jakob Fischer
Full Text Available Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.
Thermodynamics of random reaction networks.
Fischer, Jakob; Kleidon, Axel; Dittrich, Peter
2015-01-01
Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.
Thermodynamics and life span estimation
International Nuclear Information System (INIS)
Kuddusi, Lütfullah
2015-01-01
In this study, the life span of people living in seven regions of Turkey is estimated by applying the first and second laws of thermodynamics to the human body. The people living in different regions of Turkey have different food habits. The first and second laws of thermodynamics are used to calculate the entropy generation rate per unit mass of a human due to the food habits. The lifetime entropy generation per unit mass of a human was previously found statistically. The two entropy generations, lifetime entropy generation and entropy generation rate, enable one to determine the life span of people living in seven regions of Turkey with different food habits. In order to estimate the life span, some statistics of Turkish Statistical Institute regarding the food habits of the people living in seven regions of Turkey are used. The life spans of people that live in Central Anatolia and Eastern Anatolia regions are the longest and shortest, respectively. Generally, the following inequality regarding the life span of people living in seven regions of Turkey is found: Eastern Anatolia < Southeast Anatolia < Black Sea < Mediterranean < Marmara < Aegean < Central Anatolia. - Highlights: • The first and second laws of thermodynamics are applied to the human body. • The entropy generation of a human due to his food habits is determined. • The life span of Turks is estimated by using the entropy generation method. • Food habits of a human have effect on his life span
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
An introduction to statistical thermodynamics
Hill, Terrell L
1987-01-01
""A large number of exercises of a broad range of difficulty make this book even more useful…a good addition to the literature on thermodynamics at the undergraduate level."" - Philosophical MagazineAlthough written on an introductory level, this wide-ranging text provides extensive coverage of topics of current interest in equilibrium statistical mechanics. Indeed, certain traditional topics are given somewhat condensed treatment to allow room for a survey of more recent advances.The book is divided into four major sections. Part I deals with the principles of quantum statistical mechanics a
Thermodynamic basis for cluster kinetics
DEFF Research Database (Denmark)
Hu, Lina; Bian, Xiufang; Qin, Xubo
2006-01-01
Due to the inaccessibility of the supercooled region of marginal metallic glasses (MMGs) within the experimental time window, we study the cluster kinetics above the liquidus temperature, Tl, to acquire information on the fragility of the MMG systems. Thermodynamic basis for the stability...... of locally ordered structure in the MMG liquids is discussed in terms of the two-order-parameter model. It is found that the Arrhenius activation energy of clusters, h, is proportional to the chemical mixing enthalpy of alloys, Hchem. Fragility of the MMG forming liquids can be described by the ratio...
Thermodynamics of the hot BIon
DEFF Research Database (Denmark)
Grignani, Gianluca; Harmark, Troels; Marini, Andrea
2011-01-01
We investigate the thermodynamics of the recently obtained nite temperature BIon solution of arXiv:1012.1494, focusing on two aspects. The first concerns comparison of the free energy of the three available phases for the finite temperature brane-antibrane wormhole configuration. Based on this we...... propose a heuristic picture for the dynamics of the phases that involves a critical temperature below which a stable phase exists. This stable phase is the finite temperature analogue of the thin throat branch of the extremal brane anti-brane wormhole configuration. The second aspect that we consider...
Thermodynamic data for uranium fluorides
Energy Technology Data Exchange (ETDEWEB)
Leitnaker, J.M.
1983-03-01
Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF/sub 4/ and UF/sub 6/, including UF/sub 4/ (solid and gas), U/sub 4/F/sub 17/ (solid), U/sub 2/F/sub 9/ (solid), UF/sub 5/ (solid and gas), U/sub 2/F/sub 10/ (gas), and UF/sub 6/ (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior.
Some problems in relativistic thermodynamics
International Nuclear Information System (INIS)
Veitsman, E. V.
2007-01-01
The relativistic equations of state for ideal and real gases, as well as for various interface regions, have been derived. These dependences help to eliminate some controversies in the relativistic thermodynamics based on the special theory of relativity. It is shown, in particular, that the temperature of system whose velocity tends to the velocity of light in vacuum varies in accordance with the Ott law T = T 0 /√1 - v 2 /c 2 . Relativistic dependences for heat and mass transfer, for Ohm's law, and for a viscous flow of a liquid have also been derived
Thermodynamic laws in isolated systems.
Hilbert, Stefan; Hänggi, Peter; Dunkel, Jörn
2014-12-01
The recent experimental realization of exotic matter states in isolated quantum systems and the ensuing controversy about the existence of negative absolute temperatures demand a careful analysis of the conceptual foundations underlying microcanonical thermostatistics. Here we provide a detailed comparison of the most commonly considered microcanonical entropy definitions, focusing specifically on whether they satisfy or violate the zeroth, first, and second laws of thermodynamics. Our analysis shows that, for a broad class of systems that includes all standard classical Hamiltonian systems, only the Gibbs volume entropy fulfills all three laws simultaneously. To avoid ambiguities, the discussion is restricted to exact results and analytically tractable examples.
Thermal physics kinetic theory and thermodynamics
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
Unified geometric description of black hole thermodynamics
International Nuclear Information System (INIS)
Alvarez, Jose L.; Quevedo, Hernando; Sanchez, Alberto
2008-01-01
In the space of thermodynamic equilibrium states we introduce a Legendre invariant metric which contains all the information about the thermodynamics of black holes. The curvature of this thermodynamic metric becomes singular at those points where, according to the analysis of the heat capacities, phase transitions occur. This result is valid for the Kerr-Newman black hole and all its special cases and, therefore, provides a unified description of black hole phase transitions in terms of curvature singularities.
Stochastic deformation of a thermodynamic symplectic structure
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...
Irreversible thermodynamics of Poisson processes with reaction.
Méndez, V; Fort, J
1999-11-01
A kinetic model is derived to study the successive movements of particles, described by a Poisson process, as well as their generation. The irreversible thermodynamics of this system is also studied from the kinetic model. This makes it possible to evaluate the differences between thermodynamical quantities computed exactly and up to second-order. Such differences determine the range of validity of the second-order approximation to extended irreversible thermodynamics.
Thermodynamics of Enzyme-Catalyzed Reactions Database
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.
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
Quantum thermodynamics: a nonequilibrium Green's function approach.
Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael
2015-02-27
We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.
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.
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.
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
Coherence and measurement in quantum thermodynamics.
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.
Shchekin, Alexander K; Shabaev, Ilya V; Hellmuth, Olaf
2013-02-07
Thermodynamic and kinetic peculiarities of nucleation, deliquescence and efflorescence transitions in the ensemble of droplets formed on soluble condensation nuclei from a solvent vapor have been considered. The interplay of the effects of solubility and the size of condensation nuclei has been analyzed. Activation barriers for the deliquescence and phase transitions and for the reverse efflorescence transition have been determined as functions of the relative humidity of the vapor-gas atmosphere, initial size, and solubility of condensation nuclei. It has been demonstrated that, upon variations in the relative humidity of the atmosphere, the crossover in thermodynamically stable and unstable variables of the droplet state takes place. The physical meaning of stable and unstable variables has been clarified. The kinetic equations for establishing equilibrium and steady distributions of binary droplets have been solved. The specific times for relaxation, deliquescence and efflorescence transitions have been calculated.
Statistical black-hole thermodynamics
International Nuclear Information System (INIS)
Bekenstein, J.D.
1975-01-01
Traditional methods from statistical thermodynamics, with appropriate modifications, are used to study several problems in black-hole thermodynamics. Jaynes's maximum-uncertainty method for computing probabilities is used to show that the earlier-formulated generalized second law is respected in statistically averaged form in the process of spontaneous radiation by a Kerr black hole discovered by Hawking, and also in the case of a Schwarzschild hole immersed in a bath of black-body radiation, however cold. The generalized second law is used to motivate a maximum-entropy principle for determining the equilibrium probability distribution for a system containing a black hole. As an application we derive the distribution for the radiation in equilibrium with a Kerr hole (it is found to agree with what would be expected from Hawking's results) and the form of the associated distribution among Kerr black-hole solution states of definite mass. The same results are shown to follow from a statistical interpretation of the concept of black-hole entropy as the natural logarithm of the number of possible interior configurations that are compatible with the given exterior black-hole state. We also formulate a Jaynes-type maximum-uncertainty principle for black holes, and apply it to obtain the probability distribution among Kerr solution states for an isolated radiating Kerr hole
Thermodynamic features of dioxins’ adsorption
Energy Technology Data Exchange (ETDEWEB)
Prisciandaro, Marina [Department of Industrial and Information Engineering and of Economics, University of L’Aquila, Viale Giovanni Gronchi 18, L’Aquila 67100 (Italy); Piemonte, Vincenzo, E-mail: v.piemonte@unicampus.it [Faculty of Engineering, University Campus Biomedico of Rome, Via Alvaro del Portillo 21, Rome 00128 (Italy); Mazziotti di Celso, Giuseppe [Faculty of Bioscience, University of Teramo, Via R. Balzarini, 1, 64100 Teramo (Italy); Ronconi, Silvia [Arta Abruzzo, Department of L’Aquila, Bazzano (AQ), 67100 L’Aquila (Italy); Capocelli, Mauro [Faculty of Engineering, University Campus Biomedico of Rome, Via Alvaro del Portillo 21, Rome 00128 (Italy)
2017-02-15
Highlights: • We develop the P-T diagram for six PCDD. • We derive theoretical adsorption isotherms according to the Langmuir’s model. • We calculate K and w{sub max} values for several temperatures. • We estimate the adsorption heat with a good agreement with literature data. - Abstract: In this paper, the six more poisonous species among all congeners of dioxin group are taken into account, and the P-T diagram for each of them is developed. Starting from the knowledge of vapour tensions and thermodynamic parameters, the theoretical adsorption isotherms are calculated according to the Langmuir’s model. In particular, the Langmuir isotherm parameters (K and w{sub max}) have been validated through the estimation of the adsorption heat (ΔH{sub ads}), which varies in the range 20–24 kJ/mol, in agreement with literature values. This result will allow to put the thermodynamical basis for a rational design of different process units devoted to dioxins removal.
Bioengineering thermodynamics of biological cells.
Lucia, Umberto
2015-12-01
Cells are open complex thermodynamic systems. They can be also regarded as complex engines that execute a series of chemical reactions. Energy transformations, thermo-electro-chemical processes and transports phenomena can occur across the cells membranes. Moreover, cells can also actively modify their behaviours in relation to changes in their environment. Different thermo-electro-biochemical behaviours occur between health and disease states. But, all the living systems waste heat, which is no more than the result of their internal irreversibility. This heat is dissipated into the environment. But, this wasted heat represent also a sort of information, which outflows from the cell toward its environment, completely accessible to any observer. The analysis of irreversibility related to this wasted heat can represent a new approach to study the behaviour of the cells themselves and to control their behaviours. So, this approach allows us to consider the living systems as black boxes and analyze only the inflows and outflows and their changes in relation to the modification of the environment. Therefore, information on the systems can be obtained by analyzing the changes in the cell heat wasted in relation to external perturbations. The bioengineering thermodynamics bases are summarized and used to analyse possible controls of the calls behaviours based on the control of the ions fluxes across the cells membranes.
Thermodynamical description of excited nuclei
International Nuclear Information System (INIS)
Bonche, P.
1989-01-01
In heavy ion collisions it has been possible to obtain composite systems at rather high excitation energies corresponding to temperatures of several MeV. The theoretical studies of these systems are based on concepts borrowed from thermodynamics or statistical physics, such as the temperature. In these lectures, we present the concepts of statistical physics which are involved in the physics of heavy ion as they are produced nowadays in the laboratory and also during the final stage of a supernova collapse. We do not attempt to describe the reaction mechanisms which yield such nuclear systems nor their decay by evaporation or fragmentation. We shall only study their static properties. The content of these lectures is organized in four main sections. The first one gives the basic features of statistical physics and thermodynamics necessary to understand quantum mechanics at finite temperature. In the second one, we present a study of the liquid-gas phase transition in nuclear physics. A phenomenological approach of the stability of hot nuclei follows. The microscopic point of view is proposed in the third part. Starting from the basic concepts derived in the first part, it provides a description of excited or hot nuclei which confirms the qualitative results of the second part. Furthermore it gives a full description of most properties of these nuclei as a function of temperature. Finally in the last part, a microscopic derivation of the equation of state of nuclear matter is proposed to study the collapse of a supernova core
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)
Friction Force: From Mechanics to Thermodynamics
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…
Warming to ecocide a thermodynamic diagnosis
Sangster, Alan J
2011-01-01
Suggests a route to avoiding runaway climate change by reinstating the greenhouse thermostat to its full operational capacity Addresses mankind's contribution to climate change from a thermodynamic perspective Describes and illustrates the power of thermodynamics to furnish insights into the thermal behaviour of complex physical systems
The thermodynamic solar energy; Le solaire thermodynamique
Energy Technology Data Exchange (ETDEWEB)
Rivoire, B. [Centre National de la Recherche Scientifique (CNRS-IMP), 66 - Perpignan (France)
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.)
An Experimental Determination of Thermodynamic Values
Antony, Erling; Muccianti, Christine; Vogel, Tracy
2012-01-01
Measurements have been added to an old demonstration of chemical equilibria allowing the determination of thermodynamic constants. The experiment allows the students an opportunity to merge qualitative observations associated with Le Chatelier's principle and thermodynamic calculations using graphical techniques. (Contains 4 figures.)
Statistical mechanics and the foundations of thermodynamics
International Nuclear Information System (INIS)
Loef, A.M.
1979-01-01
An introduction to classical statistical mechanics and its relation to thermodynamics is presented. Emphasis is put on getting a detailed and logical presentation of the foundations of thermodynamics based on the maximum entropy principles which govern the values taken by macroscopic variables according to the laws of large numbers
Impact of Thermodynamic Principles in Systems Biology
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
Detonation Jet Engine. Part 1--Thermodynamic Cycle
Bulat, Pavel V.; Volkov, Konstantin N.
2016-01-01
We present the most relevant works on jet engine design that utilize thermodynamic cycle of detonative combustion. The efficiency advantages of thermodynamic detonative combustion cycle over Humphrey combustion cycle at constant volume and Brayton combustion cycle at constant pressure were demonstrated. An ideal Ficket-Jacobs detonation cycle, and…
Statistical thermodynamics of supercapacitors and blue engines
van Roij, R.H.H.G.
2013-01-01
We study the thermodynamics of electrode-electrolyte systems, for instance supercapacitors filled with an ionic liquid or blue-energy devices filled with river- or sea water. By a suitable mapping of thermodynamic variables, we identify a strong analogy with classical heat engines. We introduce
Thermodynamics of gas adsorption on solid adsorbents
International Nuclear Information System (INIS)
Budrugeac, P.
1979-01-01
Starting with several hypotheses about the adsorbtion system and the adsorption phenomenon, a thermodynamic treatment of gas adsorption on solid adsorbants is presented. The relationships for determination from isotherms and calorimetric data of thermodynamic functions are derived. The problem of the phase changes in adsorbed layer is discussed. (author)
Thermodynamic Ground States of Complex Oxide Heterointerfaces
DEFF Research Database (Denmark)
Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.
2017-01-01
The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...
A Vector Representation for Thermodynamic Relationships
Pogliani, Lionello
2006-01-01
The existing vector formalism method for thermodynamic relationship maintains tractability and uses accessible mathematics, which can be seen as a diverting and entertaining step into the mathematical formalism of thermodynamics and as an elementary application of matrix algebra. The method is based on ideas and operations apt to improve the…
Understanding First Law of Thermodynamics through Activities
Pathare, Shirish; Huli, Saurabhee; Ladage, Savita; Pradhan, H. C.
2018-01-01
The first law of thermodynamics involves several types of energies and many studies have shown that students lack awareness of them. They have difficulties in applying the law to different thermodynamic processes. These observations were confirmed in our pilot studies, carried out with students from undergraduate colleges across the whole of…
Thermodynamical stability of FRW models with quintessence
Sharif, M.; Ashraf, Sara
2018-03-01
In this paper, we study the thermodynamic stability of quintessence in the background of homogeneous and isotropic universe model. For the evolutionary picture, we consider two different forms of potentials and investigate the behavior of different physical parameters. We conclude that the quintessence model expands adiabatically and this expansion is thermodynamically stable for both potentials with suitable model parameters.
Teaching Differentials in Thermodynamics Using Spatial Visualization
Wang, Chih-Yueh; Hou, Ching-Han
2012-01-01
The greatest difficulty that is encountered by students in thermodynamics classes is to find relationships between variables and to solve a total differential equation that relates one thermodynamic state variable to two mutually independent state variables. Rules of differentiation, including the total differential and the cyclic rule, are…
Understanding the Thermodynamics of Biological Order
Peterson, Jacob
2012-01-01
By growth in size and complexity (i.e., changing from more probable to less probable states), plants and animals appear to defy the second law of thermodynamics. The usual explanation describes the input of nutrient and sunlight energy into open thermodynamic systems. However, energy input alone does not address the ability to organize and create…
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)
Introduction to superfluidity field-theoretical approach and applications
Schmitt, Andreas
2015-01-01
Superfluidity – and closely related to it, superconductivity – are very general phenomena that can occur on vastly different energy scales. Their underlying theoretical mechanism of spontaneous symmetry breaking is even more general and applies to a multitude of physical systems. In these lecture notes, a pedagogical introduction to the field-theory approach to superfluidity is presented. The connection to more traditional approaches, often formulated in a different language, is carefully explained in order to provide a consistent picture that is useful for students and researchers in all fields of physics. After introducing the basic concepts, such as the two-fluid model and the Goldstone mode, selected topics of current research are addressed, such as the BCS-BEC crossover and Cooper pairing with mismatched Fermi momenta.
Modern trends in superconductivity and superfluidity
Kagan, M Yu
2013-01-01
This book concisely presents the latest trends in the physics of superconductivity and superfluidity and magnetism in novel systems, as well as the problem of BCS-BEC crossover in ultracold quantum gases and high-Tc superconductors. It further illuminates the intensive exchange of ideas between these closely related fields of condensed matter physics over the last 30 years of their dynamic development. The content is based on the author’s original findings obtained at the Kapitza Institute, as well as advanced lecture courses he held at the Moscow Engineering Physical Institute, Amsterdam University, Loughborough University and LPTMS Orsay between 1994 and 2011. In addition to the findings of his group, the author discusses the most recent concepts in these fields, obtained both in Russia and in the West. The book consists of 16 chapters which are divided into four parts. The first part describes recent developments in superfluid hydrodynamics of quantum fluids and solids, including the fashionable subject...
Cooper-pair size and binding energy for unconventional superconducting systems
Dinóla Neto, F.; Neto, Minos A.; Salmon, Octavio D. Rodriguez
2018-06-01
The main proposal of this paper is to analyze the size of the Cooper pairs composed by unbalanced mass fermions from different electronic bands along the BCS-BEC crossover and study the binding energy of the pairs. We are considering an interaction between fermions with different masses leading to an inter-band pairing. In addiction to the attractive interaction we have an hybridization term to couple both bands, which in general acts unfavorable for the pairing between the electrons. We get first order phase transitions as the hybridization breaks the Cooper pairs for the s-wave symmetry of the gap amplitude. The results show the dependence of the Cooper-pair size as a function of the hybridization for T = 0 . We also propose the structure of the binding energy of the inter-band system as a function of the two-bands quasi-particle energies.
Saberi-Pouya, S.; Zarenia, M.; Perali, A.; Vazifehshenas, T.; Peeters, F. M.
2018-05-01
Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to ˜90 K with onset carrier densities as high as 4 ×1012cm-2 . This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers.
Second sound in a two-dimensional Bose gas: From the weakly to the strongly interacting regime
Ota, Miki; Stringari, Sandro
2018-03-01
Using Landau's theory of two-fluid hydrodynamics, we investigate first and second sounds propagating in a two-dimensional (2D) Bose gas. We study the temperature and interaction dependence of both sound modes and show that their behavior exhibits a deep qualitative change as the gas evolves from the weakly interacting to the strongly interacting regime. Special emphasis is placed on the jump of both sounds at the Berezinskii-Kosterlitz-Thouless transition, caused by the discontinuity of the superfluid density. We find that the excitation of second sound through a density perturbation becomes weaker and weaker as the interaction strength increases as a consequence of the decrease in the thermal expansion coefficient. Our results could be relevant for future experiments on the propagation of sound on the Bose-Einstein condensate (BEC) side of the BCS-BEC crossover of a 2D superfluid Fermi gas.
Thermodynamic extremal principles for irreversible processes in materials science
Czech Academy of Sciences Publication Activity Database
Fischer, F. D.; Svoboda, Jiří; Petryk, H.
2014-01-01
Roč. 67, APR (2014), s. 1-20 ISSN 1359-6454 Institutional support: RVO:68081723 Keywords : Non- equilibrium * Thermodynamics * Entropy * Onsager's principle * Thermodynamic extremal principles Subject RIV: BJ - Thermodynamics Impact factor: 4.465, year: 2014
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
Application of thermodynamics to silicate crystalline solutions
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.
An introduction to thermodynamics and statistical mechanics
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)
Nonequilibrium thermodynamics of restricted Boltzmann machines
Salazar, Domingos S. P.
2017-08-01
In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.
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
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.
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.
eQuilibrator--the biochemical thermodynamics calculator.
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.
Nonequilibrium thermodynamics of restricted Boltzmann machines.
Salazar, Domingos S P
2017-08-01
In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.
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
eQuilibrator—the biochemical thermodynamics calculator
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
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)
Quantification and Sequencing of Crossover Recombinant Molecules from Arabidopsis Pollen DNA.
Choi, Kyuha; Yelina, Nataliya E; Serra, Heïdi; Henderson, Ian R
2017-01-01
During meiosis, homologous chromosomes undergo recombination, which can result in formation of reciprocal crossover molecules. Crossover frequency is highly variable across the genome, typically occurring in narrow hotspots, which has a significant effect on patterns of genetic diversity. Here we describe methods to measure crossover frequency in plants at the hotspot scale (bp-kb), using allele-specific PCR amplification from genomic DNA extracted from the pollen of F 1 heterozygous plants. We describe (1) titration methods that allow amplification, quantification and sequencing of single crossover molecules, (2) quantitative PCR methods to more rapidly measure crossover frequency, and (3) application of high-throughput sequencing for study of crossover distributions within hotspots. We provide detailed descriptions of key steps including pollen DNA extraction, prior identification of hotspot locations, allele-specific oligonucleotide design, and sequence analysis approaches. Together, these methods allow the rate and recombination topology of plant hotspots to be robustly measured and compared between varied genetic backgrounds and environmental conditions.
Thermodynamics of lunar ilmenite reduction
Altenberg, B. H.; Franklin, H. A.; Jones, C. H.
1993-01-01
With the prospect of returning to the moon, the development of a lunar occupation would fulfill one of the goals of the Space Exploration Initiative (SEI) of the late 1980's. Processing lunar resources into useful products, such as liquid oxygen for fuel and life support, would be one of many aspects of an active lunar base. ilmenite (FeTiO3) is found on the lunar surface and can be used as a feed stock to produce oxygen. Understanding the various ilmenite-reduction reactions elucidates many processing options. Defining the thermodynamic chemical behavior at equilibrium under various conditions of temperature and pressures can be helpful in specifying optimal operating conditions. Differences between a previous theoretical analysis and experimentally determined results has sparked interest in trying to understand the effect of operating pressure on the hydrogen-reduction-of-ilmenite reaction. Various aspects of this reduction reaction are discussed.
Some Simple Black Hole Thermodynamics
Lopresto, Michael C.
2003-05-01
In his recent popular book The Universe in a Nutshell, Steven Hawking gives expressions for the entropy1 and temperature (often referred to as the ``Hawking temperature''2 ) of a black hole:3 S = kc34ℏG A T = ℏc38πkGM, where A is the area of the event horizon, M is the mass, k is Boltzmann's constant, ℏ = h2π (h being Planck's constant), c is the speed of light, and G is the universal gravitational constant. These expressions can be used as starting points for some interesting approximations on the thermodynamics of a Schwarzschild black hole, of mass M, which by definition is nonrotating and spherical with an event horizon of radius R = 2GMc2.4,5
Thermodynamics of the near field
International Nuclear Information System (INIS)
Apps, J.A.
1985-01-01
The near field is normally taken to mean the part of the geologic setting of a repository that is affected by mechanical or thermal perturbations resulting from repository excavations and emplacement of radioactive waste. The near-field host rocks, the waste package, and the intervening backfill constitute a series of engineered and natural barriers that should be designed to initially prevent and subsequently control radionuclide release. Nuclear Regulatory Commission regulations 10 CFR part 60 specify that the waste package must not allow any release of radionuclides for at least 300 years, and preferably 1000 years. Thereafter, the release rate of any radionuclide is not to exceed on part in 100,000 per year of the inventory that is calculated to be present 1000 years after closure. In this paper, the author briefly outlines recent developments and identifies important fundamental research in thermodynamics and related areas that is needed to resolve some of the current uncertainties
Thermodynamic condition for ''Gamma'' flotation
International Nuclear Information System (INIS)
Kaoma, J.; Yarar, B.
1989-01-01
Using the definition of the critical surface tension of wetting solids (Γc) and Gibb's adsorption isotherm, coupled with Young-Dupre's equation, the equilibrium thermodynamic condition for 'GAMMA' flotation has been derived. It is defined by the relation, Cos Oe=Γc/Γlg. At equilibrium for 'Gamma' flotation to occur, the liquid/gas interfacial tension (9γlg) should be larger than the critical surface tension of wetting of the solid surface, meaning that the equilibrium contact angle (Oe) should be greater than Zero, or cos Oe < 1, a Pre- requisite for the solid/gas bubble attachment. This definition holds for solid surfaces in the absence of any specific adsorption at the solid/liquid and solid/gas inter faces. Contact angle and flotation data are presented to sustain this definition. (author)., 15 refs., 9 figs
Thermodynamics and mechanisms of sintering
International Nuclear Information System (INIS)
Pask, J.A.
1978-10-01
A phenomenological overview and exploration of the thermodynamic and geometric factors play a role in the process of densification of model compact systems consisting of crystalline spheres of uniform size in regular and irregular packing that form grain boundaries at every contact point. A further assumption is the presence of isotropic surface and grain boundary energies. Although such systems are unrealistic in comparison with normal powder compacts, their potential sintering behavior can be analyzed and provided with a limiting set of behavior conditions which can be looked upon as one boundary condition. This approach is logically realistic since it is easier to understand and provide a basis for understanding the more complex real powder systems
Entropy: From Thermodynamics to Hydrology
Directory of Open Access Journals (Sweden)
Demetris Koutsoyiannis
2014-02-01
Full Text Available Some known results from statistical thermophysics as well as from hydrology are revisited from a different perspective trying: (a to unify the notion of entropy in thermodynamic and statistical/stochastic approaches of complex hydrological systems and (b to show the power of entropy and the principle of maximum entropy in inference, both deductive and inductive. The capability for deductive reasoning is illustrated by deriving the law of phase change transition of water (Clausius-Clapeyron from scratch by maximizing entropy in a formal probabilistic frame. However, such deductive reasoning cannot work in more complex hydrological systems with diverse elements, yet the entropy maximization framework can help in inductive inference, necessarily based on data. Several examples of this type are provided in an attempt to link statistical thermophysics with hydrology with a unifying view of entropy.
Thermodynamic modeling of complex systems
DEFF Research Database (Denmark)
Liang, Xiaodong
after an oil spill. Engineering thermodynamics could be applied in the state-of-the-art sonar products through advanced artificial technology, if the speed of sound, solubility and density of oil-seawater systems could be satisfactorily modelled. The addition of methanol or glycols into unprocessed well...... is successfully applied to model the phase behaviour of water, chemical and hydrocarbon (oil) containing systems with newly developed pure component parameters for water and chemicals and characterization procedures for petroleum fluids. The performance of the PCSAFT EOS on liquid-liquid equilibria of water...... with hydrocarbons has been under debate for some vii years. An interactive step-wise procedure is proposed to fit the model parameters for small associating fluids by taking the liquid-liquid equilibrium data into account. It is still far away from a simple task to apply PC-SAFT in routine PVT simulations and phase...
Thermodynamic scaling behavior in genechips
Directory of Open Access Journals (Sweden)
Van Hummelen Paul
2009-01-01
Full Text Available Abstract Background Affymetrix Genechips are characterized by probe pairs, a perfect match (PM and a mismatch (MM probe differing by a single nucleotide. Most of the data preprocessing algorithms neglect MM signals, as it was shown that MMs cannot be used as estimators of the non-specific hybridization as originally proposed by Affymetrix. The aim of this paper is to study in detail on a large number of experiments the behavior of the average PM/MM ratio. This is taken as an indicator of the quality of the hybridization and, when compared between different chip series, of the quality of the chip design. Results About 250 different GeneChip hybridizations performed at the VIB Microarray Facility for Homo sapiens, Drosophila melanogaster, and Arabidopsis thaliana were analyzed. The investigation of such a large set of data from the same source minimizes systematic experimental variations that may arise from differences in protocols or from different laboratories. The PM/MM ratios are derived theoretically from thermodynamic laws and a link is made with the sequence of PM and MM probe, more specifically with their central nucleotide triplets. Conclusion The PM/MM ratios subdivided according to the different central nucleotides triplets follow qualitatively those deduced from the hybridization free energies in solution. It is shown also that the PM and MM histograms are related by a simple scale transformation, in agreement with what is to be expected from hybridization thermodynamics. Different quantitative behavior is observed on the different chip organisms analyzed, suggesting that some organism chips have superior probe design compared to others.
Modeling the thermodynamics of QCD
Energy Technology Data Exchange (ETDEWEB)
Hell, Thomas
2010-07-26
Strongly interacting (QCD) matter is expected to exhibit a multifaceted phase structure: a hadron gas at low temperatures, a quark-gluon plasma at very high temperatures, nuclear matter in the low-temperature and high-density region, color superconductors at asymptotically high densities. Most of the conjectured phases cannot yet be scrutinized by experiments. Much of the present picture - particularly concerning the intermediate temperature and density area of the phase diagram of QCD matter - is based on model calculations. Further insights come from Lattice-QCD computations. The present thesis elaborates a nonlocal covariant extension of the Nambu and Jona-Lasinio (NJL) model with built-in constraints from the running coupling of QCD at high-momentum and instanton physics at low-momentum scales. We present this model for two and three quark flavors (in the latter case paying particular attention to the axial anomaly). At finite temperatures and densities, gluon dynamics is incorporated through a gluonic background field, expressed in terms of the Polyakov loop (P). The thermodynamics of this nonlocal PNJL model accounts for both chiral and deconfinement transitions. We obtain results in mean-field approximation and beyond, including additional pionic and kaonic contributions to the chiral condensate, the pressure and other thermodynamic quantities. Finally, the nonlocal PNJL model is applied to the finite-density region of the QCD phase diagram; for three quark flavors we investigate, in particular, the dependence of the critical point appearing in the models on the axial anomaly. The thesis closes with a derivation of the nonlocal PNJL model from first principles of QCD. (orig.)
Nanoparticle shape, thermodynamics and kinetics
International Nuclear Information System (INIS)
Marks, L D; Peng, L
2016-01-01
Nanoparticles can be beautiful, as in stained glass windows, or they can be ugly as in wear and corrosion debris from implants. We estimate that there will be about 70 000 papers in 2015 with nanoparticles as a keyword, but only one in thirteen uses the nanoparticle shape as an additional keyword and research focus, and only one in two hundred has thermodynamics. Methods for synthesizing nanoparticles have exploded over the last decade, but our understanding of how and why they take their forms has not progressed as fast. This topical review attempts to take a critical snapshot of the current understanding, focusing more on methods to predict than a purely synthetic or descriptive approach. We look at models and themes which are largely independent of the exact synthetic method whether it is deposition, gas-phase condensation, solution based or hydrothermal synthesis. Elements are old dating back to the beginning of the 20th century—some of the pioneering models developed then are still relevant today. Others are newer, a merging of older concepts such as kinetic-Wulff constructions with methods to understand minimum energy shapes for particles with twins. Overall we find that while there are still many unknowns, the broad framework of understanding and predicting the structure of nanoparticles via diverse Wulff constructions, either thermodynamic, local minima or kinetic has been exceedingly successful. However, the field is still developing and there remain many unknowns and new avenues for research, a few of these being suggested towards the end of the review. (topical review)
Critical crossover phenomena in compatible polymer blends studied with SANS
DEFF Research Database (Denmark)
Schwahn, D.; Janssen, S.; Willner, L.
1995-01-01
Polymer blends show a much larger 3d-Ising regime, e.g. a much larger Ginzburg number Gi than predicted by the Ginzburg criterion. This discrepancy is supposed to be explained by the compressibility or the free volume of the blend. In this paper we present and discuss the Gi number of polymer...... on monomeric microstructure and on pressure. This clearly shows that Gi is not a universal function. The observed strong decrease of Gi with pressure is a clear experimental proof that the critical crossover behaviour in polymer blends is indeed strongly influenced by the compressibility or free volume...
Crossover in tunneling hops in systems of strongly localized electrons
International Nuclear Information System (INIS)
Lien Nguyen, V.; Gamietea, A.D.
1995-11-01
Accurate Monte-Carlo simulation data show a consistent crossover in different characters of tunneling hops in two-dimensional systems of strongly localized electrons in the presence of scattering and quantum interference of hopping paths. The results also suggest a negative answer to the question whether there is a two-dimensional sign phase transition. The fractal behaviour observed in the direction perpendicular to the hopping direction is found to be similar to that for eigenstates in one-dimensional localized systems. (author). 16 refs, 6 figs
Goldstone and Higgs Hydrodynamics in the BCS–BEC Crossover
Directory of Open Access Journals (Sweden)
Luca Salasnich
2017-06-01
Full Text Available We discuss the derivation of a low-energy effective field theory of phase (Goldstone and amplitude (Higgs modes of the pairing field from a microscopic theory of attractive fermions. The coupled equations for Goldstone and Higgs fields are critically analyzed in the Bardeen–Cooper–Schrieffer (BCS-to-Bose–Einstein condensate (BEC crossover—both in three spatial dimensions and in two spatial dimensions. The crucial role of pair fluctuations is investigated, and the beyond-mean-field Gaussian theory of the BCS–BEC crossover is compared with available experimental data of the two-dimensional ultracold Fermi superfluid.
Glycosylation and thermodynamic versus kinetic stability of horseradish peroxidase
DEFF Research Database (Denmark)
Tams, J.W.; Welinder, Karen G.
1998-01-01
Glycoprotein stability, glycoprotein unfolding, horseradish peroxidase, thermodynamic stability, kinetik stability......Glycoprotein stability, glycoprotein unfolding, horseradish peroxidase, thermodynamic stability, kinetik stability...
Thermodynamics of ideal quantum gas with fractional statistics in D dimensions.
Potter, Geoffrey G; Müller, Gerhard; Karbach, Michael
2007-06-01
We present exact and explicit results for the thermodynamic properties (isochores, isotherms, isobars, response functions, velocity of sound) of a quantum gas in dimensions D > or = 1 and with fractional exclusion statistics 0 < or = g < or =1 connecting bosons (g=0) and fermions (g=1) . In D=1 the results are equivalent to those of the Calogero-Sutherland model. Emphasis is given to the crossover between bosonlike and fermionlike features, caused by aspects of the statistical interaction that mimic long-range attraction and short-range repulsion. A phase transition along the isobar occurs at a nonzero temperature in all dimensions. The T dependence of the velocity of sound is in simple relation to isochores and isobars. The effects of soft container walls are accounted for rigorously for the case of a pure power-law potential.
Extended soft wall model with background related to features of QCD thermodynamics
Energy Technology Data Exchange (ETDEWEB)
Zoellner, R.; Kaempfer, B. [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); TU Dresden, Institut fuer Theoretische Physik, Dresden (Germany)
2017-06-15
The soft wall model is extended to accommodate at the same time i) approximately linear ρ meson Regge trajectories at zero temperature T, ii) various options for the thermodynamics with reference to QCD (cross-over or second-order transition or first-order transition at T{sub c}), and iii) the appearance of vector meson states at T
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
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
Spectropolarimetry of magnetic stars. IV. The crossover effect.
Mathys, G.
1995-01-01
This paper is devoted to the study of the crossover effect in magnetic Ap stars. It is shown that this effect can be measured by the second order moment about their centre of the profiles of spectral lines recorded in the Stokes parameter V. The interpretation of these measurements in terms of magnetic field is developed. It is shown that one can derive from them a quantity called the mean asymmetry of the longitudinal magnetic field, which is the first moment of the component of the magnetic field along the line of sight, about the plane defined by the line of sight and the stellar rotation axis. The consistency of the determination of this quantity with that of the mean longitudinal magnetic field from measurements of wavelength shifts of lines between right and left circular polarization is demonstrated. This technique of analysis is applied to observations of a sample of 29 stars, among which 10 have a detectable crossover effect. For 8 of them, the available observational data allow the study of the variations of the asymmetry of the longitudinal field with rotation phase. In most cases, this variation is sinusoidal and essentially symmetric about 0, and it occurs in quadrature with the variation of the mean longitudinal field. A more complex behaviour is definitely observed in HD 147010 and HD 175362, where the variation of the asymmetry of the longitudinal field is better represented by the superposition of two sinusoids, one with the rotation frequency of the star, and the other with twice that frequency.
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.
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
Considerations on non equilibrium thermodynamics of interactions
Lucia, Umberto
2016-04-01
Nature can be considered the ;first; engineer! For scientists and engineers, dynamics and evolution of complex systems are not easy to predict. A fundamental approach to study complex system is thermodynamics. But, the result is the origin of too many schools of thermodynamics with a consequent difficulty in communication between thermodynamicists and other scientists and, also, among themselves. The solution is to obtain a unified approach based on the fundamentals of physics. Here we suggest a possible unification of the schools of thermodynamics starting from two fundamental concepts of physics, interaction and flows.
Improved thermodynamics of SU(2) gauge theory
Energy Technology Data Exchange (ETDEWEB)
Giudice, Pietro [University of Muenster, Institute for Theoretical Physics, Muenster (Germany); Piemonte, Stefano [University of Regensburg, Institute for Theoretical Physics, Regensburg (Germany)
2017-12-15
In this work we present the results of our investigation of the thermodynamics of SU(2) gauge theory. We employ a Symanzik improved action to reduce strongly the discretisations effects, and we use the scaling relations to take into account the finite volume effects close to the critical temperature. We determine the β-function for this particular theory and we use it in the determination of different thermodynamic observables. Finally we compare our results with previous work where only the standard Wilson action was considered. We confirm the relevance of using the improved action to access easily the correct continuum thermodynamics of the theory. (orig.)
Thermodynamical stability of the Bardeen black hole
Energy Technology Data Exchange (ETDEWEB)
Bretón, Nora [Dpto. de Física, Centro de Investigación y de Estudios Avanzados del I. P. N., Apdo. 14-740, D.F. (Mexico); Perez Bergliaffa, Santiago E. [Dpto. de Física, U. Estado do Rio de Janeiro (Brazil)
2014-01-14
We analyze the stability of the regular magnetic Bardeen black hole both thermodynamically and dynamically. For the thermodynamical analysis we consider a microcanonical ensemble and apply the turning point method. This method allows to decide a change in stability (or instability) of a system, requiring only the assumption of smoothness of the area functional. The dynamical stability is asserted using criteria based on the signs of the Lagrangian and its derivatives. It turns out from our analysis that the Bardeen black hole is both thermodynamically and dynamically stable.
Non-equilibrium thermodynamics in cells.
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.
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
Introduction to physics mechanics, hydrodynamics thermodynamics
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
Thermodynamic properties of uranium--mercury system
International Nuclear Information System (INIS)
Lee, T.S.
1979-01-01
The EMF values in the fused salt cells of the type U(α)/KCl--LiCl--BaCl 2 eutectic, UCl 3 /U--Hg alloy, for the different two-phase alloys in the uranium--mercury system have been measured and the thermodynamic properties of this system have been calculated. These calculated values are in good agreement with values based on mercury vapor pressure measurements made by previous investigators. The inconsistency of the thermodynamic properties with the phase diagram determined by Frost are also confirmed. A tentative phase diagram based on the thermodynamic properties measured in this work was constructed
Thermodynamic laws apply to brain function.
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.
Entropy and energy quantization: Planck thermodynamic calculation
International Nuclear Information System (INIS)
Mota e Albuquerque, Ivone Freire da.
1988-01-01
This dissertation analyses the origins and development of the concept of entropy and its meaning of the second Law of thermodynamics, as well as the thermodynamics derivation of the energy quantization. The probabilistic interpretation of that law and its implication in physics theory are evidenciated. Based on Clausius work (which follows Carnot's work), we analyse and expose in a original way the entropy concept. Research upon Boltzmann's work and his probabilistic interpretation of the second Law of thermodynamics is made. The discuss between the atomistic and the energeticist points of view, which were actual at that time are also commented. (author). 38 refs., 3 figs
Vela, Sergi; Novoa, Juan J; Ribas-Arino, Jordi
2014-12-28
Iron(II) complexes of the [Fe(II)(1-bpp2)](2+) type (1-bpp = 2,6-di(pyrazol-1-yl)pyridine) have been intensively investigated in the context of crystal engineering of switchable materials because their spin-crossover (SCO) properties dramatically depend on the counterions. Here, by means of DFT + U calculations at the molecular and solid state levels we provide a rationale for the different SCO behaviour of the BF4(-) and ClO4(-) salts of the parent complex; the former features Fe(II) complexes with a regular coordination geometry and undergoes a spin transition, whereas the Fe(II) complexes of the latter adopt a distorted structure and remain in the high-spin state at all temperatures. The different SCO behaviour of both salts can be explained on the basis of a combination of thermodynamic and kinetic effects. The shape of the SCO units at high temperature is thermodynamically controlled by the intermolecular interactions between the SCO units and counterions within the crystal. The spin trapping at low temperatures in the ClO4(-) salt, in turn, is traced back to a kinetic effect because our calculations have revealed the existence of a more stable polymorph having SCO units in their low-spin state that feature a regular structure. From the computational point of view, it is the first time that the U parameter is fine-tuned on the basis of CASPT2 calculations, thereby enabling an accurate description of the energetics of the spin transition at both molecular and solid-state levels.
Thermodynamic properties of trizirconium tetraphosphate
International Nuclear Information System (INIS)
Pet'kov, V.I.; Asabina, E.A.; Kir'yanov, K.V.; Markin, A.V.; Smirnova, N.N.; Kitaev, D.B.; Kovalsky, A.M.
2005-01-01
The heat capacity measurements of the crystalline trizirconium tetraphosphate were carried out in a low-temperature adiabatic vacuum calorimeter between T=(7 and 350) K and in dynamic calorimeter between T=(330 and 640) K. The experimental data were used to calculate the standard (p 0 =0.1 MPa) thermodynamic functions Cp,m-bar /R,Δ0THm-bar /RT,Δ0TSm-bar /R,andΦm-bar =Δ0TSm-bar -Δ0THm-bar /T (where R is the universal gas constant) in the range T->(0 to 640) K. The fractal dimension D fr for the crystalline phosphate Zr 3 (PO 4 ) 4 between T=(20 and 40) K was evaluated. From hydrofluoric acid solution microcalorimetry, the enthalpy of solution of Zr 3 (PO 4 ) 4 at T=298.15 K was determined and the standard molar enthalpy of formation was derived. By combining the data obtained by the two techniques, the standard molar Gibbs function of formation of Zr 3 (PO 4 ) 4 at T=298.15 K was calculated
Thermodynamics of quantum spacetime histories
Smolin, Lee
2017-11-01
We show that the simplicity constraints, which define the dynamics of spin foam models, imply, and are implied by, the first law of thermodynamics, when the latter is applied to causal diamonds in the quantum spacetime. This result reveals an intimate connection between the holographic nature of gravity, as reflected by the Bekenstein entropy, and the fact that general relativity and other gravitational theories can be understood as constrained topological field theories. To state and derive this correspondence we describe causal diamonds in the causal structure of spin foam histories and generalize arguments given for the near horizon region of black holes by Frodden, Gosh and Perez [Phys. Rev. D 87, 121503 (2013); , 10.1103/PhysRevD.87.121503Phys. Rev. D 89, 084069 (2014); , 10.1103/PhysRevD.89.084069Phys. Rev. Lett. 107, 241301 (2011); , 10.1103/PhysRevLett.107.241301Phys. Rev. Lett.108, 169901(E) (2012)., 10.1103/PhysRevLett.108.169901] and Bianchi [arXiv:1204.5122.]. This allows us to apply a recent argument of Jacobson [Phys. Rev. Lett. 116, 201101 (2016).10.1103/PhysRevLett.116.201101] to show that if a spin foam history has a semiclassical limit described in terms of a smooth metric geometry, that geometry satisfies the Einstein equations. These results suggest also a proposal for a quantum equivalence principle.
Thermodynamic potential in quantum electrodynamics
International Nuclear Information System (INIS)
Morley, P.D.
1978-01-01
The thermodynamic potential, Ω, in quantum electrodynamics (QED) is derived using the path-integral formalism. Renormalization of Ω is shown by proving the following theorem: Ω/sub B/(e/sub B/,m/sub B/,T,μ) - Ω/sub B/(e/sub B/,m/sub B/,T = 0,μ = 0) = Ω/sub R/(e/sub R/,m/sub R/,T,μ,S), where B and R refer to bare and renormalized quantities, respectively, and S is the Euclidean subtraction momentum squared. This theorem is proved explicitly to e/sub R/ 4 order and could be analogously extended to any higher order. Renormalization-group equations are derived for Ω/sub R/, and it is shown that perturbation theory in a medium is governed by effective coupling constants which are functions of the density. The behavior of the theory at high densities is governed by the Euclidean ultraviolet behavior of the theory in the vacuum
Thermodynamic entanglement of magnonic condensates
Yuan, H. Y.; Yung, Man-Hong
2018-02-01
Over the past decade, significant progress has been achieved to create Bose-Einstein condensates (BECs) of magnetic excitations, i.e., magnons, at room temperature, which is a novel quantum many-body system with a strong spin-spin correlation, and contains potential applications in magnonic spintronics. For quantum information science, the magnonic condensates can become an attractive source of quantum entanglement, which plays a central role in most of the quantum information processing tasks. Here we theoretically study the entanglement properties of a magnon gas above and below the condensation temperature. We show that the thermodynamic entanglement of the spins is a manifestation of the off-diagonal long-range order; the entanglement of the condensate does not vanish, even if the spins are separated by an infinitely long distance, which is fundamentally distinct from the normal magnetic ordering below the Curie temperature. In addition, the phase-transition point occurs when the derivative of the entanglement changes abruptly. These results provide a theoretical foundation for a future investigation of the magnon BEC in terms of quantum entanglement.
Thermodynamics of superconducting quantum metamaterials
Energy Technology Data Exchange (ETDEWEB)
Dallaire-Demers, Pierre-Luc; Wilhelm-Mauch, Frank [Universitaet des Saarlandes (Germany)
2015-07-01
Left-handed matematerials are capacitively coupled layers of inductive pieces of conductors. These systems are well studied in the context of microwave metamaterials but their full quantum description or their embedding in highly correlated materials like superconductors are still an open problem. Notably, they are known to have a Van Hove singularity in the density of states at low energy and high pseudo-momentum that could effectively couple and condense Cooper pairs. The goal of this research is to analyze the thermodynamical properties of the order parameter of stacked layers of superconductors with a small repulsive Coulomb interaction. A 3D toy model of such a material is mapped to a Fermi-Hubbard lattice. The temperature dependent anomalous correlation functions are computed variationally from a self-energy functional of a small cluster where inter-cluster tunneling is treated perturbatively. The effect of the repulsive interaction on the Cooper pairs binding can then be seen from the momentum distribution of the condensation amplitude. Such a material could potentially be realized with optical lattices or nanoscaled superconductors.
Non-Equilibrium Thermodynamics in Multiphase Flows
Mauri, Roberto
2013-01-01
Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...
Extrinsic and intrinsic curvatures in thermodynamic geometry
Energy Technology Data Exchange (ETDEWEB)
Hosseini Mansoori, Seyed Ali, E-mail: shossein@bu.edu [Department of Physics, Boston University, 590 Commonwealth Ave., Boston, MA 02215 (United States); Department of Physics, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Mirza, Behrouz, E-mail: b.mirza@cc.iut.ac.ir [Department of Physics, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Sharifian, Elham, E-mail: e.sharifian@ph.iut.ac.ir [Department of Physics, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)
2016-08-10
We investigate the intrinsic and extrinsic curvatures of a certain hypersurface in thermodynamic geometry of a physical system and show that they contain useful thermodynamic information. For an anti-Reissner–Nordström-(A)de Sitter black hole (Phantom), the extrinsic curvature of a constant Q hypersurface has the same sign as the heat capacity around the phase transition points. The intrinsic curvature of the hypersurface can also be divergent at the critical points but has no information about the sign of the heat capacity. Our study explains the consistent relationship holding between the thermodynamic geometry of the KN-AdS black holes and those of the RN (J-zero hypersurface) and Kerr black holes (Q-zero hypersurface) ones [1]. This approach can easily be generalized to an arbitrary thermodynamic system.
Extrinsic and intrinsic curvatures in thermodynamic geometry
International Nuclear Information System (INIS)
Hosseini Mansoori, Seyed Ali; Mirza, Behrouz; Sharifian, Elham
2016-01-01
We investigate the intrinsic and extrinsic curvatures of a certain hypersurface in thermodynamic geometry of a physical system and show that they contain useful thermodynamic information. For an anti-Reissner–Nordström-(A)de Sitter black hole (Phantom), the extrinsic curvature of a constant Q hypersurface has the same sign as the heat capacity around the phase transition points. The intrinsic curvature of the hypersurface can also be divergent at the critical points but has no information about the sign of the heat capacity. Our study explains the consistent relationship holding between the thermodynamic geometry of the KN-AdS black holes and those of the RN (J-zero hypersurface) and Kerr black holes (Q-zero hypersurface) ones [1]. This approach can easily be generalized to an arbitrary thermodynamic system.
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
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
Handbook of thermodynamic tables and charts
International Nuclear Information System (INIS)
Raznjevic, K.
1976-01-01
A compilation of thermodynamic and thermophysical tables and charts is presented. Numerical values are cited in both technical and SI units. Solid, liquid, vapor, and gaseous forms of organic and inorganic materials are included. 12 figures, 137 tables
Thermodynamic behaviour of ruthenium at high temperatures
International Nuclear Information System (INIS)
Garisto, F.
1988-01-01
Thermodynamic equilibrium calculations are used to determine the chemical speciation of ruthenium under postulated reactor accident conditions. The speciation of ruthenium is determined for various values of temperature, pressure, oxygen partial pressure and ruthenium concentration. The importance of these variables, in particular the oxygen partial pressure, in determining the volatility of ruthenium is clearly demonstrated in this report. Reliable thermodynamic data are required to determine the behaviour of ruthenium using equilibrium calculations. Therefore, it was necessary to compile a thermodynamic database for the ruthenium species that can be formed under reactor accident conditions. The origin of the thermodynamic data for the ruthenium species included in our calculations is discussed in detail in Appendix A. 23 refs
Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.
Yoder, Claude H.
1986-01-01
Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)
Universalities of thermodynamic signatures in topological phases
Kempkes, S. N.; Quelle, A.; de Morais Smith, C.
2016-01-01
Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive
The entropy principle thermodynamics for the unsatisfied
Thess, André
2011-01-01
Entropy is the most important and the most difficult to understand term of thermodynamics. This book helps make this key concept understandable. It includes seven illustrative examples of applications of entropy, which are presented step by step.
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
A study in cosmology and causal thermodynamics
International Nuclear Information System (INIS)
Oliveira, H.P. de.
1986-01-01
The especial relativity of thermodynamic theories for reversible and irreversible processes in continuous medium is studied. The formalism referring to equilibrium and non-equilibrium configurations, and theories which includes the presence of gravitational fields are discussed. The nebular model in contraction with dissipative processes identified by heat flux and volumetric viscosity is thermodymically analysed. This model is presented by a plane conformal metric. The temperature, pressure, entropy and entropy production within thermodynamic formalism which adopts the hypothesis of local equilibrium, is calculated. The same analysis is carried out considering a causal thermodynamics, which establishes a local entropy of non-equilibrium. Possible homogeneous and isotropic cosmological models, considering the new phenomenological equation for volumetric viscosity deriving from cause thermodynamics are investigated. The found out models have plane spatial section (K=0) and some ones do not have singularities. The energy conditions are verified and the entropy production for physically reasobable models are calculated. (M.C.K.) [pt
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
Thermodynamic, kinetic and mechanistic investigations of ...
Indian Academy of Sciences (India)
with respect to the rate determining step and the thermodynamic quantities with respect to the equilibrium steps were evaluated and ... are, (1) to establish a rate law through kinetic measure- ments, (2) to ..... second and third equilibrium steps.
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.
Thermodynamic Study of Inclusion Interactions between Gemini ...
African Journals Online (AJOL)
NICO
2014-11-25
Nov 25, 2014 ... Xiaomei Qiu*. College of Chemistry and Chemical Engineering, Linyi University, Linyi 276000, China. E-mail: ... Introduction. Cyclodextrins (CD) are ... mine the thermodynamic parameters (stoichiometry, association constant ...
Evolution of the Second Law of Thermodynamics
Raman, V. V.
1970-01-01
Presents the history surrounding the evolution of the second law of thermodynamics. Discusses Sadi Carnot's contributions, but also refers to those by Clapeyron, Thomson, Joule, Clausius, and Boltzman among others. (RR)
Stochastic approach to equilibrium and nonequilibrium thermodynamics.
Tomé, Tânia; de Oliveira, Mário J
2015-04-01
We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.
Quantum thermodynamics of general quantum processes.
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.
Simulated pressure denaturation thermodynamics of ubiquitin.
Ploetz, Elizabeth A; Smith, Paul E
2017-12-01
Simulations of protein thermodynamics are generally difficult to perform and provide limited information. It is desirable to increase the degree of detail provided by simulation and thereby the potential insight into the thermodynamic properties of proteins. In this study, we outline how to analyze simulation trajectories to decompose conformation-specific, parameter free, thermodynamically defined protein volumes into residue-based contributions. The total volumes are obtained using established methods from Fluctuation Solution Theory, while the volume decomposition is new and is performed using a simple proximity method. Native and fully extended ubiquitin are used as the test conformations. Changes in the protein volumes are then followed as a function of pressure, allowing for conformation-specific protein compressibility values to also be obtained. Residue volume and compressibility values indicate significant contributions to protein denaturation thermodynamics from nonpolar and coil residues, together with a general negative compressibility exhibited by acidic residues. Copyright © 2017 Elsevier B.V. All rights reserved.
A single-item inventory model for expected inventory order crossovers
Riezebos, J.; Gaalman, G.J.C.
2009-01-01
Expected inventory order crossovers Occur if at the moment of ordering it is expected that orders will not arrive in the sequence they are ordered. Recent research has shown that (it) expected inventory order crossovers will be encountered more frequently in future, and that (b) use of a myopic
The crossover of work engagement between working couples : a closer look at the role of empathy
Bakker, A.B.; Demerouti, E.
2009-01-01
Purpose – The purpose of this paper is to examine the role of empathy (empathic concern and perspective taking) in the crossover process. Specifically, it aims to test whether empathy moderates the crossover effect of women's work engagement to their men's work engagement. Additionally, it seeks to
50 CFR 660.320 - Open access fishery-crossover provisions.
2010-10-01
... 50 Wildlife and Fisheries 9 2010-10-01 2010-10-01 false Open access fishery-crossover provisions... West Coast Groundfish-Open Access Fisheries § 660.320 Open access fishery—crossover provisions. (a) Operating in both limited entry and open access fisheries. See provisions at § 660.60, subpart C. (b...
Fluoropolymer-coated dacron versus PTFE grafts for femorofemoral crossover bypass: randomised trial
DEFF Research Database (Denmark)
Eiberg, JP; Røder, Ole Christian; Stahl-Madsen, M
2006-01-01
To investigate whether patency of a thin walled 8 mm fluoropassivated Dacron graft was similar to that of a standard 8mm PTFE graft for femorofemoral crossover bypass surgery.......To investigate whether patency of a thin walled 8 mm fluoropassivated Dacron graft was similar to that of a standard 8mm PTFE graft for femorofemoral crossover bypass surgery....
Probing the crossover in CO desorption from single crystal to nanoparticulate Ru model catalysts
DEFF Research Database (Denmark)
Murphy, Shane; Strebel, Christian Ejersbo; Vendelbo, Søren Bastholm
2011-01-01
Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles.......Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles....
Statistical thermodynamics of supercapacitors and blue engines
van Roij, René
2012-01-01
We study the thermodynamics of electrode-electrolyte systems, for instance supercapacitors filled with an ionic liquid or blue-energy devices filled with river- or sea water. By a suitable mapping of thermodynamic variables, we identify a strong analogy with classical heat engines. We introduce several Legendre transformations and Maxwell relations. We argue that one should distinguish between the differential capacity at constant ion number and at constant ion chemical potential, and derive ...
Simulated annealing with constant thermodynamic speed
International Nuclear Information System (INIS)
Salamon, P.; Ruppeiner, G.; Liao, L.; Pedersen, J.
1987-01-01
Arguments are presented to the effect that the optimal annealing schedule for simulated annealing proceeds with constant thermodynamic speed, i.e., with dT/dt = -(v T)/(ε-√C), where T is the temperature, ε- is the relaxation time, C ist the heat capacity, t is the time, and v is the thermodynamic speed. Experimental results consistent with this conjecture are presented from simulated annealing on graph partitioning problems. (orig.)
Thermodynamic Property Needs for the Oleochemical Industry
DEFF Research Database (Denmark)
Ana Perederic, Olivia; Kalakul, Sawitree; Sarup, Bent
The oleochemical industry cover mainly the food and pharmaceutical reactions but production offuels (biodiesel) and other speciality chemical production processes also handle oleochemicals (inother words, lipids). The core of process synthesis and design depend on availability of properties data...... and/or reliable thermodynamic models for the chemicals involved. Limited availability ofconsistent physical and thermodynamic properties of lipids compounds and their mixtures lead to difficulties with the use of process simulators for process synthesis and design, since all themodels to be used...
Making thermodynamic functions of nanosystems intensive
Nassimi, Ali Mohammad; Parsafar, Gholamabbas
2006-01-01
The interaction potential energy among particles in many systems is of the form of r^-(alpha), at least at long distances. It has been argued that, in systems for which (alpha) < d (d is the space dimension) we encounter with nonextensive (nonintensive) thermodynamic functions. A scaling parameter N~ has been introduced to make nonextensive (nonintensive) thermodynamic functions of such systems extensive (intensive) functions. Our simulation results show that this parameter is not capable of ...
One-parameter Darboux transformations in thermodynamics
International Nuclear Information System (INIS)
Rosu, Haret C.
2002-01-01
The quantum oscillator thermodynamic actions are the conjugate intensive parameters for the frequency in any frequency changing process. These oscillator actions fulfill simple Riccati equations. Interesting Darboux transformations of the fundamental Planck and pure vacuum actions are discussed here in some detail. It is shown that the one-parameter 'Darboux-Transformed-Thermodynamics' refers to superpositions of boson and fermion excitations of positive and negative absolute temperature, respectively. A Darboux generalization of the fluctuation-dissipation theorem is also briefly sketched
Theory and practice in engineering thermodynamics
International Nuclear Information System (INIS)
Polak, P.
1983-01-01
The book is a new approach to engineering thermodynamics for students of mechanical engineering at diploma and degree levels. There is an explanation of the basic principles of thermodynamics, followed by several chapters illustrating these principles as applied to piston engines, the gas turbine, steam power, and refrigerators and heat pumps. The book aims to introduce some key features of theory and current practice in a way that students will find interesting
Thermodynamics of 2D string theory
International Nuclear Information System (INIS)
Alexandrov, Sergei Yu.; V.A. Fock Department of Theoretical Physics, St. Petersburg University
2003-01-01
We calculate the free energy, energy and entropy in the matrix quantum mechanical formulation of 2D string theory in a background strongly perturbed by tachyons with the imaginary minkowskian momentum ±i/R ('Sine-Liouville' theory). The system shows a thermodynamical behaviour corresponding to the temperature T={1/(2π R)}. We show that the microscopically calculated energy of the system satisfies the usual thermodynamical relations and leads to a non-zero entropy. (author)
Chemical engineering and thermodynamics using Mat lab
International Nuclear Information System (INIS)
Kim Heon; Kim, Moon Gap; Lee, Hak Yeong; Yeo, Yeong Gu; Ham, Seong Won
2002-02-01
This book consists of twelve chapters and four appendixes about chemical engineering and thermodynamics using Mat lab, which deals with introduction, energy budget, entropy, thermodynamics process, generalization on any fluid, engineering equation of state for PVT properties, deviation of the function, phase equilibrium of pure fluid, basic of multicomponent, phase equilibrium of compound by state equation, activity model and reaction system. The appendixes is about summary of computer program, related mathematical formula and material property of pure component.
Thermodynamic power stations at low temperatures
Malherbe, J.; Ployart, R.; Alleau, T.; Bandelier, P.; Lauro, F.
The development of low-temperature thermodynamic power stations using solar energy is considered, with special attention given to the choice of the thermodynamic cycle (Rankine), working fluids (frigorific halogen compounds), and heat exchangers. Thermomechanical conversion machines, such as ac motors and rotating volumetric motors are discussed. A system is recommended for the use of solar energy for irrigation and pumping in remote areas. Other applications include the production of cold of fresh water from brackish waters, and energy recovery from hot springs.
OPTIMAL PROCESSES IN IRREVERSIBLE THERMODYNAMICS AND MICROECONOMICS
Directory of Open Access Journals (Sweden)
Vladimir A. Kazakov
2004-06-01
Full Text Available This paper describes general methodology that allows one to extend Carnot efficiency of classical thermodynamic for zero rate processes onto thermodynamic systems with finite rate. We define the class of minimal dissipation processes and show that it represents generalization of reversible processes and determines the limiting possibilities of finite rate systems. The described methodology is then applied to microeconomic exchange systems yielding novel estimates of limiting efficiencies for such systems.
Thermodynamical universality of the Lovelock black holes
Dadhich, Naresh; Pons, Josep M.; Prabhu, Kartik
2011-01-01
The necessary and sufficient condition for the thermodynamical universality of the static spherically symmetric Lovelock black hole is that it is the pure Lovelock {\\Lambda}-vacuum solution. By universality we mean the thermodynamical parameters: temperature and entropy always bear the same relationship to the horizon radius irrespective of the Lovelock order and the spacetime dimension. For instance, the entropy always goes in terms of the horizon radius as rh and r^2 respectively for h odd ...
Tables of thermodynamic properties of sodium
International Nuclear Information System (INIS)
Fink, J.K.
1982-06-01
The thermodynamic properties of saturated sodium, superheated sodium, and subcooled sodium are tabulated as a function of temperature. The temperature ranges are 380 to 2508 K for saturated sodium, 500 to 2500 K for subcooled sodium, and 400 to 1600 K for superheated sodium. Tabulated thermodynamic properties are enthalpy, heat capacity, pressure, entropy, density, instantaneous thermal expansion coefficient, compressibility, and thermal pressure coefficient. Tables are given in SI units and cgs units
Technical evaluation of thermodynamics processes; Avaliacao tecnica dos processos termodinamicos
Energy Technology Data Exchange (ETDEWEB)
Petracco, Fulvio Celso
1986-05-01
An evaluation of thermodynamic processes, energy losses the origin of energy losses on thermodynamic process, where are the points or sources of those losses and variation of process when compared in relation of thermodynamic performance are discussed. The concept of energy losses and its origin, energy and work capacity, performance rates and examples of thermodynamic efficiency are also debated 3 figs.
Braun-Le Chatelier principle in dissipative thermodynamics
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.
Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium
Hunt, J. L.; Boney, L. R.
1973-01-01
Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.
International Nuclear Information System (INIS)
Burger, Florian
2012-01-01
In this thesis we report about an investigation of the finite temperature crossover/phase transition of quantum chromodynamics and the evaluation of the thermodynamic equation of state. To this end the lattice method and the Wilson twisted mass discretisation of the quark action are used. This formulation is known to have an automatic improvement of lattice artifacts and thus an improved continuum limit behaviour. This work presents first robust results using this action for the non-vanishing temperature case. We investigate the chiral limit of the two flavour phase transition with several small values of the pion mass in order to address the open question of the order of the transition in the limit of vanishing quark mass. For the currently simulated pion masses in the range of 300 to 700 MeV we present evidence that the finite temperature transition is a crossover transition rather than a genuine phase transition. The chiral limit is investigated by comparing the scaling of the observed crossover temperature with the mass including several possible scenarios. Complementary to this approach the chiral condensate as the order parameter for the spontaneous breaking of chiral symmetry is analysed in comparison with the O(4) universal scaling function which characterises a second order transition. With respect to thermodynamics the equation of state is obtained from the trace anomaly employing the temperature integral method which provides the pressure and energy density in the crossover region. The continuum limit of the trace anomaly is studied by considering several values of N τ and the tree-level correction technique.
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
Thermodynamic properties of water solvating biomolecular surfaces
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.
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
Thermodynamic DFT analysis of natural gas.
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.
Hybrid Genetic Algorithm with Multiparents Crossover for Job Shop Scheduling Problems
Directory of Open Access Journals (Sweden)
Noor Hasnah Moin
2015-01-01
Full Text Available The job shop scheduling problem (JSSP is one of the well-known hard combinatorial scheduling problems. This paper proposes a hybrid genetic algorithm with multiparents crossover for JSSP. The multiparents crossover operator known as extended precedence preservative crossover (EPPX is able to recombine more than two parents to generate a single new offspring distinguished from common crossover operators that recombine only two parents. This algorithm also embeds a schedule generation procedure to generate full-active schedule that satisfies precedence constraints in order to reduce the search space. Once a schedule is obtained, a neighborhood search is applied to exploit the search space for better solutions and to enhance the GA. This hybrid genetic algorithm is simulated on a set of benchmarks from the literatures and the results are compared with other approaches to ensure the sustainability of this algorithm in solving JSSP. The results suggest that the implementation of multiparents crossover produces competitive results.
Crossover Phenomena in Detrended Fluctuation Analysis Used in Financial Markets
International Nuclear Information System (INIS)
Ma Shihao
2009-01-01
A systematic analysis of Shanghai and Japan stock indices for the period of Jan. 1984 to Dec. 2005 is performed. After stationarity is verified by ADF (Augmented Dickey-Fuller) test, the power spectrum of the data exhibits a power law decay as a whole characterized by 1/f β processes with possible long range correlations. Subsequently, by using the method of detrended fluctuation analysis (DFA) of the general volatility in the stock markets, we find that the long-range correlations are occurred among the return series and the crossover phenomena exhibit in the results obviously. Further, Shanghai stock market shows long-range correlations in short time scale and shows short-range correlations in long time scale. Whereas, for Japan stock market, the data behaves oppositely absolutely. Last, we compare the varying of scale exponent in large volatility between two stock markets. All results obtained may indicate the possibility of characteristic of multifractal scaling behavior of the financial markets.
A crossover in anisotropic nanomechanochemistry of van der Waals crystals
International Nuclear Information System (INIS)
Shimamura, Kohei; Misawa, Masaaki; Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki
2015-01-01
In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10 −13 s from the passage of shock front, lateral collision produces NO 2 via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10 −12 s, shock normal to multilayers becomes more reactive, producing H 2 O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies
Crossover between spin swapping and Hall effect in disordered systems
Saidaoui, Hamed Ben Mohamed
2015-07-16
We theoretically study the crossover between spin Hall effect and spin swapping, a recently predicted phenomenon that consists of the interchange between the current flow and its spin polarization directions [M. B. Lifshits and M. I. Dyakonov, Phys. Rev. Lett. 103, 186601 (2009)]. Using a tight-binding model with spin-orbit coupled disorder, spin Hall effect, spin relaxation, and spin swapping are treated on equal footing. We demonstrate that spin swapping and spin Hall effect present very different dependencies as a function of the spin-orbit coupling and disorder strengths and confirm that the former exceeds the latter in the parameter range considered. Three setups are proposed for the experimental observation of the spin swapping effect.
Conjugate schema and basis representation of crossover and mutation operators.
Kazadi, S T
1998-01-01
In genetic search algorithms and optimization routines, the representation of the mutation and crossover operators are typically defaulted to the canonical basis. We show that this can be influential in the usefulness of the search algorithm. We then pose the question of how to find a basis for which the search algorithm is most useful. The conjugate schema is introduced as a general mathematical construct and is shown to separate a function into smaller dimensional functions whose sum is the original function. It is shown that conjugate schema, when used on a test suite of functions, improves the performance of the search algorithm on 10 out of 12 of these functions. Finally, a rigorous but abbreviated mathematical derivation is given in the appendices.
Critical behavior and dimension crossover of pion superfluidity
Wang, Ziyue; Zhuang, Pengfei
2016-09-01
We investigate the critical behavior of pion superfluidity in the framework of the functional renormalization group (FRG). By solving the flow equations in the SU(2) linear sigma model at finite temperature and isospin density, and making comparison with the fixed point analysis of a general O (N ) system with continuous dimension, we find that the pion superfluidity is a second order phase transition subject to an O (2 ) universality class with a dimension crossover from dc=4 to dc=3 . This phenomenon provides a concrete example of dimension reduction in thermal field theory. The large-N expansion gives a temperature independent critical exponent β and agrees with the FRG result only at zero temperature.
Modeling the quantum to classical crossover in topologically disordered networks
International Nuclear Information System (INIS)
Schijven, P; Kohlberger, J; Blumen, A; Mülken, O
2012-01-01
We model transport in topologically disordered networks that are subjected to an environment that induces classical diffusion. The dynamics is phenomenologically described within the framework of the recently introduced quantum stochastic walk, allowing study of the crossover between coherent transport and purely classical diffusion. To study the transport efficiency, we connect our system with a source and a drain and provide a detailed analysis of their effects. We find that the coupling to the environment removes all effects of localization and quickly leads to classical transport. Furthermore, we find that on the level of the transport efficiency, the system can be well described by reducing it to a two-node network (a dimer). (paper)
A crossover in anisotropic nanomechanochemistry of van der Waals crystals
Energy Technology Data Exchange (ETDEWEB)
Shimamura, Kohei [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Graduate School of System Informatics, Kobe University, Kobe 657-8501 (Japan); Misawa, Masaaki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Li, Ying [Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Shimojo, Fuyuki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan)
2015-12-07
In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10{sup −13} s from the passage of shock front, lateral collision produces NO{sub 2} via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10{sup −12} s, shock normal to multilayers becomes more reactive, producing H{sub 2}O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies.
Crossover between spin swapping and Hall effect in disordered systems
Saidaoui, Hamed Ben Mohamed; Otani, Y.; Manchon, Aurelien
2015-01-01
We theoretically study the crossover between spin Hall effect and spin swapping, a recently predicted phenomenon that consists of the interchange between the current flow and its spin polarization directions [M. B. Lifshits and M. I. Dyakonov, Phys. Rev. Lett. 103, 186601 (2009)]. Using a tight-binding model with spin-orbit coupled disorder, spin Hall effect, spin relaxation, and spin swapping are treated on equal footing. We demonstrate that spin swapping and spin Hall effect present very different dependencies as a function of the spin-orbit coupling and disorder strengths and confirm that the former exceeds the latter in the parameter range considered. Three setups are proposed for the experimental observation of the spin swapping effect.
Workaholism and relationship quality: a spillover-crossover perspective.
Bakker, Arnold B; Demerouti, Evangelia; Burke, Ronald
2009-01-01
This study of 168 dual-earner couples examined the relationship between workaholism and relationship satisfaction. More specifically, on the basis of the literature, it was hypothesized that workaholism is positively related to work-family conflict. In addition, the authors predicted that workaholism is related to reduced support provided to the partner, through work-family conflict, and that individuals who receive considerable support from their partners are more satisfied with their relationship. Finally, the authors hypothesized direct crossover of relationship satisfaction between partners. The results of structural equation modeling analyses using the matched responses of both partners supported these hypotheses. Moreover, in line with predictions, the authors found that gender did not affect the strength of the relationships in the proposed model. The authors discuss workplace interventions as possible ways to help workaholics and their partners.
Nuclear chiral dynamics and thermodynamics
Holt, Jeremy W.; Kaiser, Norbert; Weise, Wolfram
2013-11-01
This presentation reviews an approach to nuclear many-body systems based on the spontaneously broken chiral symmetry of low-energy QCD. In the low-energy limit, for energies and momenta small compared to a characteristic symmetry breaking scale of order 1 GeV, QCD is realized as an effective field theory of Goldstone bosons (pions) coupled to heavy fermionic sources (nucleons). Nuclear forces at long and intermediate distance scales result from a systematic hierarchy of one- and two-pion exchange processes in combination with Pauli blocking effects in the nuclear medium. Short distance dynamics, not resolved at the wavelengths corresponding to typical nuclear Fermi momenta, are introduced as contact interactions between nucleons. Apart from a set of low-energy constants associated with these contact terms, the parameters of this theory are entirely determined by pion properties and low-energy pion-nucleon scattering observables. This framework (in-medium chiral perturbation theory) can provide a realistic description of both isospin-symmetric nuclear matter and neutron matter, with emphasis on the isospin-dependence determined by the underlying chiral NN interaction. The importance of three-body forces is emphasized, and the role of explicit Δ(1232)-isobar degrees of freedom is investigated in detail. Nuclear chiral thermodynamics is developed and a calculation of the nuclear phase diagram is performed. This includes a successful description of the first-order phase transition from a nuclear Fermi liquid to an interacting Fermi gas and the coexistence of these phases below a critical temperature Tc. Density functional methods for finite nuclei based on this approach are also discussed. Effective interactions, their density dependence and connections to Landau Fermi liquid theory are outlined. Finally, the density and temperature dependences of the chiral (quark) condensate are investigated.
Design and numerical characterization of a crossover EBIS
Energy Technology Data Exchange (ETDEWEB)
Geyer, Sabrina, E-mail: geyer@iap.uni-frankfurt.de; Langbein, A., E-mail: geyer@iap.uni-frankfurt.de; Meusel, Oliver, E-mail: geyer@iap.uni-frankfurt.de [Institute of Applied Physics, Goethe University Frankfurt, Frankfurt am Main, HE (Germany); Kester, Oliver [Institute of Applied Physics, Goethe University Frankfurt, Frankfurt am Main, HE, Germany and GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt, HE (Germany)
2015-01-09
For the investigation of highly charged ions, a crossover EBIS (XEBIS) was developed at the University of Frankfurt. In contrast to conventional EBIS/T devices the compression of the electron beam is achieved by electrostatic focusing to a crossover point in the interaction region. This concept allows a compact and simple design. Simulations performed with EGUN show a perveance of 2.1×10{sup −7} A/V{sup 3/2} for the realized gun system. In the interaction region the electron beam has a density of around 10 A/cm{sup 2} and a minimum radius of 0.15 mm. The XEBIS has a total length of 112 mm with a trap length of 26 mm. It is designed for electron beam energies of up to 6 keV/q. The storage capacity of the trap region is in the order of 1×10{sup 8} charges. Charge state breeding studies with CBSIM indicate for the noble gases as maximal achievable charge state Ar{sup 16+}, Kr{sup 30+} and Xe{sup 35+}. Thus ion beam currents of around 2.04 nA assuming 50 Hz repetition rate can be expected. The emittance of the extracted beam is approximated to 8 mm mrad. After completion of the construction phase, the XEBIS will be installed for first performance investigations at a dedicated test bench, equipped with a fast Faraday Cup (FC), a retarding field spectrometer, a luminescence screen and optical diagnostics. Subsequently the XEBIS will serve as source for highly charged ions at different experimental setups.
Design and numerical characterization of a crossover EBIS
International Nuclear Information System (INIS)
Geyer, Sabrina; Langbein, A.; Meusel, Oliver; Kester, Oliver
2015-01-01
For the investigation of highly charged ions, a crossover EBIS (XEBIS) was developed at the University of Frankfurt. In contrast to conventional EBIS/T devices the compression of the electron beam is achieved by electrostatic focusing to a crossover point in the interaction region. This concept allows a compact and simple design. Simulations performed with EGUN show a perveance of 2.1×10 −7 A/V 3/2 for the realized gun system. In the interaction region the electron beam has a density of around 10 A/cm 2 and a minimum radius of 0.15 mm. The XEBIS has a total length of 112 mm with a trap length of 26 mm. It is designed for electron beam energies of up to 6 keV/q. The storage capacity of the trap region is in the order of 1×10 8 charges. Charge state breeding studies with CBSIM indicate for the noble gases as maximal achievable charge state Ar 16+ , Kr 30+ and Xe 35+ . Thus ion beam currents of around 2.04 nA assuming 50 Hz repetition rate can be expected. The emittance of the extracted beam is approximated to 8 mm mrad. After completion of the construction phase, the XEBIS will be installed for first performance investigations at a dedicated test bench, equipped with a fast Faraday Cup (FC), a retarding field spectrometer, a luminescence screen and optical diagnostics. Subsequently the XEBIS will serve as source for highly charged ions at different experimental setups
Design and numerical characterization of a crossover EBIS
Geyer, Sabrina; Langbein, A.; Meusel, Oliver; Kester, Oliver
2015-01-01
For the investigation of highly charged ions, a crossover EBIS (XEBIS) was developed at the University of Frankfurt. In contrast to conventional EBIS/T devices the compression of the electron beam is achieved by electrostatic focusing to a crossover point in the interaction region. This concept allows a compact and simple design. Simulations performed with EGUN show a perveance of 2.1×10-7 A/V3/2 for the realized gun system. In the interaction region the electron beam has a density of around 10 A/cm2 and a minimum radius of 0.15 mm. The XEBIS has a total length of 112 mm with a trap length of 26 mm. It is designed for electron beam energies of up to 6 keV/q. The storage capacity of the trap region is in the order of 1×108 charges. Charge state breeding studies with CBSIM indicate for the noble gases as maximal achievable charge state Ar16+, Kr30+ and Xe35+. Thus ion beam currents of around 2.04 nA assuming 50 Hz repetition rate can be expected. The emittance of the extracted beam is approximated to 8 mm mrad. After completion of the construction phase, the XEBIS will be installed for first performance investigations at a dedicated test bench, equipped with a fast Faraday Cup (FC), a retarding field spectrometer, a luminescence screen and optical diagnostics. Subsequently the XEBIS will serve as source for highly charged ions at different experimental setups.
International thermodynamic tables of the fluid state propylene (propene)
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
Thermodynamic properties of organic compounds estimation methods, principles and practice
Janz, George J
1967-01-01
Thermodynamic Properties of Organic Compounds: Estimation Methods, Principles and Practice, Revised Edition focuses on the progression of practical methods in computing the thermodynamic characteristics of organic compounds. Divided into two parts with eight chapters, the book concentrates first on the methods of estimation. Topics presented are statistical and combined thermodynamic functions; free energy change and equilibrium conversions; and estimation of thermodynamic properties. The next discussions focus on the thermodynamic properties of simple polyatomic systems by statistical the
Chemical Equilibrium as Balance of the Thermodynamic Forces
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...
Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water
International Nuclear Information System (INIS)
Singh, Rakesh S.; Bagchi, Biman
2014-01-01
The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments
The virial equation of state for unitary fermion thermodynamics with non-Gaussian correlations
International Nuclear Information System (INIS)
Chen Jisheng; Li Jiarong; Wang Yanping; Xia Xiangjun
2008-01-01
We study the roles of the dynamical high order perturbation and statistically non-linear infrared fluctuation/correlation in the virial equation of state for the Fermi gas in the unitary limit. Incorporating the quantum level crossing rearrangement effects, the spontaneously generated entropy departing from the mean-field theory formalism leads to concise thermodynamical expressions. The dimensionless virial coefficients with complex non-local correlations are calculated up to the fourth order for the first time. The virial coefficients of unitary Fermi gas are found to be proportional to those of the ideal quantum gas with integer ratios through a general term formula. Counterintuitively, contrary to those of the ideal bosons (a (0) 2 =-(1/4√2)) or fermions (a (0) 2 =(1/4√2)), the second virial coefficient a 2 of Fermi gas at unitarity is found to be equal to zero. With the vanishing leading order quantum correction, the BCS–BEC crossover thermodynamics manifests the famous pure classical Boyle's law in the Boltzmann regime. The non-Gaussian correlation phenomena can be validated by studying the Joule–Thomson effect