Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G
2016-05-01
The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation. PMID:27157333
Understanding thermal equilibrium through activities
NASA Astrophysics Data System (ADS)
Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra
2015-03-01
Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education pp 169-72) we found that students in India have a rather unsatisfactory understanding of thermal equilibrium. We have designed and developed a module of five activities, which are presented in succession to the students. These activities address the students’ alternative conceptions that underlie their lack of understanding of thermal equilibrium and aim at enhancing their understanding of the concept.
Understanding Thermal Equilibrium through Activities
ERIC Educational Resources Information Center
Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra
2015-01-01
Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…
Thermal equilibrium in Einstein's elevator.
Sánchez-Rey, Bernardo; Chacón-Acosta, Guillermo; Dagdug, Leonardo; Cubero, David
2013-05-01
We report fully relativistic molecular-dynamics simulations that verify the appearance of thermal equilibrium of a classical gas inside a uniformly accelerated container. The numerical experiments confirm that the local momentum distribution in this system is very well approximated by the Jüttner function-originally derived for a flat spacetime-via the Tolman-Ehrenfest effect. Moreover, it is shown that when the acceleration or the container size is large enough, the global momentum distribution can be described by the so-called modified Jüttner function, which was initially proposed as an alternative to the Jüttner function. PMID:23767501
Concept Maps about Chemical Equilibrium and Students' Achievement Scores.
ERIC Educational Resources Information Center
Wilson, Jan
1996-01-01
Examines relationships between structural characteristics of students' concept maps about chemical equilibrium and independent measures of their achievement in chemistry. Results indicate significant relationships between multidimensional scaling coordinates and test scores of recall of knowledge and its application and also reveal structural…
Thermal equilibrium of two quantum Brownian particles
Valente, D. M.; Caldeira, A. O.
2010-01-15
The influence of the environment in the thermal equilibrium properties of a bipartite continuous variable quantum system is studied. The problem is treated within a system-plus-reservoir approach. The considered model reproduces the Brownian motion when the two particles are isolated and induces an effective interaction between them, depending on the choice of the spectral function of the bath. The coupling between the system and the environment guarantees the translational invariance of the system in the absence of an external potential. The entanglement between the particles is measured by the logarithmic negativity, which is shown to monotonically decrease with the increase of the temperature. A range of finite temperatures is found in which entanglement is still induced by the reservoir.
Dynamics of Charged Particles in an Adiabatic Thermal Beam Equilibrium
NASA Astrophysics Data System (ADS)
Chen, Chiping; Wei, Haofei
2010-11-01
Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV)-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.
Network representations of knowledge about chemical equilibrium: Variations with achievement
NASA Astrophysics Data System (ADS)
Wilson, Janice M.
This study examined variation in the organization of domain-specific knowledge by 50 Year-12 chemistry students and 4 chemistry teachers. The study used nonmetric multidimensional scaling (MDS) and the Pathfinder network-generating algorithm to investigate individual and group differences in student concepts maps about chemical equilibrium. MDS was used to represent the individual maps in two-dimensional space, based on the presence or absence of paired propositional links. The resulting separation between maps reflected degree of hierarchical structure, but also reflected independent measures of student achievement. Pathfinder was then used to produce semantic networks from pooled data from high and low achievement groups using proximity matrices derived from the frequencies of paired concepts. The network constructed from maps of higher achievers (coherence measure = 0.18, linked pairs = 294, and number of subjects = 32) showed greater coherence, more concordance in specific paired links, more important specific conceptual relationships, and greater hierarchical organization than did the network constructed from maps of lower achievers (coherence measure = 0.12, linked pairs = 552, and number of subjects = 22). These differences are interpreted in terms of qualitative variation in knowledge organization by two groups of individuals with different levels of relative expertise (as reflected in achievement scores) concerning the topic of chemical equilibrium. The results suggest that the technique of transforming paired links in concept maps into proximity matrices for input to multivariate analyses provides a suitable methodology for comparing and documenting changes in the organization and structure of conceptual knowledge within and between individual students.
On the thermalization achieved in the reactions involving superheavy nuclei
NASA Astrophysics Data System (ADS)
Bansal, Rajni
2016-05-01
In the present study, we aim to explore the role of Coulomb potential on the thermalization achieved in the reactions involving superheavy nuclei. Particularly, we shall study the degree of the equilibrium attained in a reaction by the 3D density plots, anisotropy ratio as well as by the rapidity distribution of the nucleons. Our study reveals that the degree of the equilibrium attained in the central reactions of the superheavy nuclei remains unaffected by the Coulomb potential.
Concept maps about chemical equilibrium and students' achievement scores
NASA Astrophysics Data System (ADS)
Wilson, Jan
1996-06-01
The purpose of this study was to examine relationships between structural characteristics of students' concept maps about chemical equilibrium and independent measures of their achievement in chemistry. Fifty students in 1991 and seventy students in 1992 completed a concept-mapping task using twenty-four specified concepts. Using similarities in concept map structure, based on the presence or absence of linked pairs of concepts, non-metric multidimensional scaling (MDS) was used to plot the location of the concept maps in coordinate space. The distribution of maps was based on differences in their structure, but also reflected levels of student achievement on independent tests. The relationship between the coordinate location of each student's maps and his or her test scores on independent chemistry achievement tests was sought by canonical correlation analysis of the 1991 data set. This revealed significant relationships between the MDS coordinates and test scores of recall of knowledge and its application. Multiple regression analysis of sixty-one students' maps from the 1992 data set against their percentile rank scores on a national chemistry quiz revealed significant relationships. The results are interpreted as revealing structural differences in conceptual organisation about chemical equilibrium among students with different levels of achievement and thus relative expertise in the domain. The significant relationship between map structure and cognitive process scores in chemistry also supports the view that the organisation of declarative knowledge influences its accessibility in cognitive tasks.
Thermal Equilibrium in Plastic and Glass Microscale Containers
ERIC Educational Resources Information Center
Curbelo, Estela; Cerda, Maria F.; Mendez, Eduardo
2007-01-01
The study describes the various thermal equilibrium conditions, which should be taken care for while designing or selecting the plastic and glass microscale containers for physical chemistry experiments. The results show that the thermal equilibrium completely depends on the material of the container for the same volume and thickness.
Typicality of Thermal Equilibrium and Thermalization in Isolated Macroscopic Quantum Systems
NASA Astrophysics Data System (ADS)
Tasaki, Hal
2016-06-01
Based on the view that thermal equilibrium should be characterized through macroscopic observations, we develop a general theory about typicality of thermal equilibrium and the approach to thermal equilibrium in macroscopic quantum systems. We first formulate the notion that a pure state in an isolated quantum system represents thermal equilibrium. Then by assuming, or proving in certain classes of nontrivial models (including that of two bodies in thermal contact), large-deviation type bounds (which we call thermodynamic bounds) for the microcanonical ensemble, we prove that to represent thermal equilibrium is a typical property for pure states in the microcanonical energy shell. We believe that the typicality, along with the empirical success of statistical mechanics, provides a sound justification of equilibrium statistical mechanics. We also establish the approach to thermal equilibrium under two different assumptions; one is that the initial state has a moderate energy distribution, and the other is the energy eigenstate thermalization hypothesis.
Observing the Casimir-Lifshitz force out of thermal equilibrium
NASA Astrophysics Data System (ADS)
Bimonte, Giuseppe
2015-09-01
The thermal Casimir-Lifshitz force between two bodies held at different temperatures displays striking features that are absent in systems in thermal equilibrium. The manifestation of this force has been observed so far only in Bose-Einstein condensates close to a heated substrate, but never between two macroscopic bodies. Observation of the thermal Casimir-Lifshitz force out of thermal equilibrium with conventional Casimir setups is very difficult because for experimentally accessible separations the thermal force is small compared to the zero-temperature quantum Casimir force unless prohibitively large temperature differences among the plates are considered. We describe an apparatus that allows for direct observation of the thermal force out of equilibrium for submicron separations and for moderate temperature differences between the plates.
Thermal Conductivity of Gas Mixtures in Chemical Equilibrium
NASA Technical Reports Server (NTRS)
Brokaw, Richard S.
1960-01-01
The expression for the thermal conductivity of gas mixtures in chemical equilibrium is presented in a simpler and less restrictive form. This new form is shown to be equivalent to the previous equations.
Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs
NASA Astrophysics Data System (ADS)
Ghorui, S.; Das, A. K.
2012-12-01
Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.
Thermo-chemical dynamics and chemical quasi-equilibrium of plasmas in thermal non-equilibrium
Massot, Marc; Graille, Benjamin; Magin, Thierry E.
2011-05-20
We examine both processes of ionization by electron and heavy-particle impact in spatially uniform plasmas at rest in the absence of external forces. A singular perturbation analysis is used to study the following physical scenario, in which thermal relaxation becomes much slower than chemical reactions. First, electron-impact ionization is investigated. The dynamics of the system rapidly becomes close to a slow dynamics manifold that allows for defining a unique chemical quasi-equilibrium for two-temperature plasmas and proving that the second law of thermodynamics is satisfied. Then, all ionization reactions are taken into account simultaneously, leading to a surprising conclusion: the inner layer for short time scale (or time boundary layer) directly leads to thermal equilibrium. Global thermo-chemical equilibrium is reached within a short time scale, involving only chemical reactions, even if thermal relaxation through elastic collisions is assumed to be slow.
The thermal vacuum for non-equilibrium steady state
NASA Astrophysics Data System (ADS)
Imai, Ryosuke; Kuwahara, Yukiro; Nakamura, Yusuke; Yamanaka, Yoshiya
Our purpose is to construct a theoretical description of non-equilibrium steady state (NESS), employing thermo field dynamics (TFD). TFD is the operator-based formalism of thermal quautum field theory, where every degree of freedom is doubled and thermal averages are given by expectation values of the thermal vacuum. To specify the thermal vacuum for NESS is a non-trivial issue, and we attempt it on the analogy between the superoperator formalism and TFD. Using the thermal vacuum thus obtained, we analyze the NESS which is realized in the two-reservoir model. It will be shown that the NESS vacuum of the model coincides with the fixed point solutions of the quantum transport equation derived by the self-consistent renormalization of the self-energy in non-equilibrium TFD.
On the approach to thermal equilibrium of macroscopic quantum systems
Goldstein, Sheldon; Tumulka, Roderich
2011-03-24
In joint work with J. L. Lebowitz, C. Mastrodonato, and N. Zanghi[2, 3, 4], we considered an isolated, macroscopic quantum system. Let H be a micro-canonical 'energy shell', i.e., a subspace of the system's Hilbert space spanned by the (finitely) many energy eigenstates with energies between E and E+{delta}E. The thermal equilibrium macro-state at energy E corresponds to a subspace H{sub eq} of H such that dimHeq/dimH is close to 1. We say that a system with state vector {psi}{epsilon}H is in thermal equilibrium if {psi} is 'close' to H{sub eq}. We argue that for 'typical' Hamiltonians, all initial state vectors {psi}{sub 0} evolve in such a way that {psi}{sub t} is in thermal equilibrium for most times t. This is closely related to von Neumann's quantum ergodic theorem of 1929.
Construction of a Non-Equilibrium Thermal Boundary Layer Facility
NASA Astrophysics Data System (ADS)
Biles, Drummond; Ebadi, Alireza; Ma, Allen; White, Christopher
2015-11-01
A thermally conductive, electrically heated wall-plate forming the bottom wall of a wind tunnel has been constructed and validation tests have been performed. The wall-plate is a sectioned wall design, where each section is independently heated and controlled. Each section consists of an aluminum 6061 plate, an array of resistive heaters affixed to the bottom of the aluminum plate, and a calcium silicate holder used for thermal isolation. Embedded thermocouples in the aluminum plates are used to monitor the wall temperature and for feedback control of wall heating. The wall-plate is used to investigate thermal transport in both equilibrium and non-equilibrium boundary layers. The non-equilibrium boundary layer flow investigated is oscillatory flow produced by a rotor-stator mechanism placed downstream of the test section of the wind tunnel.
Quantum systems in a stationary environment out of thermal equilibrium
NASA Astrophysics Data System (ADS)
Bellomo, Bruno; Messina, Riccardo; Felbacq, Didier; Antezza, Mauro
2013-01-01
We discuss how the thermalization of an elementary quantum system is modified when the system is placed in an environment out of thermal equilibrium. To this aim we provide a detailed investigation of the dynamics of an atomic system placed close to a body of arbitrary geometry and dielectric permittivity, whose temperature TM is different from that of the surrounding walls TW. A suitable master equation for the general case of an N-level atom is first derived and then specialized to the cases of a two- and three-level atom. Transition rates and steady states are explicitly expressed as a function of the scattering matrices of the body and become both qualitatively and quantitatively different from the case of radiation at thermal equilibrium. Out of equilibrium, the system steady state depends on the system-body distance, on the geometry of the body, and on the interplay of all such parameters with the body optical resonances. While a two-level atom tends toward a thermal state, this is not the case already in the presence of three atomic levels. This peculiar behavior can be exploited, for example, to invert the populations ordering and to provide an efficient cooling mechanism for the internal state of the quantum system. We finally provide numerical studies and asymptotic expressions when the body is a slab of finite thickness. Our predictions can be relevant for a wide class of experimental configurations out of thermal equilibrium involving different physical realizations of two- or three-level systems.
Partition functions and concentrations in plasmas out of thermal equilibrium
Andre, P.
1995-06-01
Taking into account the disequilibrium between the temperatures (electronic, rotational, vibrational, translational) in a nitrogen-plasma out of thermal equilibrium, different partition function and chemical potential calculation method are described and applied. From the variation of the temperature hypotheses, their influence on the plasma concentration is shown.
A numerical model of non-equilibrium thermal plasmas. II. Governing equations
Li HePing; Zhang XiaoNing; Xia Weidong
2013-03-15
Governing equations and the corresponding physical properties of the plasmas are both prerequisites for studying the fundamental processes in a non-equilibrium thermal plasma system numerically. In this paper, a kinetic derivation of the governing equations used for describing the complicated thermo-electro-magneto-hydrodynamic-chemical coupling effects in non-equilibrium thermal plasmas is presented. This derivation, which is achieved using the Chapman-Enskog method, is completely consistent with the theory of the transport properties reported in the previous paper by the same authors. It is shown, based on this self-consistent theory, that the definitions of the specific heat at constant pressure and the reactive thermal conductivity of two-temperature plasmas are not necessary. The governing equations can be reduced to their counterparts under local thermodynamic equilibrium (LTE) and local chemical equilibrium (LCE) conditions. The general method for the determination of the boundary conditions of the solved variables is also discussed briefly. The two papers establish a self-consistent physical-mathematical model that describes the complicated physical and chemical processes in a thermal plasma system for the cases both in LTE or LCE conditions and under non-equilibrium conditions.
Thermal Non-Equilibrium Flows in Three Space Dimensions
NASA Astrophysics Data System (ADS)
Zeng, Yanni
2016-01-01
We study the equations describing the motion of a thermal non-equilibrium gas in three space dimensions. It is a hyperbolic system of six equations with a relaxation term. The dissipation mechanism induced by the relaxation is weak in the sense that the Shizuta-Kawashima criterion is violated. This implies that a perturbation of a constant equilibrium state consists of two parts: one decays in time while the other stays. In fact, the entropy wave grows weakly along the particle path as the process is irreversible. We study thermal properties related to the well-posedness of the nonlinear system. We also obtain a detailed pointwise estimate on the Green's function for the Cauchy problem when the system is linearized around an equilibrium constant state. The Green's function provides a complete picture of the wave pattern, with an exact and explicit leading term. Comparing with existing results for one dimensional flows, our results reveal a new feature of three dimensional flows: not only does the entropy wave not decay, but the velocity also contains a non-decaying part, strongly coupled with its decaying one. The new feature is supported by the second order approximation via the Chapman-Enskog expansions, which are the Navier-Stokes equations with vanished shear viscosity and heat conductivity.
Graphical representation for thermal equilibrium when transition temperatures are present
NASA Astrophysics Data System (ADS)
Rojas, Roberto
2016-01-01
We propose the use of graphics in order to get a quick insight of the thermal equilibrium of two bodies, when a transition temperature is present in the interval between both initial temperatures. We have found two convenient variables in order to represent the mathematical condition for the partial or complete transition of each component. In mixing hot water and cold ice, the proposed graphical representation exhibits straight lines separating four regions corresponding to different equilibrium states, going from one containing just ice up to the other containing just water, and two states in between with increased ice or increased water. This graphical representation helps to avoid typical student errors in learning elementary physics.
Thermal equilibrium and statistical thermometers in special relativity.
Cubero, David; Casado-Pascual, Jesús; Dunkel, Jörn; Talkner, Peter; Hänggi, Peter
2007-10-26
There is an intense debate in the recent literature about the correct generalization of Maxwell's velocity distribution in special relativity. The most frequently discussed candidate distributions include the Jüttner function as well as modifications thereof. Here we report results from fully relativistic one-dimensional molecular dynamics simulations that resolve the ambiguity. The numerical evidence unequivocally favors the Jüttner distribution. Moreover, our simulations illustrate that the concept of "thermal equilibrium" extends naturally to special relativity only if a many-particle system is spatially confined. They make evident that "temperature" can be statistically defined and measured in an observer frame independent way. PMID:17995314
Robust Gaussian entanglement with a macroscopic oscillator at thermal equilibrium
NASA Astrophysics Data System (ADS)
Filip, Radim; Kupčík, Vojtěch
2013-06-01
We propose a feasible Gaussian version of the Schrödinger-cat state. We consider it as a robust Gaussian state of an oscillator prepared in a low-energy Gaussian quantum state entangled with another oscillator which was initially in a quantum state at thermal equilibrium with an arbitrary large energy (macroscopic oscillator). To generate it, we suggest two-mode squeezing as the best candidate. We test that the Gaussian version of the Schrödinger-cat state can be also used to remotely prepare a squeezed state of the macroscopic oscillator.
Giri, Ashutosh; Hopkins, Patrick E
2016-02-28
We develop an analytical model for the thermal boundary conductance between a solid and a gas. By considering the thermal fluxes in the solid and the gas, we describe the transmission of energy across the solid/gas interface with diffuse mismatch theory. From the predicted thermal boundary conductances across solid/gas interfaces, the equilibrium thermal accommodation coefficient is determined and compared to predictions from molecular dynamics simulations on the model solid-gas systems. We show that our model is applicable for modeling the thermal accommodation of gases on solid surfaces at non-cryogenic temperatures and relatively strong solid-gas interactions (εsf ≳ kBT). PMID:26931716
Equilibrium statistical-thermal models in high-energy physics
NASA Astrophysics Data System (ADS)
Tawfik, Abdel Nasser
2014-05-01
We review some recent highlights from the applications of statistical-thermal models to different experimental measurements and lattice QCD thermodynamics that have been made during the last decade. We start with a short review of the historical milestones on the path of constructing statistical-thermal models for heavy-ion physics. We discovered that Heinz Koppe formulated in 1948, an almost complete recipe for the statistical-thermal models. In 1950, Enrico Fermi generalized this statistical approach, in which he started with a general cross-section formula and inserted into it, the simplifying assumptions about the matrix element of the interaction process that likely reflects many features of the high-energy reactions dominated by density in the phase space of final states. In 1964, Hagedorn systematically analyzed the high-energy phenomena using all tools of statistical physics and introduced the concept of limiting temperature based on the statistical bootstrap model. It turns to be quite often that many-particle systems can be studied with the help of statistical-thermal methods. The analysis of yield multiplicities in high-energy collisions gives an overwhelming evidence for the chemical equilibrium in the final state. The strange particles might be an exception, as they are suppressed at lower beam energies. However, their relative yields fulfill statistical equilibrium, as well. We review the equilibrium statistical-thermal models for particle production, fluctuations and collective flow in heavy-ion experiments. We also review their reproduction of the lattice QCD thermodynamics at vanishing and finite chemical potential. During the last decade, five conditions have been suggested to describe the universal behavior of the chemical freeze-out parameters. The higher order moments of multiplicity have been discussed. They offer deep insights about particle production and to critical fluctuations. Therefore, we use them to describe the freeze-out parameters
Thermal equilibrium responses in Guzerat cattle raised under tropical conditions.
Camerro, Leandro Zuccherato; Maia, Alex Sandro Campos; Neto, Marcos Chiquitelli; Costa, Cintia Carol de Melo; Castro, Patric André
2016-08-01
The literature is very sparse regarding research on the thermal equilibrium in Guzerat cattle (Bos indicus) under field conditions. Some factors can modify the physiological response of Guzerat cattle, such as the reactivity of these animals to handling. Thus, the development of a methodology to condition and select Guzerat cattle to acclimate them to the routine collection of data without altering their physiological response was the objective of the preliminary experiment. Furthermore, the animals selected were used in the main experiment to determine their thermal equilibrium according to the thermal environment. For this proposal, the metabolic heat production and heat exchange between the animal and the environment were measured simultaneously in the field with an indirect calorimetry system coupled to a facial mask. The results of the preliminary experiment showed that the respiratory rate could demonstrate that conditioning efficiently reduced the reactivity of the animals to experimental handling. Furthermore, the respiratory rate can be used to select animals with less reactivity. The results of the main experiment demonstrate that the skin, hair-coat surface and expired air temperature depend on the air temperature, whereas the rectal temperature depends on the time of day; consequently, the sensible heat flow was substantially reduced from 70 to 20Wm(-2) when the air temperature increased from 24 to 34°C. However, the respiratory latent heat flow increased from 10 to 15Wm(-2) with the same temperature increase. Furthermore, the metabolic heat production remained stable, independent of the variation of the air temperature; however, it was higher in males than in females (by approximately 25%). This fact can be explained by the variation of the ventilation rate, which had a mean value of 1.6 and 2.2Ls(-1) for females and males, respectively. PMID:27503735
Truncated Thermal Equilibrium Distribution for Intense Beam Propagation
Ronald C. Davidson; Hong Qin; Steven M. Lund
2003-02-26
An intense charged-particle beam with directed kinetic energy ({lambda}{sub b}-1)m{sub b}c{sup 2} propagates in the z-direction through an applied focusing field with transverse focusing force modeled by F{sub foc} = -{lambda}{sub b}m{sub b}{omega}{sub beta}{sup 2} {perpendicular} x {perpendicular} in the smooth focusing approximation. This paper examines properties of the axisymmetric, truncated thermal equilibrium distribution F(sub)b(r,p perpendicular) = A exp (-H Perpendicular/T perpendicular (sub)b) = (H perpendicular-E(sub)b), where A, T perpendicular (sub)b, and E (sub)b are positive constants, and H perpendicular is the Hamiltonian for transverse particle motion. The equilibrium profiles for beam number density, n(sub)b(r) = * d{sup 2}pF(sub)b(r,p perpendicular), and transverse temperature, T perpendicular (sub)b(r) = * d{sup 2}p(p{sup 2} perpendicular/2 lambda (sbu)bm (sub)b)F(sub)b(r,p perpendicular), are calculated self-consistently including space-charge effects. Several properties of the equilibrium profiles are noteworthy. For example, the beam has a sharp outer edge radius r(sub)b with n(sub)b(r greater than or equal to rb) = 0, where r(sub)b depends on the value of E(sub)b/T (sub)perpendicular(sub)b. In addition, unlike the choice of a semi-Gaussian distribution, F{sup SG}(sub)b = A exp (-p{sup 2}(sub)perpendicular/2lambda(sub)bm(sub)bTperpendicular(sub)b) = (r-r(sub)b), the truncated thermal equilibrium distribution F(sub)b(r,p) depends on (r,p) only through the single-particle constant of the motion Hperpendiuclar and is therefore a true steady-state solution (*/*t = 0) of the nonlinear Vlasov-Maxwell equations.
Wang Weizong; Rong Mingzhe; Yan, J. D.; Spencer, Joseph W.; Murphy, A. B.
2011-11-15
Calculated thermophysical properties of nitrogen plasmas in and out of thermal equilibrium are presented. The cut-off of the partition functions due to the lowering of the ionization potential has been taken into account, together with the contributions from different core excited electronic states. The species composition and thermodynamic properties are determined numerically using the Newton-Raphson iterative method, taking into account the corrections due to Coulomb interactions. The transport properties including diffusion coefficient, viscosity, thermal conductivity, and electrical conductivity are calculated using the most recent collision interaction potentials by adopting Devoto's electron and heavy particle decoupling approach, expanded to the third-order approximation (second-order for viscosity) in the framework of Chapman-Enskog method. Results are presented in the pressure range of 0.1 atm-10 atm and in electron temperature range from 300 to 40 000 K, with the ratio of electron temperature to heavy-particle temperature varied from 1 to 20. Results are compared with those from previous works, and the influences of different definitions of the Debye length are discussed.
Local Thermal Equilibrium for Certain Stochastic Models of Heat Transport
NASA Astrophysics Data System (ADS)
Li, Yao; Nándori, Péter; Young, Lai-Sang
2016-04-01
This paper is about nonequilibrium steady states (NESS) of a class of stochastic models in which particles exchange energy with their "local environments" rather than directly with one another. The physical domain of the system can be a bounded region of R^d for any d ge 1. We assume that the temperature at the boundary of the domain is prescribed and is nonconstant, so that the system is forced out of equilibrium. Our main result is local thermal equilibrium in the infinite volume limit. In the Hamiltonian context, this would mean that at any location x in the domain, local marginal distributions of NESS tend to a probability with density 1/Z e^{-β (x) H}, permitting one to define the local temperature at x to be β (x)^{-1}. We prove also that in the infinite volume limit, the mean energy profile of NESS satisfies Laplace's equation for the prescribed boundary condition. Our method of proof is duality: by reversing the sample paths of particle movements, we convert the problem of studying local marginal energy distributions at x to that of joint hitting distributions of certain random walks starting from x, and prove that the walks in question become increasingly independent as system size tends to infinity.
Path integral Liouville dynamics for thermal equilibrium systems
NASA Astrophysics Data System (ADS)
Liu, Jian
2014-06-01
We show a new imaginary time path integral based method—path integral Liouville dynamics (PILD), which can be derived from the equilibrium Liouville dynamics [J. Liu and W. H. Miller, J. Chem. Phys. 134, 104101 (2011)] in the Wigner phase space. Numerical tests of PILD with the simple (white noise) Langevin thermostat have been made for two strongly anharmonic model problems. Since implementation of PILD does not request any specific form of the potential energy surface, the results suggest that PILD offers a potentially useful approach for general condensed phase molecular systems to have the two important properties: conserves the quantum canonical distribution and recovers exact thermal correlation functions (of even nonlinear operators, i.e., nonlinear functions of position or momentum operators) in the classical, high temperature, and harmonic limits.
Path integral Liouville dynamics for thermal equilibrium systems
Liu, Jian
2014-06-14
We show a new imaginary time path integral based method—path integral Liouville dynamics (PILD), which can be derived from the equilibrium Liouville dynamics [J. Liu and W. H. Miller, J. Chem. Phys. 134, 104101 (2011)] in the Wigner phase space. Numerical tests of PILD with the simple (white noise) Langevin thermostat have been made for two strongly anharmonic model problems. Since implementation of PILD does not request any specific form of the potential energy surface, the results suggest that PILD offers a potentially useful approach for general condensed phase molecular systems to have the two important properties: conserves the quantum canonical distribution and recovers exact thermal correlation functions (of even nonlinear operators, i.e., nonlinear functions of position or momentum operators) in the classical, high temperature, and harmonic limits.
Determination of Viral Capsid Elastic Properties from Equilibrium Thermal Fluctuations
NASA Astrophysics Data System (ADS)
May, Eric R.; Brooks, Charles L., III
2011-05-01
We apply two-dimensional elasticity theory to viral capsids to develop a framework for calculating elastic properties of viruses from equilibrium thermal fluctuations of the capsid surface in molecular dynamics and elastic network model trajectories. We show that the magnitudes of the long wavelength modes of motion available in a simulation with all atomic degrees of freedom are recapitulated by an elastic network model. For the mode spectra to match, the elastic network model must be scaled appropriately by a factor which can be determined from an icosahedrally constrained all-atom simulation. With this method we calculate the two-dimensional Young’s modulus Y, bending modulus κ, and Föppl-von Kármán number γ, for the T=1 mutant of the Sesbania mosaic virus. The values determined are in the range of previous theoretical estimates.
RF linac designs with beams in thermal equilibrium
NASA Astrophysics Data System (ADS)
Reiser, Martin; Brown, Nathan
1996-06-01
Beams in conventional radio-frequency linear accelerators (rf linacs) usually have a transverse temperature which is much larger than the longitudinal temperature. With high currents, space charge forces couple the transverse and longitudinal particle motions, driving the beam toward thermal equilibrium, which leads to emittance growth and halo formation. A design strategy is proposed in which the beam has equal transverse and longitudinal temperatures through the entire linac, avoiding these undesirable effects. For such equipartitioned linac beams, simple analytical relationships can be derived for the bunch size, tune depression, and other parameters as a function of beam intensity, emittance, and external focusing. These relations were used to develop three conceptual designs for a 938 MeV, 100 mA proton linac with different tune depressions, which are presented in this paper.
Thermal Non-equilibrium Consistent with Widespread Cooling
NASA Technical Reports Server (NTRS)
Winebarger, A.; Lionello, R.; Mikic, Z.; Linker, J.; Mok, Y.
2014-01-01
Time correlation analysis has been used to show widespread cooling in the solar corona; this cooling has been interpreted as a result of impulsive (nanoflare) heating. In this work, we investigate wide-spread cooling using a 3D model for a solar active region which has been heated with highly stratified heating. This type of heating drives thermal non-equilibrium solutions, meaning that though the heating is effectively steady, the density and temperature in the solution are not. We simulate the expected observations in narrowband EUV images and apply the time correlation analysis. We find that the results of this analysis are qualitatively similar to the observed data. We discuss additional diagnostics that may be applied to differentiate between these two heating scenarios.
Optical stabilization of Rb vapor density above thermal equilibrium
NASA Astrophysics Data System (ADS)
Burchianti, A.; Bogi, A.; Marinelli, C.; Mariotti, E.; Moi, L.
2010-08-01
We stabilize the Rb vapor density above its thermal equilibrium value in sealed glass cells, which are generally used in atomic physics experiments. The method relies on light-induced desorption of Rb atoms from dielectric surfaces. The process does not demand high light intensities so that LEDs or laser diodes can be used as desorbing sources. The experiments are carried out in Pyrex cells either coated with a polydimethylsiloxane film or containing a porous glass sample. Under illumination both the organic coating and the porous sample release a large amount of Rb atoms into the cell volume. We show that the Rb vapor density can be maintained to a preset value, using a desorbing light intensity controlled by a feedback signal given by the Rb absorption or fluorescence level. Moreover, we find that the stabilization technique does not depend on the microscopic mechanisms underlying photodesorption.
Thermal equilibrium of a cryogenic magnetized pure electron plasma
NASA Technical Reports Server (NTRS)
Dubin, D. H. E.; Oneil, T. M.
1986-01-01
The thermal equilibrium correlation properties of a magnetically confined pure electron plasma (McPEP) are related to those of a one-component plasma (OCP). The N-particle spatial distribution rho sub s and the Helmholtz free energy F are evaluated for the McPEP to O(lambda sub d-squared/a-squared), where lambda sub d is the thermal de Broglie wavelength and is an interparticle spacing. The electron gyromotion is allowed to be fully quantized while the guiding center motion is quasi-classical. The distribution rho sub s is shown to be identical to that of a classical OCP with a slightly modified potential. To O(lambda sub d-squared/a-squared) this modification does not affect that part of F that is caused by correlations, as long as certain requirements concerning the size of the plasma are met. This theory is motivated by a current series of experiments that involve the cooling of a magnetically confined pure electron plasma to the cryogenic temperature range.
Bresme, F.; Armstrong, J.
2014-01-07
We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation.
NASA Astrophysics Data System (ADS)
Morel, Vincent; Bultel, Arnaud
2014-11-01
The Collisional-Radiative model CoRaM-Al is elaborated and implemented in a 0D numerical approach in the purpose of describing the formation of the plasma resulting from the interaction between a τ = 4 ns Nd:YAG laser pulse and an aluminium sample in vacuum. The influence of the four harmonics at 266, 355, 532 and 1064 nm on the behavior of the nascent plasma is studied. In each case, the fluence is set equal to the threshold above which a phase explosion takes place (fluence of 7.7, 7.4, 6.8, 5.1 J cm-2 in order of increasing wavelength). The model takes into account free electrons and excited states of Al, Al+, Al2+ and Al3+. Both groups of particles are characterized by their translation temperature in thermal non-equilibrium. Besides, each population density is assumed to be in chemical non-equilibrium and to behave freely through the involved seven elementary processes (electron impact induced excitation and ionization, elastic collisions, multiphoton ionization, inverse laser Bremsstrahlung, direct thermal Bremsstrahlung and spontaneous emission). Atoms passing from the sample to the gas are described by considering classical vaporization phenomena (governed by the Hertz-Knudsen law) so that the surface temperature is limited to values less than the critical point (Tc = 6700 K). The relative role of the elementary processes is discussed and the time-evolution of the excitation of the species is analyzed for the four considered wavelengths. This study allows to determine the different excitation temperatures as well as their evolution in time. Thus the conditions required for the achievement of the Local Thermodynamic Equilibrium can be precisely described.
A convection modified thermal equilibrium in near-critical fluids under microgravity conditions
NASA Astrophysics Data System (ADS)
Accary, G.; Raspo, I.; Bontoux, P.; Zappoli, B.
As the vapor-liquid critical point is approached in zero-gravity, the time it takes for a near-critical fluid cell to reach thermal equilibrium approaches infinity, which necessitates long duration experiments in space. However in microgravity, the convection modifies the thermal equilibrium due to the high density and the hyper-compressibility of a near-critical fluid. Using three-dimensional direct numerical simulations, the aim of this study is to evaluate, in low-gravity conditions, the contribution of the residual convection in reaching the thermal equilibrium and in structuring the temperature field inside a differentially heated enclosure filled with a near-critical fluid.
Emittance growth from bend straight transitions for beams approaching thermal equilibrium
Barnard, J J; Losic, B
1998-08-19
In certain applications such as heavy ion fusion, intense beams with large space charge tune depressions will be transferred from linear transport sections into bent, transport, sections. In some. designs, such as recircutating induction accelerators, transport. through bends will occur over thousands of betatron periods and in some driver designs the final transports through a bend will occur over tens of betatron periods. Over such distances, non-linear space charge forces are expected to produce particle phase space distributions which are close to thermal equilibrium, especially with respect to lower order moments. Here we calculate the properties of thermal equilibrium beams in bends assuming uniform focusing, as a function of two dimensionless parameters. We also outline the calculation of the change in emittance for a beam that is initially in thermal equilibrium in a straight transport section. and that finally reaches thermal equilibrium in a bent system, using an energy conservation constrint to connect, the two states.
Kikuchi, Takashi; Horioka, Kazuhiko
2009-05-15
Possible emittance growths of intense, nonuniform beams during a transport in a focusing channel are derived as a function of nonlinear field energy and space charge tune depression factors. The nonlinear field energy of the beam with thermal equilibrium distribution is estimated by considering the particle distribution across the cross section of the beam. The results show that the possible emittance growth can be suppressed by keeping the beam particle in thermal equilibrium distribution during the beam transport.
On the relaxation of semi-Gaussian and K-V beams to thermal equilibrium
Lund, S.M.; Barnard, J.J.; Miller, J.M.
1995-05-02
A beam propagating in a continuous, linear focusing channel tends to relax to a thermal equilibrium state. We employ nonlinear conservation constraints to theoretically analyze changes in quantities that characterize both an initial semi-Gaussian beam with a matched rms beam envelope and a K-V beam under a relaxation to thermal equilibrium. Results from particle-in-cell simulations are compared to the theoretical predictions.
Telliez, F; Bach, V; Krim, G; Libert, J P
1997-09-01
A new heating unit (servocontrolled skin temperature derivative system) has been designed to control the thermal environment in closed incubators. This type of control acts to attain and closely maintain a thermal equilibrium between a neonate's skin temperature and the environment. The present study aims to discover if thermal equilibrium is located within a thermoneutral range defined from oxygen consumption VO2 and body temperature, and whether it is more appropriate to define an optimal thermal environment. As regards VO2 and body temperature, results show that the air temperature reached at thermal equilibrium fulfils the definition of thermoneutrality. According to these criteria, a small decrease (1:5 degrees C) from thermal equilibrium also provides a near thermoneutral environment to the neonate but induces sleep disturbances and an increase in body movements. These two additional parameters delineate a narrower thermoneutral zone than does minimal metabolic rate because VO2 can stay constant even when air and body temperatures decrease. The results suggest that thermal equilibrium might be assimilated with a thermal comfort zone. PMID:9374057
Choi, Jeunghwan; Bischof, John C
2010-02-01
It is well accepted in cryobiology that the temperature history and cooling rates experienced in biomaterials during freezing procedures correlate strongly with biological outcome. Therefore, heat transfer measurement and prediction in the cryogenic regime is central to the field. Although direct measurement of temperature history (i.e. heat transfer) can be performed, accuracy is usually achieved only for local measurements within a given system and cannot be readily generalized to another system without the aid of predictive models. The accuracy of these models rely upon thermal properties which are known to be highly dependent on temperature, and in the case of significant cryoprotectant loading, also on crystallized fraction. In this work, we review the available thermal properties of biomaterials in the cryogenic regime. The review shows a lack of properties for many biomaterials in the subzero temperature domain, and especially for systems with cryoprotective agents. Unfortunately, use of values from the limited data available (usually only down to -40 degrees C) lead to an underestimation of thermal property change (i.e. conductivity rise and specific heat drop due to ice crystallization) with lower temperatures. Conversely, use of surrogate values based solely on ice thermal properties lead to an overestimation of thermal property change for most biomaterials. Additionally, recent work extending the range of available thermal properties to -150 degrees C has shown that the thermal conductivity will drop in both PBS and tissue (liver) due to amorphous/glassy phases (versus crystalline) of biomaterials with the addition of cryoprotective additives such as glycerol. Thus, we investigated the implications of using approximated or constant property values versus measured temperature-dependent values for predicting temperature history during freezing in PBS (phosphate-buffered saline) and porcine liver with and without cryoprotectants (glycerol). Using measured
Geometrically thin, hot accretion disks - Topology of the thermal equilibrium curves
NASA Technical Reports Server (NTRS)
Kusunose, Masaaki; Mineshige, Shin
1992-01-01
All the possible thermal equilibrium states of geometrically thin alpha-disks around stellar-mass black holes are presented. A (vertically) one-zone disk model is employed and it is assumed that a main energy source is viscous heating of protons and that cooling is due to bremsstrahlung and Compton scattering. There exist various branches of the thermal equilibrium solution, depending on whether disks are effectively optically thick or thin, radiation pressure-dominated or gas pressure-dominated, composed of one-temperature plasmas or of two-temperature plasmas, and with high concentration of e(+)e(-) pairs or without pairs. The thermal equilibrium curves at high temperatures (greater than or approximately equal to 10 exp 8 K) are substantially modified by the presence of e(+)e(-) pairs. The thermal stability of these branches are examined.
Transition from thermal to turbulent equilibrium with a resulting electromagnetic spectrum
Ziebell, L. F.; Yoon, P. H.; Gaelzer, R.; Pavan, J.
2014-01-15
A recent paper [Ziebell et al., Phys. Plasmas 21, 010701 (2014)] discusses a new type of radiation emission process for plasmas in a state of quasi-equilibrium between the particles and enhanced Langmuir turbulence. Such a system may be an example of the so-called “turbulent quasi-equilibrium.” In the present paper, it is shown on the basis of electromagnetic weak turbulence theory that an initial thermal equilibrium state (i.e., only electrostatic fluctuations and Maxwellian particle distributions) transitions toward the turbulent quasi-equilibrium state with enhanced electromagnetic radiation spectrum, thus demonstrating that the turbulent quasi-equilibrium discussed in the above paper correctly describes the weakly turbulent plasma dynamically interacting with electromagnetic fluctuations, while maintaining a dynamical steady-state in the average sense.
NASA Astrophysics Data System (ADS)
Masnoon, Ahmed Shafkat; Bipasha, Ferdaushi Alam; Morshed, A. K. M. M.
2016-07-01
The effect of nanoparticles decoration on the thermal conductivity of a nanowire is studied using Non Equilibrium Molecular Dynamics (NEMD) simulation. The simulation was conducted using simplified molecular model with Lennard-Jones potential. Argon-like solid was used as the material for both the nanowire and nanoparticles. Nanoparticles were placed on the surface of the nanowire and also embedded inside the structure. Non-equilibrium molecular dynamics simulation was conducted by imposing temperature gradient along the length of the nanowire and thermal conductivity of the nanowire was calculated. Nanowire without any nanoparticles was used as the baseline data. Due to presence of nanoparticles thermal conductivity of the nanowire was observed to decrease and up to 40% reduction in thermal conductivity was observed. With the increase in number of the nanoparticles, thermal conductivity was observed to decrease; however size of nanoparticles has little effect.
On return to thermal equilibrium for the excess charge distribution in semiconductors
NASA Astrophysics Data System (ADS)
Paranjape, V. V.
1985-04-01
The relaxation time for the return to thermal equilibrium for the excess charge distribution in metals and in semiconductors is shown to be longer than the relaxation time derived in many textbooks. In semiconductors the relaxation of charge is accompanied by an increase in temperature of the charged carriers. The time of decay τT for the temperature is considerably longer than the time of decay for the excess charge. Hence the overall relaxation time for attaining thermal equilibrium is determined by τT.
The effects of thermal equilibrium and contrast in LWIR polarimetric images.
Tyo, J Scott; Ratliff, Bradley M; Boger, James K; Black, Wiley T; Bowers, David L; Fetrow, Matthew P
2007-11-12
Long-wave infrared (LWIR) polarimetric signatures provide the potential for day-night detection and identification of objects in remotely sensed imagery. The source of optical energy in the LWIR is usually due to thermal emission from the object in question, which makes the signature dependent primarily on the target and not on the external environment. In this paper we explore the impact of thermal equilibrium and the temperature of (unseen) background objects on LWIR polarimetric signatures. We demonstrate that an object can completely lose its polarization signature when it is in thermal equilibrium with its optical background, even if it has thermal contrast with the objects that appear behind it in the image. PMID:19550799
Influence of temperature on the single-stage ATAD process predicted by a thermal equilibrium model.
Cheng, Jiehong; Zhu, Jun; Kong, Feng; Zhang, Chunyong
2015-06-01
Autothermal thermophilic aerobic digestion (ATAD) is a promising biological process that will produce an effluent satisfying the Class A requirements on pathogen control and land application. The thermophilic temperature in an ATAD reactor is one of the critical factors that can affect the satisfactory operation of the ATAD process. This paper established a thermal equilibrium model to predict the effect of variables on the auto-rising temperature in an ATAD system. The reactors with volumes smaller than 10 m(3) could not achieve temperatures higher than 45 °C under ambient temperature of -5 °C. The results showed that for small reactors, the reactor volume played a key role in promoting auto-rising temperature in the winter. Thermophilic temperature achieved in small ATAD reactors did not entirely depend on the heat release from biological activities during degrading organic matters in sludges, but was related to the ambient temperature. The ratios of surface area-to-effective volume less than 2.0 had less impact on the auto-rising temperature of an ATAD reactor. The influence of ambient temperature on the auto-rising reactor temperature decreased with increasing reactor volumes. High oxygen transfer efficiency had a significant influence on the internal temperature rise in an ATAD system, indicating that improving the oxygen transfer efficiency of aeration devices was a key factor to achieve a higher removal rate of volatile solids (VS) during the ATAD process operation. Compared with aeration using cold air, hot air demonstrated a significant effect on maintaining the internal temperature (usually 4-5 °C higher). PMID:25881085
NASA Astrophysics Data System (ADS)
Zhou, Wenting; Yu, Hongwei
2015-05-01
We demonstrate that the Casimir-Polder force for a molecule near the surface of a real dielectric substrate out of thermal equilibrium displays distinctive behaviors as compared to that at thermal equilibrium. In particular, when the molecule-substrate separation is much less than the molecular transition wavelength, the CP force in the high-temperature limit can be dramatically manipulated by varying the relative magnitude of the temperatures of the substrate and the environment so that the attractive-to-repulsive transition can occur beyond a certain threshold temperature of either the substrate or the environment depending on which one is higher for molecules both in the ground and excited states. More remarkably, when the separation is comparable to the wavelength, such transitions which are impossible at thermal equilibrium may happen for longitudinally polarizable molecules with a small permittivity, while for isotropically polarizable ones the transitions can even occur at room temperature for some dielectric substrates such as sapphire and graphite which is much lower than the temperature for the transition to take place in the thermal equilibrium case, thus making the experimental demonstration of such force transitions easier.
Thermal Equilibrium of a Macroscopic Quantum System in a Pure State
NASA Astrophysics Data System (ADS)
Goldstein, Sheldon; Huse, David A.; Lebowitz, Joel L.; Tumulka, Roderich
2015-09-01
We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.
Convex Decompositions of Thermal Equilibrium for Non-interacting Non-relativistic Particles
NASA Astrophysics Data System (ADS)
Chenu, Aurelia; Branczyk, Agata; Sipe, John
2016-05-01
We provide convex decompositions of thermal equilibrium for non-interacting non-relativistic particles in terms of localized wave packets. These quantum representations offer a new tool and provide insights that can help relate to the classical picture. Considering that thermal states are ubiquitous in a wide diversity of fields, studying different convex decompositions of the canonical ensemble is an interesting problem by itself. The usual classical and quantum pictures of thermal equilibrium of N non-interacting, non-relativistic particles in a box of volume V are quite different. The picture in classical statistical mechanics is about (localized) particles with a range of positions and velocities; in quantum statistical mechanics, one considers the particles (bosons or fermions) associated with energy eigenstates that are delocalized through the whole box. Here we provide a representation of thermal equilibrium in quantum statistical mechanics involving wave packets with a localized coordinate representation and an expectation value of velocity. In addition to derive a formalism that may help simplify particular calculations, our results can be expected to provide insights into the transition from quantum to classical features of the fully quantum thermal state.
NUMERICAL SOLUTION FOR THE POTENTIAL AND DENSITY PROFILE OF A THERMAL EQUILIBRIUM SHEET BEAM
Bazouin, Steven M. Lund, Guillaume; Bazouin, Guillaume
2011-04-01
In a recent paper, S. M. Lund, A. Friedman, and G. Bazouin, Sheet beam model for intense space-charge: with application to Debye screening and the distribution of particle oscillation frequencies in a thermal equilibrium beam, in press, Phys. Rev. Special Topics - Accel. and Beams (2011), a 1D sheet beam model was extensively analyzed. In this complementary paper, we present details of a numerical procedure developed to construct the self-consistent electrostatic potential and density profile of a thermal equilibrium sheet beam distribution. This procedure effectively circumvents pathologies which can prevent use of standard numerical integration techniques when space-charge intensity is high. The procedure employs transformations and is straightforward to implement with standard numerical methods and produces accurate solutions which can be applied to thermal equilibria with arbitrarily strong space-charge intensity up to the applied focusing limit.
NUMERICAL SOLUTION FOR THE POTENTIAL AND DENSITY PROFILE OF A THERMAL EQUILIBRIUM SHEET BEAM
Lund, S M; Bazouin, G
2011-03-29
In a recent paper, S. M. Lund, A. Friedman, and G. Bazouin, Sheet beam model for intense space-charge: with application to Debye screening and the distribution of particle oscillation frequencies in a thermal equilibrium beam, in press, Phys. Rev. Special Topics - Accel. and Beams (2011), a 1D sheet beam model was extensively analyzed. In this complementary paper, we present details of a numerical procedure developed to construct the self-consistent electrostatic potential and density profile of a thermal equilibrium sheet beam distribution. This procedure effectively circumvents pathologies which can prevent use of standard numerical integration techniques when space-charge intensity is high. The procedure employs transformations and is straightforward to implement with standard numerical methods and produces accurate solutions which can be applied to thermal equilibria with arbitrarily strong space-charge intensity up to the applied focusing limit.
Steady State Transportation Cooling in Porous Media Under Local, Non-Thermal Equilibrium Fluid Flow
NASA Technical Reports Server (NTRS)
Rodriquez, Alvaro Che
2002-01-01
An analytical solution to the steady-state fluid temperature for 1-D (one dimensional) transpiration cooling has been derived. Transpiration cooling has potential use in the aerospace industry for protection against high heating environments for re-entry vehicles. Literature for analytical treatments of transpiration cooling has been largely confined to the assumption of thermal equilibrium between the porous matrix and fluid. In the present analysis, the fundamental fluid and matrix equations are coupled through a volumetric heat transfer coefficient and investigated in non-thermal equilibrium. The effects of varying the thermal conductivity of the solid matrix and the heat transfer coefficient are investigated. The results are also compared to existing experimental data.
Lunghi, Enrico; Manenti, Raoul; Canciani, Giancarlo; Scarì, Giorgio; Pennati, Roberta; Ficetola, Gentile Francesco
2016-08-01
Information on species thermal physiology is extremely important to understand species responses to environmental heterogeneity and changes. Thermography is an emerging technology that allows high resolution and accurate measurement of body temperature, but until now it has not been used to study thermal physiology of amphibians in the wild. Hydromantes terrestrial salamanders are strongly depending on ambient temperature for their activity and gas exchanges, but information on their body temperature is extremely limited. In this study we tested if Hydromantes salamanders are thermoconform, we assessed whether there are temperature differences among body regions, and evaluated the time required to reach the thermal equilibrium. During summers of 2014 and 2015 we analysed 56 salamanders (Hydromantes ambrosii and Hydromantes italicus) using infrared thermocamera. We photographed salamanders at the moment in which we found them and 1, 2, 3, 4, 5 and 15min after having kept them in the hands. Body temperature was equal to air temperature; salamanders attained the equilibrium with air temperature in about 8min, the time required to reach equilibrium was longer in individuals with large body size. We detected small temperature differences between body parts, the head being slightly warmer than the body and the tail (mean difference: 0.05°C). These salamanders quickly reach the equilibrium with the environment, thus microhabitat measurement allows obtaining accurate information on their tolerance limits. PMID:27503719
New Asymptotic Behavior of the Surface-Atom Force out of Thermal Equilibrium
Antezza, Mauro; Pitaevskii, Lev P.; Stringari, Sandro
2005-09-09
The Casimir-Polder-Lifshitz force felt by an atom near the surface of a substrate is calculated out of thermal equilibrium in terms of the dielectric function of the material and of the atomic polarizability. The new force decays like 1/z{sup 3} at large distances (i.e., slower than at equilibrium), exhibits a sizable temperature dependence, and is attractive or repulsive depending on whether the temperature of the substrate is higher or smaller than the one of the environment. Our predictions can be relevant for experiments with ultracold atomic gases. Both dielectric and metal substrates are considered.
Achieving Chemical Equilibrium: The Role of Imposed Conditions in the Ammonia Formation Reaction
ERIC Educational Resources Information Center
Tellinghuisen, Joel
2006-01-01
Under conditions of constant temperature T and pressure P, chemical equilibrium occurs in a closed system (fixed mass) when the Gibbs free energy G of the reaction mixture is minimized. However, when chemical reactions occur under other conditions, other thermodynamic functions are minimized or maximized. For processes at constant T and volume V,…
Strange scaling and relaxation of finite-size fluctuation in thermal equilibrium
NASA Astrophysics Data System (ADS)
Yamaguchi, Yoshiyuki Y.
2016-07-01
We numerically exhibit two strange phenomena of finite-size fluctuation in thermal equilibrium of a paradigmatic long-range interacting system having a second-order phase transition. One is a nonclassical finite-size scaling at the critical point, which differs from the prediction by statistical mechanics. With the aid of this strange scaling, the scaling theory for infinite-range models conjectures the nonclassical values of critical exponents for the correlation length. The other is relaxation of the fluctuation strength from one level to another in spite of being in thermal equilibrium. A scenario is proposed to explain these phenomena from the viewpoint of the Casimir invariants and their nonexactness in finite-size systems, where the Casimir invariants are conserved in the Vlasov dynamics describing the long-range interacting systems in the limit of large population. This scenario suggests appearance of the reported phenomena in a wide class of isolated long-range interacting systems.
Casimir-lifshitz force out of thermal equilibrium and asymptotic nonadditivity.
Antezza, Mauro; Pitaevskii, Lev P; Stringari, Sandro; Svetovoy, Vitaly B
2006-12-01
We investigate the force acting between two parallel plates held at different temperatures. The force reproduces, as limiting cases, the well-known Casimir-Lifshitz surface-surface force at thermal equilibrium and the surface-atom force out of thermal equilibrium recently derived by M. Antezza et al., Phys. Rev. Lett. 95, 113202 (2005)10.1103/PhysRevLett.95.113202. The asymptotic behavior of the force at large distances is explicitly discussed. In particular when one of the two bodies is a rarefied gas the force is not additive, being proportional to the square root of the density. Nontrivial crossover regions at large distances are also identified. PMID:17155801
Heating of thermal non-equilibrium ions by Alfvén wave via nonresonant interaction
NASA Astrophysics Data System (ADS)
Liu, Hai-Feng; Wang, Shi-Qing; Li, Ke-Hua
2013-10-01
Pickup of thermal non-equilibrium ions by Alfvén wave via nonresonant wave-particle interaction is investigated by means of analytical test-particle theory. Some interesting and new results are found. No matter what the initial velocity distribution is, if the background magnetic field, the Alfvén speed, and the Alfvén magnetic field are fixed, the average parallel velocity never changes when t →∞. Heating effects in the perpendicular and parallel direction just depend on the initial temperature, and the perpendicular temperature increase is more prominent. It is noted that the heating effect of thermal non-equilibrium ions (Kappa ions) is weaker than that of the Maxwellian. This phenomenon may be relative to the heating of ions in the solar corona as well as in some toroidal confinement fusion devices.
Strange scaling and relaxation of finite-size fluctuation in thermal equilibrium.
Yamaguchi, Yoshiyuki Y
2016-07-01
We numerically exhibit two strange phenomena of finite-size fluctuation in thermal equilibrium of a paradigmatic long-range interacting system having a second-order phase transition. One is a nonclassical finite-size scaling at the critical point, which differs from the prediction by statistical mechanics. With the aid of this strange scaling, the scaling theory for infinite-range models conjectures the nonclassical values of critical exponents for the correlation length. The other is relaxation of the fluctuation strength from one level to another in spite of being in thermal equilibrium. A scenario is proposed to explain these phenomena from the viewpoint of the Casimir invariants and their nonexactness in finite-size systems, where the Casimir invariants are conserved in the Vlasov dynamics describing the long-range interacting systems in the limit of large population. This scenario suggests appearance of the reported phenomena in a wide class of isolated long-range interacting systems. PMID:27575102
Sharma, Rohit; Singh, Kuldip
2014-03-15
In the present work, two cases of thermal plasma have been considered; the ground state plasma in which all the atoms and ions are assumed to be in the ground state and the excited state plasma in which atoms and ions are distributed over various possible excited states. The variation of Zγ, frozen isentropic coefficient and the isentropic coefficient with degree of ionization and non-equilibrium parameter θ(= T{sub e}/T{sub h}) has been investigated for the ground and excited state helium and argon plasmas at pressures 1 atm, 10 atm, and 100 atm in the temperature range from 6000 K to 60 000 K. For a given value of non-equilibrium parameter, the relationship of Zγ with degree of ionization does not show any dependence on electronically excited states in helium plasma whereas in case of argon plasma this dependence is not appreciable till degree of ionization approaches 2. The minima of frozen isentropic coefficient shifts toward lower temperature with increase of non-equilibrium parameter for both the helium and argon plasmas. The lowering of non-equilibrium parameter decreases the frozen isentropic coefficient more emphatically in helium plasma at high pressures in comparison to argon plasma. The increase of pressure slightly reduces the ionization range over which isentropic coefficient almost remains constant and it does not affect appreciably the dependence of isentropic coefficient on non-equilibrium parameter.
Thermal boundary resistance in Si/Ge interfaces determined by approach-to-equilibrium simulations
NASA Astrophysics Data System (ADS)
Puligheddu, Marcello; Hahn, Konstanze; Melis, Claudio; Colombo, Luciano
2015-03-01
Nanostructured materials hold great promises as efficient thermoelectrics. In such materials, the propagation of phonons is hindered by the internal interfaces (grain boundaries), leading to a reduced overall thermal conductivity and, therefore, to a larger figure of merit. Any further improvement in this field does, however, require a better fundamental understanding of the specific interface effects on thermal transport. In the present work we use approach-to-equilibrium molecular dynamics simulations (AEMD) to investigate the interfacial thermal resistance (ITR) of Si/Ge interfaces, occurring in very promising nanostructured SiGe alloys. We discuss how ITR depends on the thickness of the interface layer, as well as on its composition. Furthermore, the effect of the heat flux direction has been investigated at ambient temperature showing lower ITR for thermal transport from Si to Ge than vice versa. This feature is discussed in connection to possible rectification effects. Present address: The Institute for Molecular Engineering, University of Chicago.
Phonon thermal transport outside of local equilibrium in nanowires via molecular dynamics
Zhou Ya; Strachan, Alejandro
2013-03-28
We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal transport occurs under conditions away from local equilibrium with low-frequency phonons experiencing a higher thermal gradient than high-frequency ones. This results in a size-dependent increase in the effective thermal conductivity of the wire with decreasing vibrational frequencies of the contacts. The interfacial resistivity when heat flows from the wire to the contact is also size-dependent and has the same physical origin in the lack of full equilibration in short nanowires. We develop a model based on a 1D atomic chain that captures the salient physics of the MD results.
NASA Technical Reports Server (NTRS)
Haskins, Justin; Kinaci, Alper; Sevik, Cem; Cagin, Tahir
2012-01-01
It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.
Zhang, Le; Luo, Feng; Xu, Ruina; Jiang, Peixue; Liu, Huihai
2014-12-31
The heat transfer and fluid transport of supercritical CO2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetricmore » heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.« less
The influence of thermal pressure on equilibrium models of hypermassive neutron star merger remnants
Kaplan, J. D.; Ott, C. D.; Roberts, L.; O'Connor, E. P.; Kiuchi, K.; Duez, M.
2014-07-20
The merger of two neutron stars leaves behind a rapidly spinning hypermassive object whose survival is believed to depend on the maximum mass supported by the nuclear equation of state (EOS), angular momentum redistribution by (magneto-)rotational instabilities, and spindown by gravitational waves. The high temperatures (∼5-40 MeV) prevailing in the merger remnant may provide thermal pressure support that could increase its maximum mass and, thus, its life on a neutrino-cooling timescale. We investigate the role of thermal pressure support in hypermassive merger remnants by computing sequences of spherically symmetric and axisymmetric uniformly and differentially rotating equilibrium solutions to the general-relativistic stellar structure equations. Using a set of finite-temperature nuclear EOS, we find that hot maximum-mass critically spinning configurations generally do not support larger baryonic masses than their cold counterparts. However, subcritically spinning configurations with mean density of less than a few times nuclear saturation density yield a significantly thermally enhanced mass. Even without decreasing the maximum mass, cooling and other forms of energy loss can drive the remnant to an unstable state. We infer secular instability by identifying approximate energy turning points in equilibrium sequences of constant baryonic mass parameterized by maximum density. Energy loss carries the remnant along the direction of decreasing gravitational mass and higher density until instability triggers collapse. Since configurations with more thermal pressure support are less compact and thus begin their evolution at a lower maximum density, they remain stable for longer periods after merger.
Non-Equilibrium Dynamics of an Atomic Gas Coupled to a Synthetic Thermal Body
NASA Astrophysics Data System (ADS)
Price, Craig; Liu, Qi; Zhao, Jianshi; Gemelke, Nathan
2016-05-01
One takes for Granted that thermal equilibrium can be established between two bodies by bringing them into physical contact with one another - viewed externally however, any statistical reservoir must therefore interact in ways such that the exchange of conserved quantities satisfy basic constraints which define the equilibrium it and any attached bodies reach. We describe the experimental construction of a ``synthetic thermal body,'' engineered by controlling the spatio-temporal modulation of nominally conservative optical, radio-frequency, and microwave couplings of a 87 Rb neutral atomic gas carrying hyperfine-spin to a spin-dependent spatially and temporally disordered bath. We measure the out-of-equilibrium response through its resultant diffusive motion, extracting drift and diffusion parameters, and making comparison to the Einstein-Smoluchowski and generalized fluctuation-dissipation relations. We discuss new limits on temperature and density for direct cooling by suitably engineered baths, by simultaneously avoiding the constraints of photon-recoil and density-dependent losses from light-assisted collisional processes in traditional laser cooling, and discuss new avenues in quantum simulation by coupling atomic gasses to statistically-generated and open environments.
Conversion of pine sawdust bio-oil (raw and thermally processed) over equilibrium FCC catalysts.
Bertero, Melisa; Sedran, Ulises
2013-05-01
A raw bio-oil from pine sawdust, the liquid product from its thermal conditioning and a synthetic bio-oil composed by eight model compounds representing the main chemical groups in bio-oils, were converted thermally and over a commercial equilibrium FCC catalyst. The experiments were performed in a fixed bed reactor at 500 °C. The highest hydrocarbon yield (53.5 wt.%) was obtained with the conditioned liquid. The coke yields were significant in all the cases, from 9 to 14 wt.%. The synthetic bio-oil produced lesser hydrocarbons and more oxygenated compounds and coke than the authentic feedstocks from biomass. The previous thermal treatment of the raw bio-oil had the positive effects of increasing 25% the yield of hydrocarbons, decreasing 55% the yield of oxygenated compounds and decreasing 20% the yield of coke, particularly the more condensed coke. PMID:23375765
Gheribi, Aïmen E; Salanne, Mathieu; Chartrand, Patrice
2015-03-28
The composition dependence of thermal transport properties of the (Na,K)Cl rocksalt solid solution is investigated through equilibrium molecular dynamics (EMD) simulations in the entire range of composition and the results are compared with experiments published in recent work [Gheribi et al., J. Chem. phys. 141, 104508 (2014)]. The thermal diffusivity of the (Na,K)Cl solid solution has been measured from 473 K to 823 K using the laser flash technique, and the thermal conductivity was deduced from critically assessed data of heat capacity and density. The thermal conductivity was also predicted at 900 K in the entire range of composition by a series of EMD simulations in both NPT and NVT statistical ensembles using the Green-Kubo theory. The aim of the present paper is to provide an objective analysis of the capability of EMD simulations in predicting the composition dependence of the thermal transport properties of halide solid solutions. According to the Klemens-Callaway [P. G. Klemens, Phys. Rev. 119, 507 (1960) and J. Callaway and H. C. von Bayer, Phys. Rev. 120, 1149 (1960)] theory, the thermal conductivity degradation of the solid solution is explained by mass and strain field fluctuations upon the phonon scattering cross section. A rigorous analysis of the consistency between the theoretical approach and the EMD simulations is discussed in detail. PMID:25833567
Gheribi, Aïmen E. Chartrand, Patrice; Salanne, Mathieu
2015-03-28
The composition dependence of thermal transport properties of the (Na,K)Cl rocksalt solid solution is investigated through equilibrium molecular dynamics (EMD) simulations in the entire range of composition and the results are compared with experiments published in recent work [Gheribi et al., J. Chem. phys. 141, 104508 (2014)]. The thermal diffusivity of the (Na,K)Cl solid solution has been measured from 473 K to 823 K using the laser flash technique, and the thermal conductivity was deduced from critically assessed data of heat capacity and density. The thermal conductivity was also predicted at 900 K in the entire range of composition by a series of EMD simulations in both NPT and NVT statistical ensembles using the Green-Kubo theory. The aim of the present paper is to provide an objective analysis of the capability of EMD simulations in predicting the composition dependence of the thermal transport properties of halide solid solutions. According to the Klemens-Callaway [P. G. Klemens, Phys. Rev. 119, 507 (1960) and J. Callaway and H. C. von Bayer, Phys. Rev. 120, 1149 (1960)] theory, the thermal conductivity degradation of the solid solution is explained by mass and strain field fluctuations upon the phonon scattering cross section. A rigorous analysis of the consistency between the theoretical approach and the EMD simulations is discussed in detail.
Cooling and Non-equilibrium Motion of an Ultracold Atomic Gas using Synthetic Thermal Bodies
NASA Astrophysics Data System (ADS)
Price, Craig; Liu, Qi; Zhao, Jianshi; Gemelke, Nathan
2016-05-01
We describe the non-equilibrium behavior of atomic gases immersed in synthetic thermal environments created by engineered statistical reservoirs of spatio-temporally disordered light. By dynamically modulating the modal distribution of an optical fiber carrying far off-resonant light, optical dipole potentials are created for 87 Rb atoms with specified spatial and temporal spectra. Additional coupling to thermal reserviors defined by time-dependent radio-frequency-induced hyperfine spin-couplings offers a wide range of control over thermal excitations. By controlling the statistical properties of the baths, diffusive motion can be tailored in real-time, and transport can be controlled even at ultra-cold temperatures below the photon recoil. The use of an effectively statistical classical body opens new avenues for quantum simulation, and offers opportunities for study of systems governed by effective hamiltonians which are themselves poised near critical points, and the simulation of effectively many-body systems through the non-equilibrium motion of single atoms.
Rosa, F. S. S.; Dalvit, D. A. R.; Milonni, P. W.
2010-03-15
The derivation of Casimir forces between dielectrics can be simplified by ignoring absorption, calculating energy changes due to displacements of the dielectrics, and only then admitting absorption by allowing permittivities to be complex. As a first step toward a better understanding of this situation we consider in this article the model of a dielectric as a collection of oscillators, each of which is coupled to a reservoir giving rise to damping and Langevin forces on the oscillators and a noise polarization acting as a source of a fluctuating electromagnetic field in the dielectric. The model leads naturally to expressions for the quantized electric and magnetic fields that are consistent with those obtained in approaches that diagonalize the coupled system of oscillators for the dielectric medium, the reservoir, and the electromagnetic field. It also results in a fluctuation-dissipation relation between the noise polarization and the imaginary part of the permittivity; comparison with the Rytov fluctuation-dissipation relation employed in the well-known Lifshitz theory for the van der Waals (or Casimir) force shows that the Lifshitz theory is actually a classical stochastic electrodynamical theory. The approximate classical expression for the energy density in a band of frequencies at which absorption in a dielectric is negligible is shown to be exact as a spectral thermal equilibrium expectation value in quantum electrodynamic theory. Our main result is the derivation of an expression for the QED energy density of a uniform dispersive, absorbing media in thermal equilibrium. The spectral density of the energy is found to have the same form with or without absorption. We also show how the fluctuation-dissipation theorem ensures a detailed balance of energy exchange between the (absorbing) medium, the reservoir, and the electromagnetic field in thermal equilibrium.
Thermal non-equilibrium analysis of porous annulus subjected to segmental isothermal heater - Part B
NASA Astrophysics Data System (ADS)
Al-Rashed, Abdullah A. A. A.; Salman, Ahmed N. J.; Khaleed, H. M. T.; Khan, T. M. Yunus; Kamangar, Sarfaraz
2016-06-01
Investigation of heat transfer in an annular porous cylinder subjected to segmental heating is carried out. Thermal non-equilibrium condition is applied to porous medium. Finite element method is used to solve the governing partial differential equations. The fluid is assumed to follow Darcy law. The boundary conditions are such that the fluid and solid phase have different temperatures at the hot wall. The current study is an extension of the paper part-A in this conference but elaborating the results for heat transfer behavior in terms of Nusselt number.
Gheribi, Aïmen E; Chartrand, Patrice
2016-02-28
A theoretical model for the description of thermal conductivity of molten salt mixtures as a function of composition and temperature is presented. The model is derived by considering the classical kinetic theory and requires, for its parametrization, only information on thermal conductivity of pure compounds. In this sense, the model is predictive. For most molten salt mixtures, no experimental data on thermal conductivity are available in the literature. This is a hindrance for many industrial applications (in particular for thermal energy storage technologies) as well as an obvious barrier for the validation of the theoretical model. To alleviate this lack of data, a series of equilibrium molecular dynamics (EMD) simulations has been performed on several molten chloride systems in order to determine their thermal conductivity in the entire range of composition at two different temperatures: 1200 K and 1300 K. The EMD simulations are first principles type, as the potentials used to describe the interactions have been parametrized on the basis of first principle electronic structure calculations. In addition to the molten chlorides system, the model predictions are also compared to a recent similar EMD study on molten fluorides and with the few reliable experimental data available in the literature. The accuracy of the proposed model is within the reported numerical and/or experimental errors. PMID:26931711
NASA Astrophysics Data System (ADS)
Zhou, Wenting; Yu, Hongwei
2014-09-01
We study the energy shift and the Casimir-Polder force of an atom out of thermal equilibrium near the surface of a dielectric substrate. We first generalize, adopting the local source hypothesis, the formalism proposed by Dalibard, Dupont-Roc, and Cohen-Tannoudji [J. Phys. (Paris) 43, 1617 (1982), 10.1051/jphys:0198200430110161700; J. Phys. (Paris) 45, 637 (1984), 10.1051/jphys:01984004504063700], which separates the contributions of thermal fluctuations and radiation reaction to the energy shift and allows a distinct treatment of atoms in the ground and excited states, to the case out of thermal equilibrium, and then we use the generalized formalism to calculate the energy shift and the Casimir-Polder force of an isotropically polarizable neutral atom. We identify the effects of the thermal fluctuations that originate from the substrate and the environment and discuss in detail how the Casimir-Polder force out of thermal equilibrium behaves in three different distance regions in both the low-temperature limit and the high-temperature limit for both the ground-state and excited-state atoms, with special attention devoted to the distinctive features as opposed to thermal equilibrium. In particular, we recover the distinctive behavior of the atom-wall force out of thermal equilibrium at large distances in the low-temperature limit recently found in a different theoretical framework, and furthermore we give a concrete region where this behavior holds.
Insight into lattice thermal impedance via equilibrium molecular dynamics: case study on Al
NASA Astrophysics Data System (ADS)
Evteev, Alexander V.; Levchenko, Elena V.; Momenzadeh, Leila; Belova, Irina V.; Murch, Graeme E.
2016-02-01
Using results of equilibrium molecular dynamics simulation in conjunction with the Green-Kubo formalism, we present a general treatment of thermal impedance of a crystal lattice with a monatomic unit cell. The treatment is based on an analytical expression for the heat current autocorrelation function which reveals, in a monatomic lattice, an energy gap between the origin of the phonon states and the beginning of the energy spectrum of the so-called acoustic short-range phonon modes. Although, we consider here the f.c.c. Al model as a case example, the analytical expression is shown to be consistent for different models of elemental f.c.c. crystals over a wide temperature range. Furthermore, we predict a frequency 'window' where the thermal waves can be generated in a monatomic lattice by an external periodic temperature perturbation.
NASA Astrophysics Data System (ADS)
Cartoixà, Xavier; Dettori, Riccardo; Melis, Claudio; Colombo, Luciano; Rurali, Riccardo
2016-07-01
We study thermal transport in porous Si nanowires (SiNWs) by means of approach-to-equilibrium molecular dynamics simulations. We show that the presence of pores greatly reduces the thermal conductivity, κ, of the SiNWs as long mean free path phonons are suppressed. We address explicitly the dependence of κ on different features of the pore topology—such as the porosity and the pore diameter—and on the nanowire (NW) geometry—diameter and length. We use the results of the molecular dynamics calculations to tune an effective model, which is capable of capturing the dependence of κ on porosity and NW diameter. The model illustrates the failure of Matthiessen's rule to describe the coupling between boundary and pore scattering, which we account for by the inclusion of an additional empirical term.
THERMAL NON-EQUILIBRIUM REVISITED: A HEATING MODEL FOR CORONAL LOOPS
Lionello, Roberto; Linker, Jon A.; Mikic, Zoran; Winebarger, Amy R.; Mok, Yung E-mail: linkerj@predsci.com E-mail: amy.r.winebarger@nasa.gov
2013-08-20
The location and frequency of events that heat the million-degree corona are still a matter of debate. One potential heating scenario is that the energy release is effectively steady and highly localized at the footpoints of coronal structures. Such an energy deposition drives thermal non-equilibrium solutions in the hydrodynamic equations in longer loops. This heating scenario was considered and discarded by Klimchuk et al. on the basis of their one-dimensional simulations as incapable of reproducing observational characteristics of loops. In this paper, we use three-dimensional simulations to generate synthetic emission images, from which we select and analyze six loops. The main differences between our model and that of Klimchuk et al. concern (1) dimensionality, (2) resolution, (3) geometrical properties of the loops, (4) heating function, and (5) radiative function. We find evidence, in this small set of simulated loops, that the evolution of the light curves, the variation of temperature along the loops, the density profile, and the absence of small-scale structures are compatible with the characteristics of observed loops. We conclude that quasi-steady footpoint heating that drives thermal non-equilibrium solutions cannot yet be ruled out as a viable heating scenario for EUV loops.
Identifying student resources in reasoning about entropy and the approach to thermal equilibrium
NASA Astrophysics Data System (ADS)
Loverude, Michael
2015-12-01
[This paper is part of the Focused Collection on Upper Division Physics Courses.] As part of an ongoing project to examine student learning in upper-division courses in thermal and statistical physics, we have examined student reasoning about entropy and the second law of thermodynamics. We have examined reasoning in terms of heat transfer, entropy maximization, and statistical treatments of multiplicity and probability. In this paper, we describe student responses in interviews focused on the approach of macroscopic systems to thermal equilibrium. Our data suggest that students do not use a single simple model of entropy, but rather use a variety of conceptual resources. Individual students frequently shifted between resources, in some cases leading to contradictory predictions. Among the resources that students employed were some that have been previously described in the literature, including inappropriate use of conservation. However, our results suggest that student use of resources connected to disorder are neither simple nor monolithic. For example, many students used a previously unreported association between the equilibrium state of a system and an increase in order, rather than disorder.
NASA Astrophysics Data System (ADS)
Gao, Tianfu; Chen, Jincan
Based on the general model of thermally-driven Brownian motors, an equivalent cycle system is established and the Onsager coefficients and efficiency at the maximum power output of the system are analytically calculated from non-equilibrium thermodynamics. It is found that the Onsager reciprocity relation holds and the Onsager coefficients are affected by the main irreversibilities existing in practical systems. Only when the heat leak and the kinetic energy change of the particle in the system are negligible, can the determinant of the Onsager matrix vanish. It is also found that in the frame of non-equilibrium thermodynamics, the power output and efficiency of an irreversible Brownian motor can be expressed to be the same form as those of an irreversible Carnot heat engine, so the results obtained here are of general significance. Moreover, these results are used to analyze the performance characteristics of a class of thermally-driven Brownian motors so that some important conclusions in literature may be directly derived from the present paper.
Length dependence of thermal conductivity by approach-to-equilibrium molecular dynamics
NASA Astrophysics Data System (ADS)
Zaoui, Hayat; Palla, Pier Luca; Cleri, Fabrizio; Lampin, Evelyne
2016-08-01
The length dependence of thermal conductivity over more than two orders of magnitude has been systematically studied for a range of materials, interatomic potentials, and temperatures using the atomistic approach-to-equilibrium molecular dynamics (AEMD) method. By comparing the values of conductivity obtained for a given supercell length and maximum phonon mean free path (MFP), we find that such values are strongly correlated, demonstrating that the AEMD calculation with a supercell of finite length actually probes the thermal conductivity corresponding to a maximum phonon MFP. As a consequence, the less pronounced length dependence usually observed for poorer thermal conductors, such as amorphous silica, is physically justified by their shorter average phonon MFP. Finally, we compare different analytical extrapolations of the conductivity to infinite length and demonstrate that the frequently used Matthiessen rule is not applicable in AEMD. An alternative extrapolation more suitable for transient-time, finite-supercell simulations is derived. This approximation scheme can also be used to classify the quality of different interatomic potential models with respect to their capability of predicting the experimental thermal conductivity.
Spurgeon, H A; duBell, W H; Stern, M D; Sollott, S J; Ziman, B D; Silverman, H S; Capogrossi, M C; Talo, A; Lakatta, E G
1992-01-01
1. Single isolated rat cardiac myocytes were loaded with either the pentapotassium salt form or the acetoxymethyl ester (AM) form of the calcium-sensitive fluorescent probe, Indo-1. The relationship of the Indo-1 fluorescence transient, an index of the change in cytosolic calcium [Ca2+]i concentration, to the simultaneously measured cell length during the electrically stimulated twitch originating from slack length at 23 degrees C was evaluated. It was demonstrated that even if the Ca2+ dissociation rate from Indo-1 was assumed to be as slow as 10 s-1, the descending limb ('relaxation phase') of the Indo-1 fluorescence transient induced by excitation under these conditions is in equilibrium with the [Ca2+]i transient. Additionally, the extent of Indo-1 loading employed did not substantially alter the twitch characteristics. 2. A unique relationship between the fluorescence transient and cell length was observed during relaxation of contractions that varied in amplitude. This was manifest as a common trajectory in the cell length vs. [Ca2+]i phase-plane diagrams beginning at the time of cell relengthening. The common trajectory could also be demonstrated in Indo-1 AM-loaded cells. The Indo-1 fluorescence-length relation defined by this common trajectory is steeper than that described by the relation of peak contraction amplitude and peak fluorescence during the twitch contractions. 3. The trajectory of the [Ca2+]i-length relation elicited via an abrupt, rapid, brief (200 ms) pulse of caffeine directly onto the cell surface or by 'tetanization' of cells in the presence of ryanodine is identical to the common [Ca2+]i-length trajectory formed by electrically stimulated contractions of different magnitudes. As the [Ca2+]i and length transients induced by caffeine application or during tetanization in the presence of ryanodine develop with a much slower time course than those elicited by electrical stimulation, the common trajectory is not fortuitous, i.e. it cannot be
NASA Technical Reports Server (NTRS)
Tuchman, Y.; Mineshige, S.; Wheeler, J. C.
1990-01-01
The thermal equilibrum structure and dynamical behavior of externally irradiated accretion disks are investigated. For radiative disks only the surface layer is heated, while for convective disks the heat penetrates deeply into the disk. For sufficiently strong radiation and given irradiation flux F(irr), the disk is completely stabilized against thermal instabilities of the sort invoked to explain dwarf novae. For moderately strong irradiation there is still an unstable branch in the thermal equilibrium curve. In typical soft X-ray transients, the disk is unstable against the dwarf-nova type instability. Fixed F(irr) on accretion disk annuli reduces the amplitude and the quiescent times and increases the outburst duration of the resultant light curves. Varying F(irr) in proportion to the mass accretion rate at the disks's inner edge results in light curves with a plateau in the decay from outbursts. In the case when irradiation is suddenly switched on, a temperature inversion results which leads to the formation of an accretion corona.
Ostriker, Eve C.; McKee, Christopher F.; Leroy, Adam K. E-mail: cmckee@astro.berkeley.ed
2010-10-01
We develop a model for the regulation of galactic star formation rates {Sigma}{sub SFR} in disk galaxies, in which interstellar medium (ISM) heating by stellar UV plays a key role. By requiring that thermal and (vertical) dynamical equilibrium are simultaneously satisfied within the diffuse gas, and that stars form at a rate proportional to the mass of the self-gravitating component, we obtain a prediction for {Sigma}{sub SFR} as a function of the total gaseous surface density {Sigma} and the midplane density of stars+dark matter {rho}{sub sd}. The physical basis of this relationship is that the thermal pressure in the diffuse ISM, which is proportional to the UV heating rate and therefore to {Sigma}{sub SFR}, must adjust until it matches the midplane pressure value set by the vertical gravitational field. Our model applies to regions where {Sigma} {approx}< 100 M{sub sun} pc{sup -2}. In low-{Sigma}{sub SFR} (outer-galaxy) regions where diffuse gas dominates, the theory predicts that {Sigma}{sub SFR{proportional_to}{Sigma}{radical}}({rho}{sub sd}). The decrease of thermal equilibrium pressure when {Sigma}{sub SFR} is low implies, consistent with observations, that star formation can extend (with declining efficiency) to large radii in galaxies, rather than having a sharp cutoff at a fixed value of {Sigma}. The main parameters entering our model are the ratio of thermal pressure to total pressure in the diffuse ISM, the fraction of diffuse gas that is in the warm phase, and the star formation timescale in self-gravitating clouds; all of these are (at least in principle) direct observables. At low surface density, our model depends on the ratio of the mean midplane FUV intensity (or thermal pressure in the diffuse gas) to the star formation rate, which we set based on solar-neighborhood values. We compare our results to recent observations, showing good agreement overall for azimuthally averaged data in a set of spiral galaxies. For the large flocculent spiral
Simulating ionic thermal trasport by equilibrium ab-initio molecular dynamics
NASA Astrophysics Data System (ADS)
Marcolongo, Aris; Umari, Paolo; Baroni, Stefano
2014-03-01
The Green-Kubo approach to thermal transport is often considered to be incompatible with ab-initio molecular dynamics (AIMD) because a suitable quantum-mechanical definition of the heat current is not readily available, due to the ill-definedness of the microscopic energy density to which it is related by the continuity equation. We argue that a similar difficulty actually exists in classical mechanics as well, and we address the conditions that have to be fulfilled in order for the physically well defined transport coefficients to be independent of the ill defined microscopic energy density from which they derive. We then provide two alternative approaches to calculating thermal conductivites from equilibrium AIMD. The first is based on the Green-Kubo formula, supplemented with an expression for the energy current, which is a generalization of Thouless' expression for the adiabatic charge current. The second approach, which avoids the recourse to an energy current altogether, rests on an efficient and accurate extrapolation to infinite wavelengths of the energy-density time correlation functions. The two methods are compared on a simple classical test bed, and their implementation in AIMD is demonstrated with the calculation of the thermal conductivity of simple fluids.
Thermal equilibrium in gas-discharge plasma of low pressure mercury lamp
NASA Astrophysics Data System (ADS)
Gorbunkov, V. I.; Solomonov, V. I.
2015-12-01
A study was conducted emission spectra germicidal low pressure mercury lamp at currents 100-306 mA located in a closed opaque cavity. It is shown that the lamps located in the cavity with perfectly reflecting and absorbing internal surfaces, in the emission resonance line of mercury is dominant at λr = 253.65 nm. The same pattern is observed in the tube placed in a cavity with diffusely reflecting surface at a low current of about 100 mA. However the picture of spectrum changes at higher discharge current. The spectrum of the lamp with arc discharge at a current of 306 mA contains the maxima of the spectral lines. Its intensities are approximately described by Planck's radiation law at the temperature of 9270 +/- 230 K. The mechanisms of establish thermal equilibrium are discussed.
Microscopic theory of the Casimir force at thermal equilibrium: large-separation asymptotics.
Buenzli, P R; Martin, Ph A
2008-01-01
We present an entirely microscopic calculation of the Casimir force f(d) between two metallic plates in the limit of large separation d . The models of metals consist of mobile quantum charges in thermal equilibrium with the photon field at positive temperature T . Fluctuations of all degrees of freedom, matter and field, are treated according to the principles of quantum electrodynamics and statistical physics without recourse to approximations or intermediate assumptions. Our main result is the correctness of the asymptotic universal formula f(d) approximately -zeta(3)kBT/8pid3, d-->infinity. This supports the fact that, in the framework of the Lifshitz theory of electromagnetic fluctuations, transverse electric modes do not contribute in this regime. Moreover, the microscopic origin of universality is seen to rely on perfect screening sum rules that hold in great generality for conducting media. PMID:18351825
Thermal non-equilibrium analysis of porous annulus subjected to segmental isothermal heater - Part A
NASA Astrophysics Data System (ADS)
Al-Rashed, Abdullah A. A. A.; Salman, Ahmed N. J.; Khaleed, H. M. T.; Khan, T. M. Yunus; Kamangar, Sarfaraz
2016-06-01
The objective of present study is to evaluate the effect of the length and location of segmental heating of inner radius of annular cylinder containing porous medium between inner and outer radii. The fluid and solid matrix of porous medium are assumed to have temperature discrepancy subjected to isothermal heating of heater. The fluid is assumed to follow Darcy law and two separate equations are considered for energy transport to account for the thermal non-equilibrium condition. The boundary conditions are such that fluid and solid phase have different temperatures at the hot wall. The study is conducted for different lengths of heater corresponding to the 20%, 35% and 50% of the total height of the cylinder. The location of the heater is varied to three positions i.e. bottom section, mid-section and top of the cylinder.
Thermal Non-equilibrium Revealed by Periodic Pulses of Random Amplitudes in Solar Coronal Loops
NASA Astrophysics Data System (ADS)
Auchère, F.; Froment, C.; Bocchialini, K.; Buchlin, E.; Solomon, J.
2016-08-01
We recently detected variations in extreme ultraviolet intensity in coronal loops repeating with periods of several hours. Models of loops including stratified and quasi-steady heating predict the development of a state of thermal non-equilibrium (TNE): cycles of evaporative upflows at the footpoints followed by falling condensations at the apex. Based on Fourier and wavelet analysis, we demonstrate that the observed periodic signals are indeed not signatures of vibrational modes. Instead, superimposed on the power law expected from the stochastic background emission, the power spectra of the time series exhibit the discrete harmonics and continua expected from periodic trains of pulses of random amplitudes. These characteristics reinforce our earlier interpretation of these pulsations as being aborted TNE cycles.
Nonlocal-thermal-equilibrium model of a pulsed capillary discharge waveguide.
Broks, B H P; Garloff, K; van der Mullen, J J A M
2005-01-01
Slow pulsed capillary discharges are under investigation for use as plasma channel waveguides in laser-wakefield acceleration. In this study, we present a non-local thermal equilibrium (non-LTE) plasma model with a model for the wall temperature coupled to it. This model is used to describe an example of a slow pulsed capillary discharge, and the results are compared with experimental results. The agreement is satisfactory, indicating suitability of our model. Significant deviations from LTE are found during the formation of the plasma channel. The model is also used to study the influence of the discharge current on the guiding properties. It was found that this influence is small over most of the current range that was investigated. PMID:15697729
Effect of thermal pretreatment on equilibrium moisture content of lignocellulosic biomass.
Acharjee, Tapas C; Coronella, Charles J; Vasquez, Victor R
2011-04-01
The equilibrium moisture content (EMC) of raw lignocellulosic biomass, along with four samples subjected to thermal pretreatment, was measured at relative humidities ranging from 11% to 97% at a constant temperature of 30 °C. Three samples were prepared by treatment in hot compressed water by a process known as wet torrefaction, at temperatures of 200, 230, and 260 °C. An additional sample was prepared by dry torrefaction at 300 °C. Pretreated biomass shows EMC below that of raw biomass. This indicates that pretreated biomass, both dry and wet torrefied, is more hydrophobic than raw biomass. The EMC results were correlated with a recent model that takes into account additional non-adsorption interactions of water, such as mixing and swelling. The model offers physical insight into the water activity in lignocellulosic biomass. PMID:21310606
Thermal equilibrium of non-neutral plasma in dipole magnetic field
Sato, N.; Kasaoka, N.; Yoshida, Z.
2015-04-15
Self-organization of a long-lived structure is one of the remarkable characteristics of macroscopic systems governed by long-range interactions. In a homogeneous magnetic field, a non-neutral plasma creates a “thermal equilibrium,” which is a Boltzmann distribution on a rigidly rotating frame. Here, we study how a non-neutral plasma self-organizes in inhomogeneous magnetic field; as a typical system, we consider a dipole magnetic field. In this generalized setting, the plasma exhibits its fundamental mechanism that determines the relaxed state. The scale hierarchy of adiabatic invariants is the determinant; the Boltzmann distribution under the topological constraint by the robust adiabatic invariants (hence, the homogeneous distribution with respect to the fragile invariant) is the relevant relaxed state, which turns out to be a rigidly rotating clump of particles (just same as in a homogeneous magnetic field), while the density is no longer homogeneous.
Complex time dependent wave packet technique for thermal equilibrium systems - Electronic spectra
NASA Technical Reports Server (NTRS)
Reimers, J. R.; Wilson, K. R.; Heller, E. J.
1983-01-01
A time dependent wave packet method is presented for the rapid calculation of the properties of systems in thermal equilibrium and is applied, as an illustration, to electronic spectra. The thawed Gaussian approximation to quantum wave packet dynamics combined with evaluation of the density matrix operator by imaginary time propagation is shown to give exact electronic spectra for harmonic potentials and excellent results for both a Morse potential and for the band contours of the three transitions of the visible electronic absorption spectrum of the iodine molecule. The method, in principle, can be extended to many atoms (e.g., condensed phases) and to other properties (e.g., infrared and Raman spectra and thermodynamic variables).
The Thermal Equilibrium Solution of a Generic Bipolar Quantum Hydrodynamic Model
NASA Astrophysics Data System (ADS)
Unterreiter, Andreas
The thermal equilibrium state of a bipolar, isothermic quantum fluid confined to a bounded domain ,d = 1,2 or d = 3 is entirely described by the particle densities n, p, minimizing the energy
Ueda, Keisuke; Higashi, Kenjirou; Yamamoto, Keiji; Moribe, Kunikazu
2015-04-01
The maintenance mechanism of the supersaturated state of poorly water-soluble drugs, glibenclamide (GLB) and chlorthalidone (CLT), in hydroxypropyl methylcellulose acetate succinate (HPMC-AS) solution was investigated at a molecular level. HPMC-AS suppressed drug crystallization from supersaturated drug solution and maintained high supersaturated level of drugs with small amount of HPMC-AS for 24 h. However, the dissolution of crystalline GLB into HPMC-AS solution failed to produce supersaturated concentrations, although supersaturated concentrations were achieved by adding amorphous GLB to HPMC-AS solution. HPMC-AS did not improve drug dissolution and/or solubility but efficiently inhibited drug crystallization from supersaturated drug solutions. Such an inhibiting effect led to the long-term maintenance of the amorphous state of GLB in HPMC-AS solution. NMR measurements showed that HPMC-AS suppressed the molecular mobility of CLT depending on their supersaturation level. Highly supersaturated CLT in HPMC-AS solution formed a gel-like structure with HPMC-AS in which the molecular mobility of the CLT was strongly suppressed. The gel-like structure of HPMC-AS could inhibit the reorganization from drug prenuclear aggregates to the crystal nuclei and delay the formation of drug crystals. The prolongation subsequently led to the redissolution of the aggregated drugs in aqueous solution and formed the equilibrium state at the supersaturated drug concentration in HPMC-AS solution. The equilibrium state formation of supersaturated drugs by HPMC-AS should be an essential mechanism underlying the marked drug concentration improvement. PMID:25723893
A numerical model of non-equilibrium thermal plasmas. I. Transport properties
Zhang XiaoNing; Xia WeiDong; Li HePing; Murphy, Anthony B.
2013-03-15
A self-consistent and complete numerical model for investigating the fundamental processes in a non-equilibrium thermal plasma system consists of the governing equations and the corresponding physical properties of the plasmas. In this paper, a new kinetic theory of the transport properties of two-temperature (2-T) plasmas, based on the solution of the Boltzmann equation using a modified Chapman-Enskog method, is presented. This work is motivated by the large discrepancies between the theories for the calculation of the transport properties of 2-T plasmas proposed by different authors in previous publications. In the present paper, the coupling between electrons and heavy species is taken into account, but reasonable simplifications are adopted, based on the physical fact that m{sub e}/m{sub h} Much-Less-Than 1, where m{sub e} and m{sub h} are, respectively, the masses of electrons and heavy species. A new set of formulas for the transport coefficients of 2-T plasmas is obtained. The new theory has important physical and practical advantages over previous approaches. In particular, the diffusion coefficients are complete and satisfy the mass conversation law due to the consideration of the coupling between electrons and heavy species. Moreover, this essential requirement is satisfied without increasing the complexity of the transport coefficient formulas. Expressions for the 2-T combined diffusion coefficients are obtained. The expressions for the transport coefficients can be reduced to the corresponding well-established expressions for plasmas in local thermodynamic equilibrium for the case in which the electron and heavy-species temperatures are equal.
Bian, Xin; Li, Zhen; Deng, Mingge; Karniadakis, George Em
2015-11-01
truncated side of the SDPD simulation. In the EBC buffer, the velocity of particles is drawn from a known Gaussian distribution, that is, the Maxwell-Boltzmann distribution. Due to the finite range of spatial correlation, the density of particles in the EBC buffer must be drawn from a conditional Gaussian distribution, which takes into account the available density distribution of neighboring interior particles. We introduce a Kriging method to provide such a conditional distribution and hence preserve the spatial correlation of density. Spatial and temporal correlations of SDPD simulations in the truncated domain are compared to that in a single complete domain. We find that a gap region between the buffer and interior is important to reduce the extra dissipation generated by the artificial buffer at equilibrium, rendering more investigations necessary for thermal fluctuations in the multiscale coupling of nonequilibrium flows. PMID:26651811
NASA Astrophysics Data System (ADS)
Bian, Xin; Li, Zhen; Deng, Mingge; Karniadakis, George Em
2015-11-01
truncated side of the SDPD simulation. In the EBC buffer, the velocity of particles is drawn from a known Gaussian distribution, that is, the Maxwell-Boltzmann distribution. Due to the finite range of spatial correlation, the density of particles in the EBC buffer must be drawn from a conditional Gaussian distribution, which takes into account the available density distribution of neighboring interior particles. We introduce a Kriging method to provide such a conditional distribution and hence preserve the spatial correlation of density. Spatial and temporal correlations of SDPD simulations in the truncated domain are compared to that in a single complete domain. We find that a gap region between the buffer and interior is important to reduce the extra dissipation generated by the artificial buffer at equilibrium, rendering more investigations necessary for thermal fluctuations in the multiscale coupling of nonequilibrium flows.
Thermal equilibrium properties of surface hopping with an implicit Langevin bath
Sherman, M. C.; Corcelli, S. A.
2015-01-14
The ability of fewest switches surface hopping (FSSH) approach, where the classical degrees of freedom are coupled to an implicit Langevin bath, to establish and maintain an appropriate thermal equilibrium was evaluated in the context of a three site model for electron transfer. The electron transfer model consisted of three coupled diabatic states that each depends harmonically on the collective bath coordinate. This results in three states with increasing energy in the adiabatic representation. The adiabatic populations and distributions of the collective solvent coordinate were monitored during the course of 250 ns FSSH-Langevin (FSSH-L) simulations performed at a broad range of temperatures and for three different nonadiabatic coupling strengths. The agreement between the FSSH-L simulations and numerically exact results for the adiabatic population ratios and solvent coordinate distributions was generally favorable. The FSSH-L method produces a correct Boltzmann distribution of the solvent coordinate on each of the adiabats, but the integrated populations are slightly incorrect because FSSH does not rigorously obey detailed balance. The overall agreement is better at high temperatures and for high nonadiabatic coupling, which agrees with a previously reported analytical and simulation analysis [J. R. Schmidt, P. V. Parandekar, and J. C. Tully, J. Chem. Phys. 129, 044104 (2008)] on a two-level system coupled to a classical bath.
Non-Thermal Equilibrium Atmospheric Pressure Glow-Like Discharge Plasma Jet
NASA Astrophysics Data System (ADS)
Chang, Zhengshi; Yao, Congwei; Zhang, Guanjun
2016-01-01
Non-thermal equilibrium atmospheric pressure plasma jet (APPJ) is a cold plasma source that promises various innovative applications, and the uniform APPJ is more favored. Glow discharge is one of the most effective methods to obtain the uniform discharge. Compared with the glow dielectric barrier discharge (DBD) in atmospheric pressure, pure helium APPJ shows partial characteristics of both the glow discharge and the streamer. In this paper, considering the influence of the Penning effect, the electrical and optical properties of He APPJ and Ar/NH3 APPJ were researched. A word “Glow-like APPJ” is used to characterize the uniformity of APPJ, and it was obtained that the basic characteristics of the glow-like APPJ are driven by the kHz AC high voltage. The results can provide a support for generating uniform APPJ, and lay a foundation for its applications. supported by National Natural Science Foundation of China (Nos. 51307133, 51125029, 51221005) and the Fundamental Research Funds for the Central Universities of China (Nos. xjj2012132, xkjc2013004)
NASA Astrophysics Data System (ADS)
Berezin, Y. A.; Trofimov, V. M.
1995-12-01
A critical review of hydrodynamical models with asymmetric stress tensor is given. Particular attention is focused on the balance law of angular momentum as the necessary element for a correct description of the internal motions of turbulent oriented eddies. On the basis of this analysis a non-equilibrium turbulence model is proposed that is shown to be close to the hydrodynamic equations with intrinsic rotation and helical turbulence. We employ this model in the study of the initial stage of thermal convection in a horizontal layer of a rotating non-equilibrium turbulent fluid that is heated from below. Linearizing the balance equations of mass, momentum, angular momentum and energy yields the boundary value problem, from which the general properties of the spectrum are determined. In the case of the horizontal layer with equilibrium boundary conditions on free boundaries we study the influence of the rotation and turbulent motion on the convective instability.
Non-equilibrium simulations of thermally induced electric fields in water
NASA Astrophysics Data System (ADS)
Wirnsberger, P.; Fijan, D.; Šarić, A.; Neumann, M.; Dellago, C.; Frenkel, D.
2016-06-01
Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated that water molecules align in response to an imposed temperature gradient, resulting in an effective electric field. Here, we investigate how thermally induced fields depend on the underlying treatment of long-ranged interactions. For the short-ranged Wolf method and Ewald summation, we find the peak strength of the field to range between 2 × 107 and 5 × 107 V/m for a temperature gradient of 5.2 K/Å. Our value for the Wolf method is therefore an order of magnitude lower than the literature value [J. A. Armstrong and F. Bresme, J. Chem. Phys. 139, 014504 (2013); J. Armstrong et al., J. Chem. Phys. 143, 036101 (2015)]. We show that this discrepancy can be traced back to the use of an incorrect kernel in the calculation of the electrostatic field. More seriously, we find that the Wolf method fails to predict correct molecular orientations, resulting in dipole densities with opposite sign to those computed using Ewald summation. By considering two different multipole expansions, we show that, for inhomogeneous polarisations, the quadrupole contribution can be significant and even outweigh the dipole contribution to the field. Finally, we propose a more accurate way of calculating the electrostatic potential and the field. In particular, we show that averaging the microscopic field analytically to obtain the macroscopic Maxwell field reduces the error bars by up to an order of magnitude. As a consequence, the simulation times required to reach a given statistical accuracy decrease by up to two orders of magnitude.
Non-equilibrium simulations of thermally induced electric fields in water.
Wirnsberger, P; Fijan, D; Šarić, A; Neumann, M; Dellago, C; Frenkel, D
2016-06-14
Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated that water molecules align in response to an imposed temperature gradient, resulting in an effective electric field. Here, we investigate how thermally induced fields depend on the underlying treatment of long-ranged interactions. For the short-ranged Wolf method and Ewald summation, we find the peak strength of the field to range between 2 × 10(7) and 5 × 10(7) V/m for a temperature gradient of 5.2 K/Å. Our value for the Wolf method is therefore an order of magnitude lower than the literature value [J. A. Armstrong and F. Bresme, J. Chem. Phys. 139, 014504 (2013); J. Armstrong et al., J. Chem. Phys. 143, 036101 (2015)]. We show that this discrepancy can be traced back to the use of an incorrect kernel in the calculation of the electrostatic field. More seriously, we find that the Wolf method fails to predict correct molecular orientations, resulting in dipole densities with opposite sign to those computed using Ewald summation. By considering two different multipole expansions, we show that, for inhomogeneous polarisations, the quadrupole contribution can be significant and even outweigh the dipole contribution to the field. Finally, we propose a more accurate way of calculating the electrostatic potential and the field. In particular, we show that averaging the microscopic field analytically to obtain the macroscopic Maxwell field reduces the error bars by up to an order of magnitude. As a consequence, the simulation times required to reach a given statistical accuracy decrease by up to two orders of magnitude. PMID:27305991
Shiraishi, Hiroyuki
2008-04-28
Numerical Analyses on Laser-Supported Plasma (LSP) have been performed for researching the mechanism of laser absorption occurring in the laser propulsion system. Above all, Laser-Supported Detonation (LSD), categorized as one type of LSP, is considered as one of the most important phenomena because it can generate high pressure and high temperature for performing highly effective propulsion. For simulating generation and propagation of LSD wave, I have performed thermal non-equilibrium analyses by Navier-stokes equations, using a CO{sub 2} gasdynamic laser into an inert gas, where the most important laser absorption mechanism for LSD propagation is Inverse Bremsstrahlung. As a numerical method, TVD scheme taken into account of real gas effects and thermal non-equilibrium effects by using a 2-temperature model, is applied. In this study, I analyze a LSD wave propagating through a conical nozzle, where an inner space of an actual laser propulsion system is simplified.
HOW DOES A SYSTEM RESPOND WHEN DRIVEN AWAY FROM THERMAL EQUILIBRIUM?
C. JARZYNSKI
2001-03-01
It is widely appreciated that our understanding of non-equilibrium phenomena has not kept pace with its equilibrium counterpart. In recent years, however, consideration of the above question, posed at the microscopic level of statistical mechanics, has yielded some intriguing theoretical results distinguished by two common features. First, they remain valid far from equilibrium, that is, even if the system is disturbed violently from its initial equilibrium state. Second, they incorporate information about the history of the system over some span of time: effectively, these are statistical predictions about what we would see if we could watch a movie of the system filmed at the atomic level, rather than predictions about individual snapshots. To date, this work has been theoretical, though supplemented with numerical simulations. However, in the current issue of PNAS, Hummer and Szabo [1] show how to combine these theoretical advances with single molecule manipulation experiments, so as to extract useful equilibrium information from non-equilibrium laboratory data. What these authors propose amounts to a novel method of deducing the equilibrium mechanical properties of individual molecules.
Zhang, Le; Luo, Feng; Xu, Ruina; Jiang, Peixue; Liu, Huihai
2014-12-31
The heat transfer and fluid transport of supercritical CO_{2} in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetric heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.
Gross, A; Levine, R D
2006-11-30
A cold atomic cluster can be very rapidly heated and compressed by a hypersonic impact at a hard surface. The impact can be simulated by computing a classical trajectory for the motion of the atoms. By suddenly confining the hot and dense cluster within a rigid container, it is possible to monitor the time evolution of the force acting on the faces of the container. It is found that the pressure computed this way very rapidly decays to a time-independent value. After a somewhat longer time, this value reproduces the value for the pressure computed as the sum of the kinetic and internal pressures. This agreement is expected for a system in equilibrium. These observations support the conclusion that there is a fast relaxation to thermal equilibrium in these essentially hard-sphere systems. The deviation from equilibrium is primarily due to the propagation of shock waves within the cluster. The equilibrium pressure can reach up to the megabar range. PMID:17125378
NASA Technical Reports Server (NTRS)
Drew, J. E.
1989-01-01
Ab initio ionization and thermal equilibrium models are calculated for the winds of O stars using the results of steady state radiation-driven wind theory to determine the input parameters. Self-consistent methods are used for the roles of H, He, and the most abundant heavy elements in both the statistical and the thermal equilibrium. The model grid was chosen to encompass all O spectral subtypes and the full range of luminosity classes. Results of earlier modeling of O star winds by Klein and Castor (1978) are reproduced and used to motivate improvements in the treatment of the hydrogen equilibrium. The wind temperature profile is revealed to be sensitive to gross changes in the heavy element abundances, but insensitive to other factors considered such as the mass-loss rate and velocity law. The reduced wind temperatures obtained in observing the luminosity dependence of the Si IV lambda 1397 wind absorption profile are shown to eliminate any prospect of explaining the observed O VI lambda 1036 line profiles in terms of time-independent radiation-driven wind theory.
NASA Astrophysics Data System (ADS)
Alaghemandi, Mohammad; Müller-Plathe, Florian; Böhm, Michael C.
2011-11-01
The thermal conductivity of composites of carbon nanotubes and polyamide-6,6 has been investigated using reverse non-equilibrium molecular dynamics simulations in a full atomistic resolution. It is found, in line with experiments, that the composites have thermal conductivities, which are only moderately larger than that of pure polyamide. The composite conductivities are orders of magnitude less than what would be expected from naïve additivity arguments. This means that the intrinsic thermal conductivities of isolated nanotubes, which exceed the best-conducting metals, cannot be harnessed for heat transport, when the nanotubes are embedded in a polymer matrix. The main reason is the high interfacial thermal resistance between the nanotubes and the polymer, which was calculated in addition to the total composite thermal conductivity as well as that of the subsystem. It hinders heat to be transferred from the slow-conducting polymer into the fast-conducting nanotubes and back into the polymer. This interpretation is in line with the majority of recent simulation works. An alternative explanation, namely, the damping of the long-wavelength phonons in nanotubes by the polymer matrix is not supported by the present calculations. These modes provide most of the polymers heat conduction. An additional minor effect is caused by the anisotropic structure of the polymer phase induced by the nearby nanotube surfaces. The thermal conductivity of the polymer matrix increases slightly in the direction parallel to the nanotubes, whereas it decreases perpendicular to it.
NASA Astrophysics Data System (ADS)
Celli, Michele; Barletta, Antonio; Storesletten, Leiv
2014-04-01
The effects of lack of local thermal equilibrium between the solid phase and the fluid phase are taken into account for the convective stability analysis of a horizontal porous layer. The layer is bounded by a pair of plane parallel walls which are impermeable and such that the lower wall is subject to a uniform flux heating, while the upper wall is isothermal. The local thermal non-equilibrium is modelled through a two-temperature formulation of the energy exchange between the phases, resulting in a pair of local energy balance equations: one for each phase. Small-amplitude disturbances of the basic rest state are envisaged to test the stability. Then, the standard normal mode procedure is adopted to detect the onset conditions of convective rolls. Beyond the Darcy-Rayleigh number, playing the role of order parameter for the transition to instability, the relevant dimensionless parameters are the inter-phase heat transfer parameter and the thermal conductivity ratio. The disturbance governing equations, formulated as an eigenvalue problem, are solved numerically by a shooting method. Results are reported for the neutral stability curves and for the critical values for the onset of instability.
NASA Astrophysics Data System (ADS)
Binder, Moritz; Barthel, Thomas
We compare matrix product purifications and minimally entangled typical thermal states (METTS) for the simulation of equilibrium states and finite-temperature response functions of strongly correlated quantum many-body systems. For METTS, we highlight the interplay of statistical and DMRG truncation errors, discuss the use of self-averaging effects, and describe schemes for the computation of response functions. We assess the computation costs and accuracies of the two methods for critical and gapped spin chains and the Bose-Hubbard model. For the same computation cost, purifications yield more accurate results than METTS except for temperatures well below the system's energy gap.
NASA Astrophysics Data System (ADS)
Binder, Moritz; Barthel, Thomas
We compare matrix product purifications and minimally entangled typical thermal states (METTS) for the simulation of equilibrium states and finite-temperature response functions of strongly correlated quantum many-body systems. For METTS, we highlight the interplay of statistical and DMRG truncation errors, discuss the use of self-averaging effects, and describe schemes for the computation of response functions. We assess the computation costs and accuracies of the two methods for critical and gapped spin chains and the Bose-Hubbard model. For the same computation cost, purifications yield more accurate results than METTS except for temperatures well below the system's energy gap. (Phys. Rev. B 92, 125119 (2015)
NASA Technical Reports Server (NTRS)
Defacio, B.; Vannevel, Alan; Brander, O.
1993-01-01
A formulation is given for a collection of phonons (sound) in a fluid at a non-zero temperature which uses the simple harmonic oscillator twice; one to give a stochastic thermal 'noise' process and the other which generates a coherent Glauber state of phonons. Simple thermodynamic observables are calculated and the acoustic two point function, 'contrast' is presented. The role of 'coherence' in an equilibrium system is clarified by these results and the simple harmonic oscillator is a key structure in both the formulation and the calculations.
NASA Astrophysics Data System (ADS)
Bruno, D.; Colonna, G.; Laricchiuta, A.; Capitelli, M.
2012-12-01
Internal and reactive contributions to the thermal conductivity of a local thermodynamic equilibrium nitrogen plasma have been calculated using the Chapman-Enskog method. Low-lying (LL) electronically excited states (i.e., states with the same principal quantum number of the ground state) and high-lying (HL) ones (i.e., states with principal quantum number n > 2) have been considered. Several models have been developed, the most accurate being a model that treats the LL states as separate species while disregarding the presence of HL states, on account of their enormous transport cross sections.
Bruno, D.; Colonna, G.; Laricchiuta, A.; Capitelli, M.
2012-12-15
Internal and reactive contributions to the thermal conductivity of a local thermodynamic equilibrium nitrogen plasma have been calculated using the Chapman-Enskog method. Low-lying (LL) electronically excited states (i.e., states with the same principal quantum number of the ground state) and high-lying (HL) ones (i.e., states with principal quantum number n> 2) have been considered. Several models have been developed, the most accurate being a model that treats the LL states as separate species while disregarding the presence of HL states, on account of their enormous transport cross sections.
Collins, David
2010-05-15
A general framework for regarding oracle-assisted quantum algorithms as tools for discriminating among unitary transformations is described. This framework is applied to the Deutsch-Jozsa problem and all possible quantum algorithms which solve the problem with certainty using oracle unitaries in a particular form are derived. It is also used to show that any quantum algorithm that solves the Deutsch-Jozsa problem starting with a quantum system in a particular class of initial, thermal equilibrium-based states of the type encountered in solution-state NMR can only succeed with greater probability than a classical algorithm when the problem size n exceeds {approx}10{sup 5}.
Counting of fermions and spins in strongly correlated systems in and out of thermal equilibrium
Braungardt, Sibylle; Rodriguez, Mirta; Glauber, Roy J.; Lewenstein, Maciej
2011-01-15
Atom counting theory can be used to study the role of thermal noise in quantum phase transitions and to monitor the dynamics of a quantum system. We illustrate this for a strongly correlated fermionic system, which is equivalent to an anisotropic quantum XY chain in a transverse field and can be realized with cold fermionic atoms in an optical lattice. We analyze the counting statistics across the phase diagram in the presence of thermal fluctuations and during its thermalization when the system is coupled to a heat bath. At zero temperature, the quantum phase transition is reflected in the cumulants of the counting distribution. We find that the signatures of the crossover remain visible at low temperature and are obscured with increasing thermal fluctuations. We find that the same quantities may be used to scan the dynamics during the thermalization of the system.
Some properties of correlations of quantum lattice systems in thermal equilibrium
Fröhlich, Jürg; Ueltschi, Daniel
2015-05-15
Simple proofs of uniqueness of the thermodynamic limit of KMS states and of the decay of equilibrium correlations are presented for a large class of quantum lattice systems at high temperatures. New quantum correlation inequalities for general Heisenberg models are described. Finally, a simplified derivation of a general result on power-law decay of correlations in 2D quantum lattice systems with continuous symmetries is given, extending results of McBryan and Spencer for the 2D classical XY model.
Lund, Steven M.; Friedman, Alex; Bazouin, Guillaume
2011-01-10
A one-dimensional Vlasov-Poisson model for sheet beams is reviewed and extended to provide a simple framework for analysis of space-charge effects. Centroid and rms envelope equations including image charge effects are derived and reasonable parameter equivalences with commonly employed 2D transverse models of unbunched beams are established. This sheet beam model is then applied to analyze several problems of fundamental interest. A sheet beam thermal equilibrium distribution in a continuous focusing channel is constructed and shown to have analogous properties to two- d three-dimensional thermal equilibrium models in terms of the equilibrium structure and Deybe screening properties. The simpler formulation for sheet beams is exploited to explicitly calculate the distribution of particle oscillation frequencies within a thermal equilibrium beam. It is shown that as space-charge intensity increases, the frequency distribution becomes broad, suggesting that beams with strong space-charge can have improved stability.
NASA Astrophysics Data System (ADS)
Khatami, Ehsan; Rigol, Marcos; Relaño, Armando; García-García, Antonio M.
2012-05-01
We study spectral properties and the dynamics after a quench of one-dimensional spinless fermions with short-range interactions and long-range random hopping. We show that a sufficiently fast decay of the hopping term promotes localization effects at finite temperature, which prevents thermalization even if the classical motion is chaotic. For slower decays, we find that thermalization does occur. However, within this model, the latter regime falls in an unexpected universality class, namely, observables exhibit a power-law (as opposed to an exponential) approach to their thermal expectation values.
NASA Astrophysics Data System (ADS)
Arzhanov, M. M.; Demchenko, P. F.; Eliseev, A. V.; Mokhov, I. I.
2008-10-01
The IAP RAS CM (Institute of Atmospheric Physics, Russian Academy of Sciences, climate model) has been extended to include a comprehensive scheme of thermal and hydrologic soil processes. In equilibrium numerical experiments with specified preindustrial and current concentrations of atmospheric carbon dioxide, the coupled model successfully reproduces thermal characteristics of soil, including the temperature of its surface, and seasonal thawing and freezing characteristics. On the whole, the model also reproduces soil hydrology, including the winter snow water equivalent and river runoff from large watersheds. Evapotranspiration from the soil surface and soil moisture are simulated somewhat worse. The equilibrium response of the model to a doubling of atmospheric carbon dioxide shows a considerable warming of the soil surface, a reduction in the extent of permanently frozen soils, and the general growth of evaporation from continents. River runoff increases at high latitudes and decreases in the subtropics. The results are in qualitative agreement with observational data for the 20th century and with climate model simulations for the 21st century.
Thermal denaturing of proteins: Equilibrium and transient studies using nonlinear infrared probes
NASA Astrophysics Data System (ADS)
Chung, H. S.; Khalil, M.; Smith, A. W.; Ganim, Z.; Tokmakoff, A.
Thermal unfolding of β-sheets in ribonuclease A and ubiquitin is revealed by disappearance of cross peaks in 2D IR spectra. Transient unfolding probed with vibrational echoes following a temperature jump reveals nanosecond to millisecond dynamics.
NASA Astrophysics Data System (ADS)
Singh, Gurpreet; Sharma, Rohit; Singh, Kuldip
2015-09-01
Thermodynamic properties (compressibility coefficient Z γ , specific heat at constant volume c v , adiabatic coefficient γ a , isentropic coefficient γ i s e n , and sound speed c s ) of non-local thermodynamic equilibrium hydrogen thermal plasma have been investigated for different values of pressure and non-equilibrium parameter θ (=Te/Th) in the electron temperature range from 6000 K to 60 000 K. In order to estimate the influence of pressure derivative of partition function on thermodynamic properties, two cases have been considered: (a) in which pressure derivative of partition function is taken into account in the expressions and (b) without pressure derivative of partition function in their expressions. Here, the case (b) represents expressions already available in literature. It has been observed that the temperature from which pressure derivative of partition function starts influencing a given thermodynamic property increases with increase of pressure and non-equilibrium parameter θ. Thermodynamic property in the case (a) is always greater than its value in the case (b) for compressibility coefficient and specific heat at constant volume, whereas for adiabatic coefficient, isentropic coefficient, and sound speed, its value in the case (a) is always less than its value in the case (b). For a given value of θ, the relationship of compressibility coefficient with degree of ionization depends upon pressure in the case (a), whereas it is independent of pressure in the case (b). Relative deviation between the two cases shows that the influence of pressure derivative of partition function is significantly large and increases with the augmentation of pressure and θ for compressibility coefficient, specific heat at constant volume, and adiabatic coefficient, whereas for isentropic coefficient and sound speed, it is marginal even at high values of pressure and non-equilibrium parameter θ.
NASA Astrophysics Data System (ADS)
Kim, Chang-Goo; Kim, Woong-Tae; Ostriker, Eve C.
2011-12-01
We use vertically resolved numerical hydrodynamic simulations to study star formation and the interstellar medium (ISM) in galactic disks. We focus on outer-disk regions where diffuse H I dominates, with gas surface densities Σ = 3-20 M⊙ pc-2 and star-plus-dark matter volume densities ρsd = 0.003-0.5 M⊙ pc-3. Star formation occurs in very dense, self-gravitating clouds that form by mergers of smaller cold cloudlets. Turbulence, driven by momentum feedback from supernova events, destroys bound clouds and puffs up the disk vertically. Time-dependent radiative heating (FUV from recent star formation) offsets gas cooling. We use our simulations to test a new theory for self-regulated star formation. Consistent with this theory, the disks evolve to a state of vertical dynamical equilibrium and thermal equilibrium with both warm and cold phases. The range of star formation surface densities and midplane thermal pressures is ΣSFR ∼ 10-4 to 10-2 M⊙ kpc-2 yr-1 and P th/k B ∼ 102 to 104 cm-3 K. In agreement with observations, turbulent velocity dispersions are ~7 km s-1 and the ratio of the total (effective) to thermal pressure is Ptot/Pth ∼ 4-5, across this whole range (provided shielding is similar to the solar neighborhood). We show that ΣSFR is not well correlated with Σ alone, but rather with Σ ρsd1/2, because the vertical gravity from stars and dark matter dominates in outer disks. We also find that ΣSFR has a strong, nearly linear correlation with Ptot, which itself is within ~13% of the dynamical equilibrium estimate Ptot, DE. The quantitative relationships we find between &SigmaSFR and the turbulent and thermal pressures show that star formation is highly efficient for energy and momentum production, in contrast to the low efficiency of mass consumption. Star formation rates adjust until the ISM's energy and momentum losses are replenished by feedback within a dynamical time.
Identifying Student Resources in Reasoning about Entropy and the Approach to Thermal Equilibrium
ERIC Educational Resources Information Center
Loverude, Michael
2015-01-01
As part of an ongoing project to examine student learning in upper-division courses in thermal and statistical physics, we have examined student reasoning about entropy and the second law of thermodynamics. We have examined reasoning in terms of heat transfer, entropy maximization, and statistical treatments of multiplicity and probability. In…
NASA Technical Reports Server (NTRS)
Lanyi, Gabor E.
2003-01-01
This viewgraph presentation reviews the 1901 work in Planck's constant and blackbody radiation law and the 1916 Einstein rederivation of the blackbody radiation law. It also reviews Wien's law. It also presents equations that demonstrate the thermal balance between radiation and matter.
NASA Astrophysics Data System (ADS)
Wiegel, Frederik W.; Perelson, Alan S.
1982-12-01
When placed in suspension red blood cells adhere face-to-face and form long, cylindrical, and sometimes branched structures called rouleaux. We use methods developed in statistical mechanics to compute various statistical properties describing the size and shape of rouleaux in thermodynamic equilibrium. This leads to analytical expressions for (1) the average number of rouleaux consisting of n cells and having m branch points; (2) the average number of cells per rouleau; (3) the average number of branch points per rouleau; and (4) the number of rouleaux with n cells in a system containing a total of N cells. We also derive asymptotic formulas that simplify these analytic expressions, and present numerical comparisons of the exact and asymptotic results.
Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium
NASA Technical Reports Server (NTRS)
Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter
2013-01-01
This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.
Aguirre-Loredo, Rocío Yaneli; Rodríguez-Hernández, Adriana Inés; Morales-Sánchez, Eduardo; Gómez-Aldapa, Carlos Alberto; Velazquez, Gonzalo
2016-04-01
Water molecules modify the properties of biodegradable films obtained from hydrophilic materials. Most studies dealing with thermal, mechanical and barrier properties of hydrophilic films are carried out under one relative humidity (RH) condition. The objective of this work was to evaluate the effect of the moisture content on the thermal, mechanical and barrier properties of chitosan films under several RH conditions. Microclimates, obtained with saturated salt solutions were used for conditioning samples and the properties of the films were evaluated under each RH condition. Chitosan films absorbed up to 40% of moisture at the higher RH studied. The percentage of elongation and the water vapour permeability increased while tensile strength, Young's modulus and glass transition temperature decreased, when the moisture content increased. The results suggest that the water molecules plasticized the polymer matrix, changing the properties when the films were in contact with high RH environments. PMID:26593528
Achievement of a low-outgassing white paint system for spacecraft thermal control
NASA Technical Reports Server (NTRS)
Seidenberg, B.; Park, J. J.; Clatterbuck, C.
1972-01-01
Test results and data for achieving a low-outgassing polymer resin suitable for potting or a paint pigment are presented. The resin, prepared in 0.5-kg (1-lb) batches, is acceptable for spacecraft use; its weight loss is less than 0.5 percent, and the volatile condensable materials are less than 0.05 percent. The paint adheres to a primed fiber glass or aluminum substrate. Results of UV irradiation, electron and proton radiation, and thermal cycling are presented.
Modeling the hot-dense plasma of the solar interior in and out of thermal equilibrium
NASA Astrophysics Data System (ADS)
Lin, Hsiao-Hsuan
within any solar model code. In the present work we have carried the technique of the MHD-based OPAL emulator to the CEFF-based OPAL emulator and successfully accomplished this goal. At the same time, we went beyond the earlier work by adding more terms. In particular, the previous MHD-based OPAL emulator was restricted to the approximation of a hydrogen plasma; our work is extended to the more realistic H-He mixture. In a separate part of the present work, we have examined a non-equilibrium effect in the solar interior. The effect is located in the zone of the sharp transition between the differential rotation in the convection zone and the solid-sphere rotation in the radiation zone beneath it. This transition was discovered by helioseismology in the 1980s, and the transition zone is called the solar tachocline. The tachocline is subject to strong shear and in many theories of the solar dynamo it plays important role. Being inspired by the well-known Soret effect, which states the mass diffusion drive by a temperature gradient, we have examined if there could also be mass diffusion by a shear flow. If such an effect were to exist, it would have potential applications to the solar tachocline and dynamo. We have run a so-called reverse non-equilibrium molecular dynamics (RNEMD) simulation. As a test, we first confirmed the Soret effect by the simulation, then we tested for a shear- driven analogous effect. As a result, we did not see the shear-driven Soret effect in our simulation. We do observe the normal Soret effect due to the temperature gradient caused by the numerical scheme we used.
Guidotti, R.A.
1986-06-10
A method is disclosed for preparing lithiated, particulate FeS/sub 2/ useful as a catholyte material in a lithium thermal battery, whereby the latter's voltage regulation properties are improved. The method comprises admixing FeS/sub 2/ and an amount of a lithium-containing compound, whereby the resultant total composition falls in an invariant region of the metallurgical phase diagram of its constituent components. Said lithium-containing compound and FeS/sub 2/ are admixed together with a solid electrolyte compatible with said catholyte, and the mixture is heated at a temperature above the melting point of said electrolyte and at which said mixture reaches its thermodynamic equilibrium number of phases.
Guidotti, Ronald A.
1988-01-01
In a method for preparing lithiated, particulate FeS.sub.2 useful as a catholyte material in a lithium thermal battery, whereby the latter's voltage regulation properties are improved, comprising admixing FeS.sub.2 and an amount of a lithium-containing compound whereby the resultant total composition falls in an invariant region of the metallurgical phase diagram of its constituent components, an improvement comprises admixing said lithium-containing compound and FeS.sub.2 together with a solid electrolyte compatible with said catholyte, and heating the mixture at a temperature above the melting point of said electrolyte and at which said mixture reaches its thermodynamic equilibrium number of phases.
NASA Astrophysics Data System (ADS)
Chen, Jiliang; Jiang, Fangming
2016-02-01
With a previously developed numerical model, we perform a detailed study of the heat extraction process in enhanced or engineered geothermal system (EGS). This model takes the EGS subsurface heat reservoir as an equivalent porous medium while it considers local thermal non-equilibrium between the rock matrix and the fluid flowing in the fractured rock mass. The application of local thermal non-equilibrium model highlights the temperature-difference heat exchange process occurring in EGS reservoirs, enabling a better understanding of the involved heat extraction process. The simulation results unravel the mechanism of preferential flow or short-circuit flow forming in homogeneously fractured reservoirs of different permeability values. EGS performance, e.g. production temperature and lifetime, is found to be tightly related to the flow pattern in the reservoir. Thermal compensation from rocks surrounding the reservoir contributes little heat to the heat transmission fluid if the operation time of an EGS is shorter than 15 years. We find as well the local thermal equilibrium model generally overestimates EGS performance and for an EGS with better heat exchange conditions in the heat reservoir, the heat extraction process acts more like the local thermal equilibrium process.
Could a plasma in quasi-thermal equilibrium be associated to the "orphan" TeV flares?
NASA Astrophysics Data System (ADS)
Fraija, N.
2015-12-01
TeV γ-ray detections in flaring states without activity in X-rays from blazars have attracted much attention due to the irregularity of these "orphan" flares. Although the synchrotron self-Compton model has been very successful in explaining the spectral energy distribution and spectral variability of these sources, it has not been able to describe these atypical flaring events. On the other hand, an electron-positron pair plasma at the base of the AGN jet was proposed as the mechanism of bulk acceleration of relativistic outflows. This plasma in quasi-thermal equilibrium called Wein fireball emits radiation at MeV-peak energies serving as target of accelerated protons. In this work we describe the "orphan" TeV flares presented in blazars 1ES 1959+650 and Mrk 421 assuming geometrical considerations in the jet and evoking the interactions of Fermi-accelerated protons and MeV-peak target photons coming from the Wein fireball. After describing successfully these "orphan" TeV flares, we correlate the TeV γ-ray, neutrino and UHECR fluxes through pγ interactions and calculate the number of high-energy neutrinos and UHECRs expected in IceCube/AMANDA and TA experiment, respectively. In addition, thermal MeV neutrinos produced mainly through electron-positron annihilation at the Wein fireball will be able to propagate through it. By considering two- (solar, atmospheric and accelerator parameters) and three-neutrino mixing, we study the resonant oscillations and estimate the neutrino flavor ratios as well as the number of thermal neutrinos expected on Earth.
Lee, Eungkyu; Zhang, Teng; Hu, Ming; Luo, Tengfei
2016-06-22
Interfacial thermal resistance presents great challenges to the thermal management of modern electronics. In this work, we perform an analytical study to enhance the thermal boundary conductance (TBC) of nanostructured interfaces with square-shape pillar arrays, extendable to the characteristic lengths that can be fabricated in practice. As a representative system, we investigate a SiC substrate with the square-shape pillar array combined with epitaxial GaN as the nanostructured interface. By applying a first-order ray tracing method and molecular dynamics simulations to analyze phonon incidence and transmission at the nanostructured interface, we systematically study the impact of the characteristic dimensions of the pillar array on the TBC. Based on the multi-scale analysis we provide a general guideline to optimize the nanostructured interfaces to achieve higher TBC, demonstrating that the optimized TBC value of the nanostructured SiC/GaN interfaces can be 42% higher than that of the planar SiC/GaN interfaces without nanostructures. The model used and results obtained in this study will guide the further experimental realization of nanostructured interfaces for better thermal management in microelectronics. PMID:27275647
NASA Astrophysics Data System (ADS)
Quigley, Mark Francis
Effective temperatures, gravities, and surface abundances are determined for five central stars of planetary nebulae (CSPN): NGC 6826, NGC 2392, IC 2149, IC 4593, and IC 418. These stellar parameters are obtained by reproducing high resolution International Ultraviolet Explorer (IUE) spectra (1200-1680A), using atmospheric models which assume conditions of non-local thermodynamic equilibrium. In a preliminary study, absorption features are identified for the standard white subdwarf stars BD+28 ^circ4211 and BD+75 ^circ325, and B0 main sequence standard star Tau Sco, which exhibit effective temperatures (T _{rm eff}) of 80,000K, 55,000K, and 30,000K, respectively. Using the atomic data tables of Kurucz, and those of Ekberg and Johansson, over 98% of the absorption features in high resolution IUE spectra (1150-1990A) are identified. Analysis of the identifications shows that the UV spectra of these stars, similar in temperature to CSPN, are dominated by iron and nickel. The results of a comparative study of the high resolution UV spectra (1150-1980A) spectra of fifteen CSPN (36,000K <= T_{ rm eff} <= 130,000K) are also presented. Measurement of the terminal velocities of the stellar wind P Cygni profiles exhibited by the resonance lines of N V (1240A), Si IV (1390, 1400A), and C IV (1550A) yields estimates of stellar mass and radius. A grid of plane parallel model atmospheres in hydrostatic and statistical equilibrium is calculated, using complete linearization/accelerated lambda iteration hybrid algorithms. The major constituents of the atmospheres, hydrogen, helium, carbon, nitrogen, and oxygen, are treated non-local thermal equilibrium. Using these models, the spectra of the five coolest CSPN are reproduced over the wavelength region 1200-1680A, thus yielding estimates of the effective temperature, gravity, and surface abundances. For each atomic species, the total opacity is calculated, using atmospheres of identical composition and constant luminosity. Analysis
Marsh, Herbert W; Pekrun, Reinhard; Lichtenfeld, Stephanie; Guo, Jiesi; Arens, A Katrin; Murayama, Kou
2016-08-01
Ever since the classic research of Nicholls (1976) and others, effort has been recognized as a double-edged sword: while it might enhance achievement, it undermines academic self-concept (ASC). However, there has not been a thorough evaluation of the longitudinal reciprocal effects of effort, ASC, and achievement, in the context of modern self-concept theory and statistical methodology. Nor have there been developmental equilibrium tests of whether these effects are consistent across the potentially volatile early-to-middle adolescence. Hence, focusing on mathematics, we evaluate reciprocal effects models (REMs) over the first 4 years of secondary school (grades 5-8), relating effort, achievement (test scores and school grades), ASC, and ASC × Effort interactions for a representative sample of 3,144 German students (Mage = 11.75 years at Wave 1). ASC, effort, and achievement were positively correlated at each wave, and there was a clear pattern of positive reciprocal positive effects among ASC, test scores, and school grades-each contributing to the other, after controlling for the prior effects of all others. There was an asymmetrical pattern of effects for effort that is consistent with the double-edged sword premise: prior school grades had positive effects on subsequent effort, but prior effort had nonsignificant or negative effects on subsequent grades and ASC. However, on the basis of a synergistic application of new theory and methodology, we predicted and found a significant ASC × Effort interaction, such that prior effort had more positive effects on subsequent ASC and school grades when prior ASC was high-thus providing a key to breaking the double-edged sword. (PsycINFO Database Record PMID:27455188
NASA Astrophysics Data System (ADS)
Binder, Moritz; Barthel, Thomas
2015-09-01
For the simulation of equilibrium states and finite-temperature response functions of strongly correlated quantum many-body systems, we compare the efficiencies of two different approaches in the framework of the density matrix renormalization group (DMRG). The first is based on matrix product purifications. The second, more recent one, is based on so-called minimally entangled typical thermal states (METTS). For the latter, we highlight the interplay of statistical and DMRG truncation errors, discuss the use of self-averaging effects, and describe schemes for the computation of response functions. For critical as well as gapped phases of the spin-1 /2 XXZ chain and the one-dimensional Bose-Hubbard model, we assess the computation costs and accuracies of the two methods at different temperatures. For almost all considered cases, we find that, for the same computation cost, purifications yield more accurate results than METTS—often by orders of magnitude. The METTS algorithm becomes more efficient only for temperatures well below the system's energy gap. The exponential growth of the computation cost in the evaluation of response functions limits the attainable time scales in both methods and we find that in this regard, METTS do not outperform purifications.
NASA Astrophysics Data System (ADS)
Ahmad, Zahoor
2009-08-01
Cascaded arc of Pilot-PSI is modeled using numerical simulation code PLASIMO [G. M. Janssen, Ph.D. thesis, Eindhoven University of Technology (2000), http://plasimo.phys.tue.nl]. Pilot-PSI is a linear device used to produce a high density plasma column for the study of plasma surface interaction processes. In this modeling effort nonlocal thermal equilibrium plasma of Ar-H2 mixture is used. The purpose of these simulations is to optimize the cascaded arc for a higher yield of H+ ions and to investigate the role of Ar-H2 mixture ratios. The associative charge exchange reaction followed by dissociative recombination plays a very important role in the dissociation of H2 molecules and as a consequence the yield of H+ increases and of Ar+ decreases. The Ar+ density also decreases in the arc when H2 concentration is increased beyond certain value. With a mixture of 2.5 standard liters per minute Ar and 0.5 SLM H2 the H+ ion flux exceeds the flux obtained in pure H2 gas, at a reduced expenditure of energy per ion.
Lucà-Moretti, M; Grandi, A; Lucà, E; Muratori, G; Nofroni, M G; Mucci, M P; Gambetta, P; Stimolo, R; Drago, P; Giudice, G; Tamburlin, N; Karbalai, M; Valente, C; Moras, G
2003-01-01
Results of this multicentric study have shown that by giving Master Amino acid Pattern (MAP) as a sole and total substitute of dietary proteins to 500 overweight participants undergoing the American Nutrition Clinics/Overweight Management Program (ANC/OMP), the participants' body nitrogen balance could be maintained in equilibrium with essentially no calories (MAP 1 g=0.04 kcal), thereby preserving the body's structural and functional proteins, eliminating excessive water retention from the interstitial compartment, and preventing the sudden weight increase after study conclusion commonly known as the yo-yo effect. Study results have shown that the use of MAP, in conjunction with the ANC/OMP regimen, has proven to be safe and effective by preventing those adverse effects associated with a negative nitrogen balance, such as oversized or flabby tissue, stretch marks, the sagging of breast tissue, increased hair loss, faded hair color, and fragile or brittle nails. Also prevented were those anomalies commonly associated with weight-loss diets, such as hunger, weakness, headache caused by ketosis, constipation, and decreased libido. The use of MAP in conjunction with the ANC/OMP also allowed for mean weight loss of 2.5 kg (5.5 lb) per week, achieved through reduction of excessive fat tissue and elimination of excessive water retention from the interstitial compartment. PMID:14964347
NASA Astrophysics Data System (ADS)
Salyk, C.; Pontoppidan, K. M.; Blake, G. A.; Najita, J. R.; Carr, J. S.
2011-04-01
We present an analysis of Spitzer Infrared Spectrograph observations of H2O, OH, HCN, C2H2, and CO2 emission, and Keck-NIRSPEC observations of CO emission, from a diverse sample of T Tauri and Herbig Ae/Be circumstellar disks. We find that detections and strengths of most mid-IR molecular emission features are correlated with each other, suggesting a common origin and similar excitation conditions for this mid-infrared line forest. Aside from the remarkable differences in molecular line strengths between T Tauri, Herbig Ae/Be, and transitional disks discussed in Pontoppidan et al., we note that the line detection efficiency is anti-correlated with the 13/30 μm spectral slope, which is a measure of the degree of grain settling in the disk atmosphere. We also note a correlation between detection efficiency and Hα equivalent width, and tentatively with accretion rate, suggesting that accretional heating contributes to line excitation. If detected, H2O line fluxes are correlated with the mid-IR continuum flux, and other co-varying system parameters, such as L sstarf. However, significant sample variation, especially in molecular line ratios, remains, and its origin has yet to be explained. Local thermal equilibrium (LTE) models of the H2O emission show that line strength is primarily related to the best-fit emitting area, and this accounts for most source-to-source variation in H2O emitted flux. Best-fit temperatures and column densities cover only a small range of parameter space, near ~1018 cm-2 and 450 K for all sources, suggesting a high abundance of H2O in many planet-forming regions. Other molecules have a range of excitation temperatures from ~500to1500 K, also consistent with an origin in planet-forming regions. We find molecular ratios relative to water of ~10-3 for all molecules, with the exception of CO, for which n(CO)/n(H2O) ~ 1. However, LTE fitting caveats and differences in the way thermo-chemical modeling results are reported make comparisons with
Salyk, C.; Pontoppidan, K. M.; Blake, G. A.; Najita, J. R.; Carr, J. S.
2011-04-20
We present an analysis of Spitzer Infrared Spectrograph observations of H{sub 2}O, OH, HCN, C{sub 2}H{sub 2}, and CO{sub 2} emission, and Keck-NIRSPEC observations of CO emission, from a diverse sample of T Tauri and Herbig Ae/Be circumstellar disks. We find that detections and strengths of most mid-IR molecular emission features are correlated with each other, suggesting a common origin and similar excitation conditions for this mid-infrared line forest. Aside from the remarkable differences in molecular line strengths between T Tauri, Herbig Ae/Be, and transitional disks discussed in Pontoppidan et al., we note that the line detection efficiency is anti-correlated with the 13/30 {mu}m spectral slope, which is a measure of the degree of grain settling in the disk atmosphere. We also note a correlation between detection efficiency and H{alpha} equivalent width, and tentatively with accretion rate, suggesting that accretional heating contributes to line excitation. If detected, H{sub 2}O line fluxes are correlated with the mid-IR continuum flux, and other co-varying system parameters, such as L{sub *}. However, significant sample variation, especially in molecular line ratios, remains, and its origin has yet to be explained. Local thermal equilibrium (LTE) models of the H{sub 2}O emission show that line strength is primarily related to the best-fit emitting area, and this accounts for most source-to-source variation in H{sub 2}O emitted flux. Best-fit temperatures and column densities cover only a small range of parameter space, near {approx}10{sup 18} cm{sup -2} and 450 K for all sources, suggesting a high abundance of H{sub 2}O in many planet-forming regions. Other molecules have a range of excitation temperatures from {approx}500to1500 K, also consistent with an origin in planet-forming regions. We find molecular ratios relative to water of {approx}10{sup -3} for all molecules, with the exception of CO, for which n(CO)/n(H{sub 2}O) {approx} 1. However, LTE
NASA Astrophysics Data System (ADS)
Nishino, Masamichi; Miyashita, Seiji
2015-04-01
It is crucially important to investigate the effects of temperature on magnetic properties such as critical phenomena, nucleation, pinning, domain wall motion, and coercivity. The Landau-Lifshitz-Gilbert (LLG) equation has been applied extensively to study dynamics of magnetic properties. Approaches of Langevin noises have been developed to introduce the temperature effect into the LLG equation. To have the thermal equilibrium state (canonical distribution) as the steady state, the system parameters must satisfy some condition known as the fluctuation-dissipation relation. In inhomogeneous magnetic systems in which spin magnitudes are different at sites, the condition requires that the ratio between the amplitude of the random noise and the damping parameter depend on the magnitude of the magnetic moment at each site. Focused on inhomogeneous magnetic systems, we systematically showed agreement between the stationary state of the stochastic LLG equation and the corresponding equilibrium state obtained by Monte Carlo simulations in various magnetic systems including dipole-dipole interactions. We demonstrated how violations of the condition result in deviations from the true equilibrium state. We also studied the characteristic features of the dynamics depending on the choice of the parameter set. All the parameter sets satisfying the condition realize the same stationary state (equilibrium state). In contrast, different choices of parameter set cause seriously different relaxation processes. We show two relaxation types, i.e., magnetization reversals with uniform rotation and with nucleation.
NASA Technical Reports Server (NTRS)
Ferrante, J.
1972-01-01
Equilibrium surface segregation of aluminum in a copper-10-atomic-percent-aluminum single crystal alloy oriented in the /111/ direction was demonstrated by using Auger electron spectroscopy. This crystal was in the solid solution range of composition. Equilibrium surface segregation was verified by observing that the aluminum surface concentration varied reversibly with temperature in the range 550 to 850 K. These results were curve fitted to an expression for equilibrium grain boundary segregation and gave a retrieval energy of 5780 J/mole (1380 cal/mole) and a maximum frozen-in surface coverage three times the bulk layer concentration. Analyses concerning the relative merits of sputtering calibration and the effects of evaporation are also included.
NASA Technical Reports Server (NTRS)
Massaglia, S.; Ferrari, A.; Bodo, G.; Kalkofen, W.; Rosner, R.
1985-01-01
The stability of current-driven filamentary modes in magnetic flux tubes embedded in a plane-parallel atmosphere in LTE and in hydrostatic equilibrium is discussed. Within the tube, energy transport by radiation only is considered. The dominant contribution to the opacity is due to H- ions and H atoms (in the Paschen continuum). A region in the parameter space of the equilibrium configuration in which the instability is effective is delimited, and the relevance of this process for the formation of structured coronae in late-type stars and accretion disks is discussed.
NASA Astrophysics Data System (ADS)
Tychkov, Nikolay; Agashev, Alexey; Malygina, Elena; Pokhilenko, Nikolay
2014-05-01
Integrated study of 250 peridotite xenoliths from Udachnaya -East pipe show difference in mineral paragenesises and textural-structural peculiarities in the different level of cratonic lithosphere mantle (CLM). The compositions of minerals were determined using EPMA. Thermobarometric parameters (Brey, Kohller, 1990) were determined for all rocks occupying different fields on geothermal curve. The deepest layer (the pressure interval of 5.0-7.0 GPa) contains mostly pophyroclastic lherzolites. Anyway, some rocks of this layer have an idiomorphic texture being also enriched in incompatible components. Higher in the CLM sequence, the interval (4.2-6.3 GPa) is composed of the most depleted rocks: megacristalline ultradepleted harzburgite-dunites and depleted granular harzburgite-dunites, as well as lherzolites in a subordinate amount. They correspond strate to 35 mW/m2 and partly overlap the deeper layer in dapth. It is likely that rocks of this layer are in equilibrium and were not subject to significant secondary changes due to kimberlite magma intrusion. Thus, this interval of the CLM sequence reflects the true (relic) geotherm for the area of the Udachnaya kimberlite pipe. Moreover, it is obvious that this interval was a major supplier of diamonds into kimberlites of the Udachnaya pipe. The interval of 4.2-2.0 GPa in the CLM sequence is also composed of coarse depleted lherzolites and harzburgites. Rocks of this interval are slightly more enriched than those of the underlying interval. This is confirmed by the distinct predominance of lherzolites over harzburgite-dunites. The heat flow in this layer varies in the range of 38-45 mW/m2 and shows a general tendency to increase with decreasing depth. According to occurrence of nonequilibrium mineral assemblages and increased heat flow relative to the major heat flow of 35 mW/m2, this interval is similar to the deepest interval of secondary enriched rocks. Interval of less than 2.0 GPa composed of spinel lherzolites and
NASA Astrophysics Data System (ADS)
Agarwal, Shilpi; Rana, Puneet
2016-04-01
In this paper, we examine a layer of Oldroyd-B nanofluid for linear and nonlinear regimes under local thermal non-equilibrium conditions for the classical Rayleigh-Bénard problem. The free-free boundary condition has been implemented with the flux for nanoparticle concentration being zero at edges. The Oberbeck-Boussinesq approximation holds good and for the rotational effect Coriolis term is included in the momentum equation. A two-temperature model explains the effect of local thermal non-equilibrium among the particle and fluid phases. The criteria for onset of stationary convection has been derived as a function of the non-dimensionalized parameters involved including the Taylor number. The assumed boundary conditions negate the possibility of overstability due to the absence of opposing forces responsible for it. The thermal Nusselt number has been obtained utilizing a weak nonlinear theory in terms of various pertinent parameters in the steady and transient mode, and has been depicted graphically. The main findings signify that the rotation has a stabilizing effect on the system. The stress relaxation parameter λ_1 inhibits whereas the strain retardation parameter λ_2 exhibits heat transfer utilizing Al2O3 nanofluids.
Yu, Xiaoli; Sun, Zheng; Huang, Rui; Zhang, Yu; Huang, Yuqi
2015-01-01
Thermal effects such as conduction, convection and viscous dissipation are important to lubrication performance, and they vary with the friction conditions. These variations have caused some inconsistencies in the conclusions of different researchers regarding the relative contributions of these thermal effects. To reveal the relationship between the contributions of the thermal effects and the friction conditions, a steady-state THD analysis model was presented. The results indicate that the contribution of each thermal effect sharply varies with the Reynolds number and temperature. Convective effect could be dominant under certain conditions. Additionally, the accuracy of some simplified methods of thermo-hydrodynamic analysis is further discussed. PMID:26244665
NASA Astrophysics Data System (ADS)
Izzo, Dario; Petazzi, Lorenzo
2006-08-01
We present a satellite path planning technique able to make identical spacecraft aquire a given configuration. The technique exploits a behaviour-based approach to achieve an autonomous and distributed control over the relative geometry making use of limited sensorial information. A desired velocity is defined for each satellite as a sum of different contributions coming from generic high level behaviours: forcing the final desired configuration the behaviours are further defined by an inverse dynamic calculation dubbed Equilibrium Shaping. We show how considering only three different kind of behaviours it is possible to acquire a number of interesting formations and we set down the theoretical framework to find the entire set. We find that allowing a limited amount of communication the technique may be used also to form complex lattice structures. Several control feedbacks able to track the desired velocities are introduced and discussed. Our results suggest that sliding mode control is particularly appropriate in connection with the developed technique.
NASA Astrophysics Data System (ADS)
Birrer, Marcel; Stemmer, Christian; Adams, Nikolaus N.
2011-05-01
Investigations of hypersonic boundary-layer flows around a cubical obstacle with a height in the order of half the boundary layer thickness were carried out in this work. Special interest was laid on the influence of chemical non-equilibrium effects on the wake flow of the obstacle. Direct numerical simulations were conducted using three different gas models, a caloric perfect, an equilibrium and a chemical non-equilibrium gas model. The geometry was chosen as a wedge with a six degree half angle, according to the aborted NASA HyBoLT free flight experiment. At 0.5 m downstream of the leading edge, a surface trip was positioned. The free-stream flow was set to Mach 8.5 with air conditions taken from the 1976 standard atmosphere at an altitude of 42 km according to the predicted flight path. The simulations were done in three steps for all models. First, two-dimensional calculations of the whole configuration including the leading edge and the obstacle were conducted. These provide constant span-wise profiles for detailed, steady three-dimensional simulations around the close vicinity of the obstacle. A free-stream Mach number of about 6.3 occurs behind the shock. A cross-section in the wake of the object then delivers the steady inflow for detailed unsteady simulations of the wake. Perturbations at unstable frequencies, obtained from a bi-global secondary stability analysis, were added to these profiles. The solutions are time-Fourier transformed to investigate the unsteady downstream development of the different modes due to the interaction with the base-flow containing two counter-rotating vortices. Results will be presented that show the influence of the presence of chemical non-equilibrium on the instability in the wake of the object leading to a laminar or a turbulent wake.
NASA Astrophysics Data System (ADS)
Wang, Yu-Wei; Tesdahl, Curtis; Owens, Jim; Dorn, David
2012-06-01
Advancements in uncooled microbolometer technology over the last several years have opened up many commercial applications which had been previously cost prohibitive. Thermal technology is no longer limited to the military and government market segments. One type of thermal sensor with low NETD which is available in the commercial market segment is the uncooled amorphous silicon (α-Si) microbolometer image sensor. Typical thermal security cameras focus on providing the best image quality by auto tonemaping (contrast enhancing) the image, which provides the best contrast depending on the temperature range of the scene. While this may provide enough information to detect objects and activities, there are further benefits of being able to estimate the actual object temperatures in a scene. This thermographic ability can provide functionality beyond typical security cameras by being able to monitor processes. Example applications of thermography[2] with thermal camera include: monitoring electrical circuits, industrial machinery, building thermal leaks, oil/gas pipelines, power substations, etc...[3][5] This paper discusses the methodology of estimating object temperatures by characterizing/calibrating different components inside a thermal camera utilizing an uncooled amorphous silicon microbolometer image sensor. Plots of system performance across camera operating temperatures will be shown.
ArF processing of 90-nm design rule lithography achieved through enhanced thermal processing
NASA Astrophysics Data System (ADS)
Kagerer, Markus; Miller, Daniel; Chang, Wayne; Williams, Daniel J.
2006-03-01
As the lithography community has moved to ArF processing on 300 mm wafers for 90 nm design rules the process characterization of the components of variance continues to highlight the thermal requirements for the post exposure bake (PEB) processing step. In particular as the thermal systems have become increasingly uniform, the transient behavior of the thermal processing system has received the focus of attention. This paper demonstrates how a newly designed and patented thermal processing system was optimized for delivering improved thermal uniformity during a typical 90 second PEB processing cycle, rather than being optimized for steady state performance. This was accomplished with the aid of a wireless temperature measurement wafer system for obtaining real time temperature data and by using a response surface model (RSM) experimental design for optimizing parameters of the temperature controller of the thermal processing system. The new units were field retrofitted seamlessly in <2 days at customer sites without disruption to process recipes or flows. After evaluating certain resist parameters such as PEB temperature sensitivity and post exposure delay (PED) - stability of the baseline process, the new units were benchmarked against the previous PEB plates by processing a split lot experiment. Additional hardware characterization included environmental factors such as air velocity in the vicinity of the PEB plates and transient time between PEB and chill plate. At the completion of the optimization process, the within wafer CD uniformity displayed a significant improvement when compared to the previous hardware. The demonstrated within wafer CD uniformity improved by 27% compared to the initial hardware and baseline process. ITRS requirements for the 90 nm node were exceeded.
Baldwin, Christopher L; Bigelow, Nicholas W; Masiello, David J
2014-04-17
A consequence of thermal diffusion is that heat, even when applied to a localized region of space, has the tendency to produce a temperature change that is spatially uniform throughout a material with a thermal conductivity that is much larger than that of its environment. This implies that the degree of spatial correlation between the heat power supplied and the temperature change that it induces is likely to be small. Here, we show, via theory and simulation, that through a Fano interference, temperature changes can be both localized and controllably directed within certain plasmon-supporting metal nanoparticle assemblies. This occurs even when all particles are composed of the same material and contained within the same diffraction-limited spot. These anomalous thermal properties are compared and contrasted across three different nanosystems, the coupled nanorod-antenna, the heterorod dimer, and the nanocube on a substrate, known to support both spatial and spectral Fano interferences. We conclude that the presence of a Fano resonance is not sufficient by itself to induce a controllably nanolocalized temperature change. However, when present in a nanosystem of the right composition and morphology, temperature changes can be manipulated with nanoscale precision, despite thermal diffusion. PMID:26269978
Teeter, G.
2007-01-01
In this study, polycrystalline Cu-foil substrates are exposed to elemental Te vapor at substrate temperatures below 373 K. Auger electron spectroscopy measurements indicate that copper-telluride films are formed at the substrate surface that have a 2:1 Cu-to-Te ratio, as predicted by the Cu--Te phase diagram. When these films are annealed above about 700 K in vacuum, Te desorbs from the substrate with zero-order kinetics. An analysis of Te-desorption traces that assumes the reaction Cu{sub 2}Te(s) {yields} 2Cu(s) + {alpha}Te(?) + 1/2(1 - {alpha})Te2({nu}) finds a thermal-decomposition activation energy of 217 {+-} 3 kJ mol{sup -1}. These Te-desorption data are compared to the Te impingement rate calculated from Cu{sub 2}Te equilibrium vapor-pressure data from the literature and found to be in excellent agreement.
An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium
NASA Technical Reports Server (NTRS)
Eppard, W. M.; Grossman, B.
1993-01-01
We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.
NASA Astrophysics Data System (ADS)
Feldman, Michal; Tennenholtz, Moshe
We introduce partition equilibrium and study its existence in resource selection games (RSG). In partition equilibrium the agents are partitioned into coalitions, and only deviations by the prescribed coalitions are considered. This is in difference to the classical concept of strong equilibrium according to which any subset of the agents may deviate. In resource selection games, each agent selects a resource from a set of resources, and its payoff is an increasing (or non-decreasing) function of the number of agents selecting its resource. While it has been shown that strong equilibrium exists in resource selection games, these games do not possess super-strong equilibrium, in which a fruitful deviation benefits at least one deviator without hurting any other deviator, even in the case of two identical resources with increasing cost functions. Similarly, strong equilibrium does not exist for that restricted two identical resources setting when the game is played repeatedly. We prove that for any given partition there exists a super-strong equilibrium for resource selection games of identical resources with increasing cost functions; we also show similar existence results for a variety of other classes of resource selection games. For the case of repeated games we identify partitions that guarantee the existence of strong equilibrium. Together, our work introduces a natural concept, which turns out to lead to positive and applicable results in one of the basic domains studied in the literature.
NASA Astrophysics Data System (ADS)
Gelet, R.; Loret, B.; Khalili, N.
2012-07-01
The constitutive thermo-hydro-mechanical equations of fractured media are embodied in the theory of mixtures applied to three-phase poroelastic media. The solid skeleton contains two distinct cavities filled with the same fluid. Each of the three phases is endowed with its own temperature. The constitutive relations governing the thermomechanical behavior, generalized diffusion and transfer are structured by, and satisfy, the dissipation inequality. The cavities exchange both mass and energy. Mass exchanges are driven by the jump in scaled chemical potential, and energy exchanges by the jump in coldness. The finite element approximation uses the displacement vector, the two fluid pressures and the three temperatures as primary variables. It is used to analyze a generic hot dry rock geothermal reservoir. Three parameters of the model are calibrated from the thermal outputs of Fenton Hill and Rosemanowes HDR reservoirs. The calibrated model is next applied to simulate circulation tests at the Fenton Hill HDR reservoir. The finer thermo-hydro-mechanical response provided by the dual porosity model with respect to a single porosity model is highlighted in a parameter analysis. Emphasis is put on the influence of the fracture spacing, on the effective stress response and on the permeation of the fluid into the porous blocks. The dual porosity model yields a thermally induced effective stress that is less tensile compared with the single porosity response. This effect becomes significant for large fracture spacings. In agreement with field data, fluid loss is observed to be high initially and to decrease with time.
NASA Astrophysics Data System (ADS)
Moreno, Paola
Buildings, especially in hot climates, consume a lot of energy when people want to be comfortable inside them, which translates to very expensive fees each month. The most innovative response to this problem is renewable energy, that is used, in this case, to run mechanical HVAC systems. Renewable energy is the solution for many problems, but to avoid urban heat islands when using excessive HVAC systems (powered by renewables), and to solve thermal comfort-related problems, there has to be other solution. The major challenge to find it would be to have a change of thinking process. If a building in a hot-arid region uses natural processes to emulate the functions of HVAC systems, and the proper passive strategies, then, it will provide thermal comfort to its users, diminishing the need of a mechanical system. This hypothesis will be carried out by extracting the natural processes found in a specific case in nature, applying them into a building's design, and then simulating its energy efficiency with the adequate software. There will be a comparison of the same proposed building without the natural processes, to have tangible numbers showing that these proposed strategies, in fact, work. With explanatory detailed diagrams and the energy analysis, the hypothesis could be proven correct or incorrect. The significance of this approach relies on the proximity to the natural processes that have been working in different aspects of life since the beginning of time. They have been there all the time, waiting until architects, engineers, and people in general use them, instead of making more new energy-using inventions. By having the numbers from a conventional building and the ones of the proposed building, and the right environmental diagrams, the experiment should be valid. In the near future, there should be more research focused on nature and its processes, in order to be able to reduce the use of mechanical systems, and with that, reduce the energy use and the carbon
Lucà-Moretti, M; Grandi, A; Lucà, E; Muratori, G; Nofroni, M G; Mucci, M P; Gambetta, P; Stimolo, R; Drago, P; Giudice, G; Tamburlin, N
2003-01-01
Results of this multicentric study have shown that by giving 10 g (10 tablets) of Master Amino acid Pattern (MAP) as a substitute for dietary proteins, once a day, to 114 overweight participants undergoing the American Nutrition Clinics/Overweight Management Program (ANC/OMP), the participants' nitrogen balance could be maintained in equilibrium with essentially no calories (MAP 1 g=0.04 kcal), thereby preserving the body's structural and functional proteins, eliminating excessive water retention from the interstitial compartment, and preventing the sudden weight increase after study conclusion commonly known as the yo-yo effect. Study results have shown that the use of MAP, in conjunction with the ANC/OMP, has proven to be safe and effective by preventing those adverse effects associated with a negative nitrogen balance, such as oversized or flabby tissue, stretch marks, sagging of breast tissue, increased hair loss, faded hair color, and fragile or brittle nails. Also preventing those anomalies commonly associated with weight-loss diets, such as hunger, weakness, headache caused by ketosis, constipation, or decreased libido, the use of MAP, in conjunction with the ANC/OMP, allowed for mean weight loss of 1.4 kg (3 lb) per week. PMID:14964348
Yoshikawa, S.
1981-08-01
A straight, helical plasma equilibrium equation is solved numerically for a plasma with a helical magnetic axis. As is expected, by a suitable choice of the plasma boundary, the vacuum configuration is made line ..integral.. dl/B stable. As the plasma pressure increases, the line ..integral.. dl/B criterion will improve (again as expected). There is apparently no limit on the plasma ..beta.. from the equilibrium consideration. Thus helical-axis stellarator ..beta.. will presumably be limited by MHD stability ..beta.., and not by equilibrium ..beta...
Narra, Sudhakar; Shigeto, Shinsuke
2015-03-01
Low-lying excited triplet states of aromatic carbonyl compounds exhibit diverse photophysical and photochemical properties of fundamental importance. Despite tremendous effort in studying those triplet states, the effects of substituents and solvents on the energetics of the triplet manifold and on photoreactivity remain to be fully understood. We have recently studied the ordering of the low-lying nπ* and ππ* excited triplet states and its substituent dependence in acetophenone derivatives using nanosecond time-resolved near-IR (NIR) spectroscopy. Here we address the other important issue, the solvent effects, by directly observing the electronic bands in the NIR that originate from the lowest nπ* and ππ* states of acetophenone derivatives in four solvents of different polarity (n-heptane, benzene, acetonitrile, and methanol). The two transient NIR bands decay synchronously in all the solvents, indicating that the lowest nπ* and ππ* states are in thermal equilibrium irrespective of the solvent polarity studied here. We found that the ππ* band increases in intensity relative to the nπ* band as solvent polarity increases. These results are compared with the photoreduction rate constant for the acetophenone derivatives in the solvents to which 2-propanol was added as a hydrogen-atom donor. Based on the present findings, we present a comprehensive, solvent- and substituent-dependent energy level diagram of the low-lying nπ* and ππ* excited triplet states. PMID:25686256
NASA Astrophysics Data System (ADS)
Abourabia, Aly Maher; Wahid, Taha Zakaraia Abdel
2011-05-01
A new approach for studying the influence of a thermal radiation field upon a rarefied neutral gas is introduced. We insert the radiation field effect in the force term of the Boltzmann equation. In a frame co-moving with the fluid, the BGK (Bhatnager-Gross-Krook) model kinetic equation is applied analytically. The one-dimensional steady problem is studied using the Liu-Lees model. We apply the moment method to follow the behavior of the macroscopic properties of the gas, such as the temperature and concentration. They are substituted into the corresponding two-stream Maxwellian distribution functions, permitting the investigation of the non-equilibrium thermodynamic properties of the system (gas + heated plate). The entropy, entropy flux, entropy production, thermodynamic forces and the kinetic coefficients are obtained. We verify the celebrated Onsager reciprocity relations for the system. The ratios between the different contributions of the internal energy changes based upon the total derivatives of the extensive parameters are estimated via the Gibbs formula. The results are applied to the Helium gas for various radiation field intensities due to different plate temperatures. Figures illustrating the calculated variables are drawn to predict their behavior and the results are discussed.
Kumar, Venkatraman Ravi; Rajkumar, Nagappan; Ariese, Freek; Umapathy, Siva
2015-10-01
The photochemistry of aromatic ketones plays a key role in various physicochemical and biological processes, and solvent polarity can be used to tune their triplet state properties. Therefore, a comprehensive analysis of the conformational structure and the solvent polarity induced energy level reordering of the two lowest triplet states of 9,10-phenanthrenequinone (PQ) was carried out using nanosecond-time-resolved absorption (ns-TRA), time-resolved resonance Raman (TR(3)) spectroscopy, and time dependent-density functional theory (TD-DFT) studies. The ns-TRA of PQ in acetonitrile displays two bands in the visible range, and these two bands decay with similar lifetime at least at longer time scales (μs). Interestingly, TR(3) spectra of these two bands indicate that the kinetics are different at shorter time scales (ns), while at longer time scales they followed the kinetics of ns-TRA spectra. Therefore, we report a real-time observation of the thermal equilibrium between the two lowest triplet excited states of PQ, assigned to nπ* and ππ* of which the ππ* triplet state is formed first through intersystem crossing. Despite the fact that these two states are energetically close and have a similar conformational structure supported by TD-DFT studies, the slow internal conversion (∼2 ns) between the T(2)(1(3)nπ*) and T(1)(1(3)ππ*) triplet states indicates a barrier. Insights from the singlet excited states of PQ in protic solvents [ J. Chem. Phys. 2015 , 142 , 24305 ] suggest that the lowest nπ* and ππ* triplet states should undergo hydrogen bond weakening and strengthening, respectively, relative to the ground state, and these mechanisms are substantiated by TD-DFT calculations. We also hypothesize that the different hydrogen bonding mechanisms exhibited by the two lowest singlet and triplet excited states of PQ could influence its ISC mechanism. PMID:26381591
Rauscher, Emily; Showman, Adam P.
2014-04-01
As a planet ages, it cools and its radius shrinks at a rate set by the efficiency with which heat is transported from the interior out to space. The bottleneck for this transport is at the boundary between the convective interior and the radiative atmosphere; the opacity there sets the global cooling rate. Models of planetary evolution are often one dimensional (1D), such that the radiative-convective boundary (RCB) is defined by a single temperature, pressure, and opacity. In reality the spatially inhomogeneous stellar heating pattern and circulation in the atmosphere could deform the RCB, allowing heat from the interior to escape more efficiently through regions with lower opacity. We present an analysis of the degree to which the RCB could be deformed and the resultant change in the evolutionary cooling rate. In this initial work we calculate the upper limit for this effect by comparing an atmospheric structure in local radiative equilibrium to its 1D equivalent. We find that the cooling through an uneven RCB could be enhanced over cooling through a uniform RCB by as much as 10%-50%. We also show that the deformation of the RCB (and the enhancement of the cooling rate) increases with a greater incident stellar flux or a lower inner entropy. Our results indicate that this mechanism could significantly change a planet's thermal evolution, causing it to cool and shrink more quickly than would otherwise be expected. This may exacerbate the well-known difficulty in explaining the very large radii observed for some hot Jupiters.
NASA Astrophysics Data System (ADS)
Guzella, Matheus dos Santos; Cabezas-Gómez, Luben; da Silva, José Antônio; Maia, Cristiana Brasil; Hanriot, Sérgio de Morais
2016-02-01
This study presents a numerical evaluation of the influence of some void fraction correlations over the thermal-hydraulic behavior of wire-on-tube condensers operating with HFC-134a. The numerical model is based on finite volume method considering the homogeneous equilibrium model. Empirical correlations are applied to provide closure relations. Results show that the choice of void fraction correlation influences the refrigerant charge and pressure drop calculations, while no influences the heat transfer rate.
Zeroth Law, Entropy, Equilibrium, and All That
ERIC Educational Resources Information Center
Canagaratna, Sebastian G.
2008-01-01
The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the…
Wang, Shipan; Zhang, Yuewei; Chen, Weiping; Wei, Jinbei; Liu, Yu; Wang, Yue
2015-08-01
Achieving high power efficiencies at high-brightness levels is still an important issue for organic light-emitting diodes (OLEDs) based on the thermally activated delayed fluorescence (TADF) mechanism. Herein, enhanced electroluminescence efficiencies were achieved in fluorescent OLEDs using a TADF molecule, (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile (4CzIPN), as a host and quinacridone derivatives (QA) as fluorescent dopants. PMID:26120606
NASA Astrophysics Data System (ADS)
Beck, C.; Rezaei, R.; Puschmann, K. G.
2013-01-01
Context. The Ca II H line is one of the strongest lines in the solar spectrum, and it provides continuous information on the solar atmosphere from the photosphere to the lower chromosphere. Aims: We describe an inversion approach that reproduces observed Ca II H spectra by assuming local thermal equilibrium (LTE). Methods: We developed an inversion strategy based on the SIR code that reproduces Ca II H spectra in the LTE approximation. The approach uses a two-step procedure with an archive of pre-calculated spectra to fit the line core and a subsequent iterative modification to improve the fit mainly in the line wing. Simultaneous spectra in the 630 nm range can optionally be used to fix the continuum temperature. The method retrieves one-dimensional (1D) temperature stratifications while neglecting lateral radiative transport. Line-of-sight velocities are included post facto with an empirical approach. Results: An archive of about 300 000 pre-calculated spectra is more than sufficient to reproduce the line core of observed Ca II H spectra both in the quiet Sun and in active regions. The subsequent iterative adjustment of the thermodynamical stratification matches observed and best-fit spectra to a level of about 0.5% of Ic in the line wing and about 1% of Ic in the line core. Conclusions: The successful application of the LTE inversion strategy suggests that inversion schemes based on pre-calculated spectra allow a reliable and relatively fast retrieval of solar properties from observed chromospheric spectra. The approach can be easily extended to a 1D non-LTE (NLTE) case by a simple exchange of the pre-calculated archive spectra. Using synthetic NLTE spectra from numerical three-dimensional (3D) simulations instead will finally allow one to extend the approach from the static 1D-case to dynamical atmosphere models, including the complete 3D radiative transport. The animation is available in electronic form at http://www.aanda.org
Tuning universality far from equilibrium
Karl, Markus; Nowak, Boris; Gasenzer, Thomas
2013-01-01
Possible universal dynamics of a many-body system far from thermal equilibrium are explored. A focus is set on meta-stable non-thermal states exhibiting critical properties such as self-similarity and independence of the details of how the respective state has been reached. It is proposed that universal dynamics far from equilibrium can be tuned to exhibit a dynamical transition where these critical properties change qualitatively. This is demonstrated for the case of a superfluid two-component Bose gas exhibiting different types of long-lived but non-thermal critical order. Scaling exponents controlled by the ratio of experimentally tuneable coupling parameters offer themselves as natural smoking guns. The results shed light on the wealth of universal phenomena expected to exist in the far-from-equilibrium realm. PMID:23928853
Phonon Mapping in Flowing Equilibrium
NASA Astrophysics Data System (ADS)
Ruff, J. P. C.
2015-03-01
When a material conducts heat, a modification of the phonon population occurs. The equilibrium Bose-Einstein distribution is perturbed towards flowing-equilibrium, for which the distribution function is not analytically known. Here I argue that the altered phonon population can be efficiently mapped over broad regions of reciprocal space, via diffuse x-ray scattering or time-of-flight neutron scattering, while a thermal gradient is applied across a single crystal sample. When compared to traditional transport measurements, this technique offers a superior, information-rich new perspective on lattice thermal conductivity, wherein the band and momentum dependences of the phonon thermal current are directly resolved. The proposed method is benchmarked using x-ray thermal diffuse scattering measurements of single crystal diamond under transport conditions. CHESS is supported by the NSF & NIH/NIGMS via NSF Award DMR-1332208.
NASA Astrophysics Data System (ADS)
Wei, Yong; Xu, Shan; Huang, Chenghui; Chen, Weidong; Zhuang, Fengjiang; Huang, Lingxiong; Chen, Zhenqiang; Zhang, Ge
2012-09-01
The negative and positive thermal focal lengths for 1047 nm and 1053 nm were respectively demonstrated through analyzing different thermal lensing effects along the π- and σ-polarizations in a plane-parallel resonator. A compact and efficient diode-end-pumped 1053 nm Nd:YLF polarized laser is presented. As high as 11.2 W output power of the polarized 1053 nm laser has been obtained at an absorbed pump power of 22.3 W with an optical-optical efficiency of 50% and a slope efficiency of 53%. With the aid of a ray propagation matrix and a λ/4 wave plate, different thermal lensing effects for the π- and σ-polarizations have been theoretically analyzed and experimentally verified.
NASA Astrophysics Data System (ADS)
Wolff, Andrzej
2010-01-01
The temperature of a brake friction surface influences significantly the braking effectiveness. The paper describes a heat transfer process in car brakes. Using a developed program of finite element method, the temperature distributions in brake rotors (disc and drum brake) of a light truck have been calculated. As a preliminary consistency criterion of the brake thermal state in road and roll-stand braking conditions, a balance of the energy cumulated in the brake rotor has been taken into account. As the most reliable consistency criterion an equality of average temperatures of the friction surface has been assumed. The presented method allows to achieve on a roll-stand the analogical thermal states of automotive brakes, which are observed during braking in road conditions. Basing on this method, it is possible to calculate the braking time and force for a high-speed roll-stand. In contrast to the previous papers of the author, new calculation results have been presented.
NASA Astrophysics Data System (ADS)
Klepikova, Maria V.; Le Borgne, Tanguy; Bour, Olivier; Hochreutener, Rebecca; Lavenant, Nicolas
2015-04-01
The prediction of transport patterns in fractured media is a challenging task. Different transport mechanisms are generally contributing: dispersion at fracture scale related to aperture variability, dispersion at network scale due to transport in different flowpaths and matrix diffusion. It is however difficult to know which mechanism is dominant. In this study we test the interest of heat tracer tests for providing new constraints on transport in fractured media by interpreting three push-pull tests of different duration. A series of heat and solute push-pull tracer test with Dirac-type injection was conducted in fractured aquifer of Ploemeur, France. The comparison of solute and heat breakthrough curves shows that due to thermal loss to the rock matrix temperature recovery peak arrives earlier than concentration peak. Moreover, the peak is significantly smaller for temperature recovery while it exhibits a longest tailing. Finally, we found that the recovered peak temperature decreases with scale and has a power law slope of -1 on a log-log plot. By means of flow and heat numerical model, we investigate the relevance of different conceptual models: single 'plate', 'tube' and 'ellipse' homogeneous fracture models at different scales. For all tested fracture geometries temperature breakthrough curves were found to be sensitive to fracture aperture. An 'elliptical tube' fracture model was found to provide the best fit to the data and based on this model, we were able to estimate the aperture of the fracture in the present case. Moreover, the comparison of experimental breakthrough curves and modelling results also suggests that the effective fracture aperture may increase with scale. This work emphasizes that multiple-scale push-pull thermal tests can provide valuable insights on fracture geometry and fracture aperture.
How Far from Equilibrium Is Active Matter?
NASA Astrophysics Data System (ADS)
Fodor, Étienne; Nardini, Cesare; Cates, Michael E.; Tailleur, Julien; Visco, Paolo; van Wijland, Frédéric
2016-07-01
Active matter systems are driven out of thermal equilibrium by a lack of generalized Stokes-Einstein relation between injection and dissipation of energy at the microscopic scale. We consider such a system of interacting particles, propelled by persistent noises, and show that, at small but finite persistence time, their dynamics still satisfy a time-reversal symmetry. To do so, we compute perturbatively their steady-state measure and show that, for short persistent times, the entropy production rate vanishes. This endows such systems with an effective fluctuation-dissipation theorem akin to that of thermal equilibrium systems. Last, we show how interacting particle systems with viscous drags and correlated noises can be seen as in equilibrium with a viscoelastic bath but driven out of equilibrium by nonconservative forces, hence providing energetic insight into the departure of active systems from equilibrium.
Anderson, J.C.
1992-03-01
Temperatures were monitored at various locations on DT-18 and PC-1 shipping packages during furnace tests at the Y-12 Plant in Oak Ridge, Tennessee. The furnace tests are intended to simulate hypothetical thermal accident conditions specified in Title 10 CFR, Pt. 71.73 (c)(3). Maximum temperatures of the outer containers ranged from 750 to 965{degrees}C while typical maximum temperatures recorded on the inner containers were 60 to 77{degrees}C. One exceptionally high temperature of 196{degrees}C occurred on the PC-1 inner container. Heating 7.1 models of both the DT-18 and PC-1 packages were developed. Models with and without heat generation in the inner containers were developed for each shipping package. The models with heat generation are intended to simulate condensation and convection of hot vapors generated during the heating of the Celotex{trademark} insulating material used in the packages. In general, the analytical models calculate temperatures for the outer containers which agree well with the test data. The HEATING models with and without heat generation bound the inner container test data. These findings are significant in that they lead to the conclusion that heat is transferred to the inner containers through a mechanism other than conduction alone. The high temperature of 196{degrees}C recorded at the PC-1 inner container is within 4{degrees}C of the maximum temperature calculated by the PC-1 HEATING model with heat generation.
Mixed quantum-classical equilibrium in global flux surface hopping
Sifain, Andrew E.; Wang, Linjun; Prezhdo, Oleg V.
2015-06-14
Global flux surface hopping (GFSH) generalizes fewest switches surface hopping (FSSH)—one of the most popular approaches to nonadiabatic molecular dynamics—for processes exhibiting superexchange. We show that GFSH satisfies detailed balance and leads to thermodynamic equilibrium with accuracy similar to FSSH. This feature is particularly important when studying electron-vibrational relaxation and phonon-assisted transport. By studying the dynamics in a three-level quantum system coupled to a classical atom in contact with a classical bath, we demonstrate that both FSSH and GFSH achieve the Boltzmann state populations. Thermal equilibrium is attained significantly faster with GFSH, since it accurately represents the superexchange process. GFSH converges closer to the Boltzmann averages than FSSH and exhibits significantly smaller statistical errors.
Sahu, J.N.; Patwardhan, A.V.; Meikap, B.C.
2009-03-15
Ammonia has long been known to be useful in the treatment of flue/tail/stack gases from industrial furnaces, incinerators, and electric power generation industries. In this study, urea hydrolysis for production of ammonia, in different application areas that require safe use of ammonia at in situ condition, was investigated in a batch reactor. The equilibrium and kinetic study of urea hydrolysis was done in a batch reactor at reaction pressure to investigate the effect of reaction temperature, initial feed concentration, and time on ammonia production. This study reveals that conversion increases exponentially with an increase in temperature but with increases in initial feed concentration of urea the conversion decreases marginally. Further, the effect of time on conversion has also been studied; it was found that conversion increases with increase in time. Using collision theory, the temperature dependency of forward rate constant developed from which activation energy of the reaction and the frequency factor has been calculated. The activation energy and frequency factor of urea hydrolysis reaction at atmospheric pressure was found to be 73.6 kJ/mol and 2.89 x 10{sup 7} min{sup -1}, respectively.
Pathak, Amar Deep; Nedea, Silvia; Zondag, Herbert; Rindt, Camilo; Smeulders, David
2016-04-21
Salt hydrates store solar energy in chemical form via a reversible dehydration-hydration reaction. However, as a side reaction to dehydration, hydrolysis (HCl formation) may occur in chloride based salt hydrates (specially in MgCl2 hydrates), affecting the durability of the storage system. The mixture of CaCl2 and MgCl2 hydrates has been shown experimentally to have exceptional cycle stability and improved kinetics. However, the optimal operating conditions for the mixture are unknown. To understand the appropriate balance between dehydration and hydrolysis kinetics in the mixtures, it is essential to gain in-depth insight into the mixture components. We present a GGA-DFT level study to investigate the various gaseous structures of CaCl2 hydrates and to understand the relative stability of their conformers. The hydration strength and relative stability of conformers are dominated by electrostatic interactions. A wide network of intramolecular homonuclear and heteronuclear hydrogen bonds is observed in CaCl2 hydrates. Equilibrium product concentrations are obtained during dehydration and hydrolysis reactions under various temperature and pressure conditions. The trend of the dehydration curve with temperature in CaCl2 hydrates is similar to the experiments. Comparing these results to those of MgCl2 hydrates, we find that CaCl2 hydrates are more resistant towards hydrolysis in the temperature range of 273-800 K. Specifically, the present study reveals that the onset temperatures of HCl formation, a crucial design parameter for MgCl2 hydrates, are lower than for CaCl2 hydrates except for the mono-hydrate. PMID:27004734
Thermal Motion of DNA in an MspA Pore.
Lu, Bo; Fleming, Stephen; Szalay, Tamas; Golovchenko, Jene
2015-10-01
We report on an experiment and calculations that determine the thermal motion of a voltage-clamped single-stranded DNA-NeutrAvidin complex in a Mycobacterium smegmatis porin A nanopore. The electric force and diffusion constant of DNA inside a Mycobacterium smegmatis porin A pore were determined to evaluate the thermal position fluctuations of DNA. We show that an out-of-equilibrium state returns to equilibrium so quickly that experiments usually measure a weighted average over the equilibrium position distribution. Averaging over the equilibrium position distribution is consistent with results of state-of-the-art nanopore sequencing experiments. It is shown how a reduction in thermal position fluctuations can be achieved by increasing the electrophoretic force used in nanopore sequencing devices. PMID:26445444
NASA Astrophysics Data System (ADS)
Bu, Minqiang; Perch-Nielsen, Ivan R.; Sørensen, Karen S.; Skov, Julia; Sun, Yi; Duong Bang, Dang; Pedersen, Michael E.; Hansen, Mikkel F.; Wolff, Anders
2013-07-01
We present a temperature control method capable of effectively shortening the thermal cycling time of polymerase chain reaction (PCR) in a disposable polymer microfluidic device with an external heater and a temperature sensor. The method employs optimized temperature overshooting and undershooting steps to achieve a rapid ramping between the temperature steps for DNA denaturation, annealing and extension. The temperature dynamics within the microfluidic PCR chamber was characterized and the overshooting and undershooting parameters were optimized using the temperature-dependent fluorescence signal from Rhodamine B. The method was validated with the PCR amplification of mecA gene (162 bp) from methicillin-resistant Staphylococcus aureus bacterium (MRSA), where the time for 30 cycles was reduced from 50 min (without over- and undershooting) to 20 min.
Equilibrium fluctuation energy of gyrokinetic plasma
Krommes, J.A.; Lee, W.W.; Oberman, C.
1985-11-01
The thermal equilibrium electric field fluctuation energy of the gyrokinetic model of magnetized plasma is computed, and found to be smaller than the well-known result
Non-equilibrium Transport of Light
NASA Astrophysics Data System (ADS)
Wang, Chiao-Hsuan; Taylor, Jacob
Non-equilibrium Transport of Light The thermalization of light under conditions of parametric coupling to a bath provides a robust chemical potential for light. We study non-equilibrium transport of light using non-equilibrium Green's function approach under the parametric coupling scheme, and explore a potential photonic analogue to the Landauer transport equation. Our results provide understandings of many-body states of photonic matter with chemical potential imbalances. The transport theory of light paves the way for quantum simulation and even practical applications of diode-like circuits using quantum photonic sources in the microwave and optical domain.
Passive equilibrium studies on ZT-P
Pickrell, M.M.; Reass, W.A.
1987-12-01
The poloidal field system of ZT-P was modified by the addition of a transformer, which coupled the magnetizing and equilibrium circuits. ZT-P is a small, air core, Reversed Field Pinch, operated at the Los Alamos National Laboratory. It is used as test bed for the much larger ZT-H, RFP experiment, now under construction at LANL. Planned experiments include size scaling measurements and determining the effect of low time constant measurements and determining the effect of low time constant shell operation. ZT-P has had an entirely passive equilibrium system, which did not provide a well centered equilibrium, although a tolerable equilibrium was realized by removing half of the equilibrium coil set. The transformer was added to the poloidal field system to adjust the equilibrium current for a centered plasma, while using the entire coil set. It also had the effect of reducing the dependence of the equilibrium on the plasma resistance. Stable, well centered discharges were achieved over a broad range of plasma currents. The improved equilibrium also lowered the loop voltage and extended the discharge lifetime. These experiments also investigated the unique problems of equilibrium systems on air core RFP devices. 26 refs., 6 figs.
Pions in and out of equilibrium
Gavin, S.
1991-12-01
Can final state scattering wrestle the secondaries in nucleus-nucleus collisions into a fluid state near local thermal equilibrium What do the pion p{sub T} spectra measured in pp, pA and SPS light ion experiments already tell us about the approach to equilibrium To begin to address these questions, we must face the nonequilibrium nature of hadronic evolution in the late stages of these collisions. I will outline efforts to apply transport theory to the nonequilibrium pion fluid at midrapidity focusing on two phenomena: partial thermalization and pion conservation.
Pions in and out of equilibrium
Gavin, S.
1991-12-01
Can final state scattering wrestle the secondaries in nucleus-nucleus collisions into a fluid state near local thermal equilibrium? What do the pion p{sub T} spectra measured in pp, pA and SPS light ion experiments already tell us about the approach to equilibrium? To begin to address these questions, we must face the nonequilibrium nature of hadronic evolution in the late stages of these collisions. I will outline efforts to apply transport theory to the nonequilibrium pion fluid at midrapidity focusing on two phenomena: partial thermalization and pion conservation.
Getting Freshman in Equilibrium.
ERIC Educational Resources Information Center
Journal of Chemical Education, 1983
1983-01-01
Various aspects of chemical equilibrium were discussed in six papers presented at the Seventh Biennial Conference on Chemical Education (Stillwater, Oklahoma 1982). These include student problems in understanding hydrolysis, helping students discover/uncover topics, equilibrium demonstrations, instructional strategies, and flaws to kinetic…
Quantum fields out of thermal equilibrium
Eboli, O.; Jackiw, R.; Pi, S.
1988-06-15
The isoentropic, but energy-nonconserving, time evolution of mixed quantum states is studied in quantum mechanics and quantum field theory. A variational principle, which gives the Liouville--von Neumann equation, is implemented approximately by making a Gaussian Ansatz for the density matrix. The dynamical equations governing the parameters that define the Ansatz satisfy equations variously analogous to the Schroedinger equation and to mechanical problems. Interesting nonequilibrium evolution is found in special cases, as, for example, when the analog Schroedinger equation gives rise to reflectionless transmission. For field theory in an external, time-dependent metric we obtain equations that were previously derived in the many-field (spherical-model) limit.
Chemical Principles Revisited: Chemical Equilibrium.
ERIC Educational Resources Information Center
Mickey, Charles D.
1980-01-01
Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)
Computing Equilibrium Chemical Compositions
NASA Technical Reports Server (NTRS)
Mcbride, Bonnie J.; Gordon, Sanford
1995-01-01
Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.
Equilibrium time correlation functions and the dynamics of fluctuations
Luban, Marshall; Luscombe, James H.
1999-12-01
Equilibrium time correlation functions are of great importance because they probe the equilibrium dynamical response to external perturbations. We discuss the properties of time correlation functions for several systems that are simple enough to illustrate the calculational steps involved. The discussion underscores the need for avoiding language which misleadingly suggests that thermal equilibrium is associated with a quiescent or moribund state of the system. (c) 1999 American Association of Physics Teachers.
Theory for non-equilibrium statistical mechanics.
Attard, Phil
2006-08-21
This paper reviews a new theory for non-equilibrium statistical mechanics. This gives the non-equilibrium analogue of the Boltzmann probability distribution, and the generalization of entropy to dynamic states. It is shown that this so-called second entropy is maximized in the steady state, in contrast to the rate of production of the conventional entropy, which is not an extremum. The relationships of the new theory to Onsager's regression hypothesis, Prigogine's minimal entropy production theorem, the Langevin equation, the formula of Green and Kubo, the Kawasaki distribution, and the non-equilibrium fluctuation and work theorems, are discussed. The theory is worked through in full detail for the case of steady heat flow down an imposed temperature gradient. A Monte Carlo algorithm based upon the steady state probability density is summarized, and results for the thermal conductivity of a Lennard-Jones fluid are shown to be in agreement with known values. Also discussed is the generalization to non-equilibrium mechanical work, and to non-equilibrium quantum statistical mechanics. As examples of the new theory two general applications are briefly explored: a non-equilibrium version of the second law of thermodynamics, and the origin and evolution of life. PMID:16883388
Computing Properties Of Chemical Mixtures At Equilibrium
NASA Technical Reports Server (NTRS)
Mcbride, B. J.; Gordon, S.
1995-01-01
Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.
NASA Astrophysics Data System (ADS)
Li, Angsheng; Zhang, Xiaohui; Pan, Yicheng; Peng, Pan
2014-12-01
It seems a universal phenomenon of networks that the attacks on a small number of nodes by an adversary player Alice may generate a global cascading failure of the networks. It has been shown (Li et al., 2013) that classic scale-free networks (Barabási and Albert, 1999, Barabási, 2009) are insecure against attacks of as small as O(logn) many nodes. This poses a natural and fundamental question: Can we introduce a second player Bob to prevent Alice from global cascading failure of the networks? We proposed a game in networks. We say that a network has an equilibrium game if the second player Bob has a strategy to balance the cascading influence of attacks by the adversary player Alice. It was shown that networks of the preferential attachment model (Barabási and Albert, 1999) fail to have equilibrium games, that random graphs of the Erdös-Rényi model (Erdös and Rényi, 1959, Erdös and Rényi, 1960) have, for which randomness is the mechanism, and that homophyly networks (Li et al., 2013) have equilibrium games, for which homophyly and preferential attachment are the underlying mechanisms. We found that some real networks have equilibrium games, but most real networks fail to have. We anticipate that our results lead to an interesting new direction of network theory, that is, equilibrium games in networks.
Stabilization of beam-weibel instability by equilibrium density ripples
Mishra, S. K. Kaw, Predhiman; Das, A.; Sengupta, S.; Ravindra Kumar, G.
2014-01-15
In this paper, we present an approach to achieve suppression/complete stabilization of the transverse electromagnetic beam Weibel instability in counter streaming electron beams by modifying the background plasma with an equilibrium density ripple, shorter than the skin depth; this weakening is more pronounced when thermal effects are included. On the basis of a linear two stream fluid model, it is shown that the growth rate of transverse electromagnetic instabilities can be reduced to zero value provided certain threshold values for ripple parameters are exceeded. We point out the relevance of the work to recent experimental investigations on sustained (long length) collimation of fast electron beams and integral beam transport for laser induced fast ignition schemes, where beam divergence is suppressed with the assistance of carbon nano-tubes.
Novel procedure for thermal equilibration in molecular dynamics simulation.
Gallo, Marco T; Grant, Barry J; Teodoro, Miguel L; Melton, Julia; Cieplak, Piotr; Phillips, George N; Stec, Boguslaw
2009-04-01
We describe a simple novel procedure for achieving thermal equilibration between a protein and a surrounding solvent during molecular dynamics (MD) simulation. The method uniquely defines the length of simulation time required to achieve thermal equilibrium over a broad range of parameters, thus removing ambiguities associated with the traditional heuristic approaches. The proposed protocol saves simulation time and avoids bias introduced by the inclusion of non-equilibrium events. The key element of the procedure involves coupling only the solvent atoms to a standard heat bath. Measuring progress towards thermal equilibration involves simply monitoring the difference in temperature between the solvent and the protein. Here, we report that the results of MD simulations using the above procedure are measurably improved relative to the traditional approaches in terms of root-mean-square deviations and principal components analysis both indicating significantly less undesirable divergence. PMID:25125797
Novel procedure for thermal equilibration in molecular dynamics simulation
Gallo, Marco T.; Grant, Barry J.; Teodoro, Miguel L.; Melton, Julia; Cieplak, Piotr; Phillips, George N.; Stec, Boguslaw
2014-01-01
We describe a simple novel procedure for achieving thermal equilibration between a protein and a surrounding solvent during molecular dynamics (MD) simulation. The method uniquely defines the length of simulation time required to achieve thermal equilibrium over a broad range of parameters, thus removing ambiguities associated with the traditional heuristic approaches. The proposed protocol saves simulation time and avoids bias introduced by the inclusion of non-equilibrium events. The key element of the procedure involves coupling only the solvent atoms to a standard heat bath. Measuring progress towards thermal equilibration involves simply monitoring the difference in temperature between the solvent and the protein. Here, we report that the results of MD simulations using the above procedure are measurably improved relative to the traditional approaches in terms of root-mean-square deviations and principal components analysis both indicating significantly less undesirable divergence. PMID:25125797
Equilibrium-like phase transition of a dynamic system
NASA Astrophysics Data System (ADS)
Han, Ming; Yan, Jing; Granick, Steve; Luijten, Erik
2014-03-01
Dynamic systems are considered to be intrinsically different from systems in thermal equilibrium. Despite this fundamental dichotomy, here we demonstrate that a non-equilibrium, fully dynamical system can display behavior that constitutes a complete analogy to thermal equilibrium phase behavior. This dynamical system, consisting of Janus colloids strongly controlled by external fields and over-damped by a viscous solvent, phase separates like a binary fluid mixture, with a coexistence curve separating mixed and demixed regimes and a critical point that we demonstrate to belong to the 2D Ising universality class. Within the coexistence curve, we locate the spinodal curve that separates spinodal decomposition from nucleation and growth.
Non-equilibrium quantum heat machines
NASA Astrophysics Data System (ADS)
Alicki, Robert; Gelbwaser-Klimovsky, David
2015-11-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.
An Updated Equilibrium Machine
ERIC Educational Resources Information Center
Schultz, Emeric
2008-01-01
A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are…
An Updated Equilibrium Machine
NASA Astrophysics Data System (ADS)
Schultz, Emeric
2008-08-01
A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are applied. Equilibrium can be approached from different distributions of balls in the container under different conditions. The Le Châtelier principle can be demonstrated. Kinetic concepts can be demonstrated by changing the nature of the barrier, either changing the height or by having various sized holes in the barrier. Thermodynamic concepts can be demonstrated by taping over some or all of the openings and restricting air flow into container on either side of the barrier.
NASA Technical Reports Server (NTRS)
Shebalin, John V.
1997-01-01
The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.
The equilibrium dayside magnetosphere
NASA Technical Reports Server (NTRS)
Zavriyev, Anton; Hasegawa, Akira
1989-01-01
A method is presented of computing the dayside global earth magnetic field which is in equilibrium with the plasma pressure, based on satellite observations at a local region of the magnetosphere. The method, which utilizes a perturbation around a dipole magnetic field, involves computation of the global plasma pressure profile based on the equatorial (anisotropic) pressure data, derivation of the current profile which satisfies the equilibrium condition, and computation of the magnetic field using the current profile and the boundary current produced by the solar wind. The method is applied for the Active Magnetospheric Particle Tracer Explorers data, and the result of the computation is found to compare reasonably well with the observed magnetic field profile near the geomagnetic equator.
NASA Astrophysics Data System (ADS)
Godrèche, C.
2011-03-01
Preface; 1. Shape and growth of crystals P. Nozières; 2. Instabilities of planar solidification fronts B. Caroli, C. Caroli and B. Roulet; 3. An introduction to the kinetics of first-order phase transition J. S. Langer; 4. Dendritic growth and related topics Y. Pomeau and M. Ben Amar; 5. Growth and aggregation far from equilibrium L. M. Sander; 6. Kinetic roughening of growing surfaces J. Krug and H. Spohn; Acknowledgements; References; Index.
Exoplanet Equilibrium Chemistry Calculations
NASA Astrophysics Data System (ADS)
Blumenthal, Sarah; Harrington, J.; Bowman, M.; Blecic, J.
2013-10-01
Recently, Agundez et al. (2012, A&A 548, A73) used a chemical kinetics code to study a model HD 209458b (equilibrium temperature of 1450 K, assuming full redistribution and 0 albedo). They found that thermochemistry dominates most of the dayside, but that significant compositional gradients may exist across the dayside. We calculate equilibrium-chemistry molecular abundances for several model exoplanets, using NASA's open-source Chemical Equilibrium Abundances code (McBride and Gordon 1996). We vary the degree of radiation redistribution to the dark side, ranging from total redistribution to instantaneous reradiation. Atomically, both the solar abundance multiple and the carbon fraction vary. Planet substellar temperatures range from just above 1200 K, where photochemistry should no longer be important, to those of hot planets (3000 K). We present synthetic abundance images for the key spectroscopic molecules CO, CH4, and H2O for several hot-Jupiter model planets. This work was supported by the NASA Planetary Atmospheres grant NNX12AI69G.
Equilibrium Electroconvective Instability
NASA Astrophysics Data System (ADS)
Rubinstein, I.; Zaltzman, B.
2015-03-01
Since its prediction 15 years ago, hydrodynamic instability in concentration polarization at a charge-selective interface has been attributed to nonequilibrium electro-osmosis related to the extended space charge which develops at the limiting current. This attribution had a double basis. On the one hand, it has been recognized that neither equilibrium electro-osmosis nor bulk electroconvection can yield instability for a perfectly charge-selective solid. On the other hand, it has been shown that nonequilibrium electro-osmosis can. The first theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge selectivity for the sake of simplicity and so did the subsequent studies of various time-dependent and nonlinear features of electro-osmotic instability. In this Letter, we show that relaxing the assumption of perfect charge selectivity (tantamount to fixing the electrochemical potential of counterions in the solid) allows for the equilibrium electroconvective instability. In addition, we suggest a simple experimental test for determining the true, either equilibrium or nonequilibrium, origin of instability in concentration polarization.
Planetary cratering 2: Studies of saturation equilibrium
NASA Astrophysics Data System (ADS)
Hartmann, William K.; Gaskell, Robert W.
1997-01-01
A realistic computer model has been developed to display images of imaginary cratered surfaces, taking into account empirically measured input size distributions of primary and secondary craters, ejecta blanket morphology including feathering with distance, obliteration due to ejecta from outside the imaged area, lighting effects, etc. The model allows us to track surface evolution of morphology as new craters are added. Using the model as well as lunar photos, we have studied the approach to saturation equilibrium (defined as a condition when no further proportionate increase in crater density occurs as input cratering increases). We find that an identifiable saturation equilibrium occurs close to a level previously identified for this state (Hartmann 1984), typically fluctuating around a crater density from about 0.4 to 2 times that level. This result is fairly robust vis-a-vis the range of model parameters we have chosen. Flooding, basin ejecta blankets, and other obliterative effects can introduce structure and oscillations within this range, even after saturation equilibrium is achieved. These findings may constrain or revise certain earlier interpretations of satellite and planet surface evolution and impactor populations which were predicated on the assumed absence of saturation equilibrium. In our fourth experimental run, we found that suppression of "sandblasting" by sub-resolution impacts allows the smallest secondaries to rise above the saturation equilibrium line, a result that might be relevant to a similar situation on Gaspra and perhaps some other asteroids.
Approach to equilibrium in N-body gravitational systems
NASA Astrophysics Data System (ADS)
El-Zant, A. A.
1998-10-01
The evolution of closed gravitational systems is studied by means of N-body simulations. This, as well as being interesting in its own right, provides insight into the dynamical and statistical mechanical properties of gravitational systems: the possibility of the existence of stable equilibrium states and the associated relaxation time would provide an ideal situation where relaxation theory can be tested. Indeed, these states are found to exist for single mass N-body systems, and the condition for this is simply that obtained from elementary thermodynamical considerations applied to self-gravitating ideal gas spheres. However, even when this condition is satisfied, some initial states may not end as isothermal spheres. It is therefore only a necessary condition. Simple considerations also predict that, for fixed total mass, energy, and radius, stable isothermal spheres are unique. Therefore, statistically irreversible perturbations to the density profile, caused by the accumulation of massive particles near the center of multimass systems, destroy these equilibria if the aforementioned quantities are kept fixed. The time scale for this to happen was found to be remarkably short (a few dynamical times when N=2500) in systems undergoing violent relaxation. The time taken to achieve thermal equilibrium depended on the initial conditions and could be comparable to a dynamical time (even when the conditions for violent relaxation were not satisfied) or the two body relaxation time. The relaxation time for velocity anisotropies was intermediate between these two time scales, being long compared to the dynamical time but much (about four times) shorter than the time scale of energy relaxation. This last result, along with the observation of the anomalously rapid mass segregation in some situations, suggests that, in gravitational systems, different quantities may relax at different rates, and that the thermal (two body) relaxation time scale, even if accurate for energy
Non-Equilibrium Transitions of Heliospheric plasma
NASA Astrophysics Data System (ADS)
Livadiotis, G.; McComas, D. J.
2011-12-01
Recent advances in Space Physics theory have established the connection between non-extensive Statistical Mechanics and space plasmas by providing a theoretical basis for the empirically derived kappa distributions commonly used to describe the phase space distribution functions of these systems [1]. The non-equilibrium temperature and the kappa index that govern these distributions are the two independent controlling parameters of non-equilibrium systems [1-3]. The significance of the kappa index is primarily given by its role in identifying the non-equilibrium stationary states, and measuring their "thermodynamic distance" from thermal equilibrium [4], while its physical meaning is connected to the correlation between the system's particles [5]. For example, analysis of the IBEX high Energetic Neutral Atom spectra [6] showed that the vast majority of measured kappa indices are between ~1.5 and ~2.5, consistent with the far-equilibrium "cavity" of minimum entropy discovered by Livadiotis & McComas [2]. Spontaneous procedures that can increase the entropy, move the system gradually toward equilibrium, that is the state with the maximum (infinite) kappa index. Other external factors that may decrease the entropy, move the system back to states further from equilibrium where the kappa indices are smaller. Newly formed pick-up ions can play this critical role in the solar wind and other space plasmas. We have analytically shown that their highly ordered motion can reduce the average entropy in the plasma beyond the termination shock, inside the inner heliosheath [7]. Non-equilibrium transitions have a key role in understanding the governing thermodynamical processes of space plasmas. References 1. Livadiotis, G., & McComas, D. J. 2009, JGR, 114, 11105. 2. Livadiotis, G., & McComas, D. J. 2010a, ApJ, 714, 971. 3. Livadiotis, G., & McComas, D. J. 2010c, in AIP Conf. Proc. 9, Pickup Ions Throughout the Heliosphere and Beyond, ed. J. LeRoux, V. Florinski, G. P. Zank, & A
Structural design using equilibrium programming
NASA Technical Reports Server (NTRS)
Scotti, Stephen J.
1992-01-01
Multiple nonlinear programming methods are combined in the method of equilibrium programming. Equilibrium programming theory has been appied to problems in operations research, and in the present study it is investigated as a framework to solve structural design problems. Several existing formal methods for structural optimization are shown to actually be equilibrium programming methods. Additionally, the equilibrium programming framework is utilized to develop a new structural design method. Selected computational results are presented to demonstrate the methods.
Towards Non-Equilibrium Dynamics with Trapped Ions
NASA Astrophysics Data System (ADS)
Silbert, Ariel; Jubin, Sierra; Doret, Charlie
2016-05-01
Atomic systems are superbly suited to the study of non-equilibrium dynamics. These systems' exquisite isolation from environmental perturbations leads to long relaxation times that enable exploration of far-from-equilibrium phenomena. One example of particular relevance to experiments in trapped ion quantum information processing, metrology, and precision spectroscopy is the approach to thermal equilibrium of sympathetically cooled linear ion chains. Suitable manipulation of experimental parameters permits exploration of the quantum-to-classical crossover between ballistic transport and diffusive, Fourier's Law conduction, a topic of interest not only to the trapped ion community but also for the development of microelectronic devices and other nanoscale structures. We present progress towards trapping chains of multiple co-trapped calcium isotopes geared towards measuring thermal equilibration and discuss plans for future experiments in non-equilibrium statistical mechanics. This work is supported by Cottrell College Science Award from the Research Corporation for Science Advancement and by Williams College.
Liu, Xiaoyan; Su, Yiguo; Zhao, Qihang; Du, Chunfang; Liu, Zhiliang
2016-01-01
This work reports on the construction of a Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing method. The X-ray diffraction (XRD) results indicated that the phase transformation from BiOCl to Bi24O31Cl10 could be realized during the thermal annealing process. The high-resolution transmission electron microscopy (HRTEM) images, X-ray photoelectron spectroscopy (XPS) binding energy shifts, Raman spectra and Fouier transform infrared spectroscopy (FT-IR) spectra confirmed the formation of the Bi24O31Cl10/BiOCl heterojunction. The obtained Bi24O31Cl10/BiOCl photocatalyst showed excellent conversion efficiency and selectivity toward photocatalytic conversion of benzyl alcohol to benzaldehyde under visible light irradiation. The radical scavengers and electron spin resonance (ESR) results suggested that the photogenerated holes were the dominant reactive species responsible for the photocatalytic oxidation of benzyl alcohol and superoxide radicals were not involved in the photocatalytic process. The in-situ generation of Bi24O31Cl10/BiOCl heterojunction may own superior interfacial contact than the two-step synthesized heterojunctions, which promotes the transfer of photogenerated charge carriers and is favorable for excellent photocatalytic activities. PMID:27340032
NASA Astrophysics Data System (ADS)
Liu, Xiaoyan; Su, Yiguo; Zhao, Qihang; Du, Chunfang; Liu, Zhiliang
2016-06-01
This work reports on the construction of a Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing method. The X-ray diffraction (XRD) results indicated that the phase transformation from BiOCl to Bi24O31Cl10 could be realized during the thermal annealing process. The high-resolution transmission electron microscopy (HRTEM) images, X-ray photoelectron spectroscopy (XPS) binding energy shifts, Raman spectra and Fouier transform infrared spectroscopy (FT-IR) spectra confirmed the formation of the Bi24O31Cl10/BiOCl heterojunction. The obtained Bi24O31Cl10/BiOCl photocatalyst showed excellent conversion efficiency and selectivity toward photocatalytic conversion of benzyl alcohol to benzaldehyde under visible light irradiation. The radical scavengers and electron spin resonance (ESR) results suggested that the photogenerated holes were the dominant reactive species responsible for the photocatalytic oxidation of benzyl alcohol and superoxide radicals were not involved in the photocatalytic process. The in-situ generation of Bi24O31Cl10/BiOCl heterojunction may own superior interfacial contact than the two-step synthesized heterojunctions, which promotes the transfer of photogenerated charge carriers and is favorable for excellent photocatalytic activities.
Liu, Xiaoyan; Su, Yiguo; Zhao, Qihang; Du, Chunfang; Liu, Zhiliang
2016-01-01
This work reports on the construction of a Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing method. The X-ray diffraction (XRD) results indicated that the phase transformation from BiOCl to Bi24O31Cl10 could be realized during the thermal annealing process. The high-resolution transmission electron microscopy (HRTEM) images, X-ray photoelectron spectroscopy (XPS) binding energy shifts, Raman spectra and Fouier transform infrared spectroscopy (FT-IR) spectra confirmed the formation of the Bi24O31Cl10/BiOCl heterojunction. The obtained Bi24O31Cl10/BiOCl photocatalyst showed excellent conversion efficiency and selectivity toward photocatalytic conversion of benzyl alcohol to benzaldehyde under visible light irradiation. The radical scavengers and electron spin resonance (ESR) results suggested that the photogenerated holes were the dominant reactive species responsible for the photocatalytic oxidation of benzyl alcohol and superoxide radicals were not involved in the photocatalytic process. The in-situ generation of Bi24O31Cl10/BiOCl heterojunction may own superior interfacial contact than the two-step synthesized heterojunctions, which promotes the transfer of photogenerated charge carriers and is favorable for excellent photocatalytic activities. PMID:27340032
NASA Astrophysics Data System (ADS)
Xie, Fengxian; Zhang, Di; Choy, Wallace C. H.
2015-09-01
The lead halide-based perovskite solar cells have emerged as a promising candidate in photovoltaic applications. However, the precise control over the morphologiy of the perovskite films (minimizing pore formation) and enhanced stability and reproducibility of the devices remain challenging, even though both will be necessary for further advancements. Here we introduce vacuum-assisted thermal annealing as a means of controlling the composition and morphology of the CH3NH3PbI3 films formed from PbCl2 and CH3NH3I as precursors. We identify the critical role that the CH3NH3Cl generated as a byproduct during the pervoskite synthesis plays for the photovoltaic performance of the perovskite film. Removing this byproduct through vacuum-assisted thermal annealing we succeeded in producing pure, pore-free planar CH3NH3PbI3 films showing high conversion efficiency (PCE) reaching 14.5%). Removal of CH3NH3Cl strongly attenuate the photocurrent hysteresis.
Li, Shaopeng; Huang, Rongjin; Zhao, Yuqiang; Li, Wen; Wang, Wei; Huang, Chuanjun; Gong, Pifu; Lin, Zheshuai; Li, Laifeng
2015-08-17
Cubic La(Fe,Si)13-based compounds have been recently developed as promising negative thermal expansion(NTE) materials, but the narrow NTE operation-temperature window(∼110 K) restricts their actual applications. In this work, we demonstrate that the NTE operation-temperature window of LaFe(13-x)Si(x) can be significantly broadened by adjusting Fe-Fe magnetic exchange coupling as x ranges from 2.8 to 3.1. In particular, the NTE operation-temperature window of LaFe10.1Si2.9 is extended to 220 K. More attractively, the coefficients of thermal expansion of LaFe10.0Si3.0 and LaFe9.9Si3.1 are homogeneous in the NTE operation-temperature range of about 200 K, which is much valuable for the stability of fabricating devices. The further experimental characterizations combined with first-principles studies reveal that the tetragonal phase is gradually introduced into the cubic phase as the Si content increases, hence modifies the Fe-Fe interatomic distance. The reduction of the overall Fe-Fe magnetic exchange interactions contributes to the broadness of NTE operation-temperature window for LaFe(13-x)Si(x). PMID:26196377
Non-equilibrium DMFT - Polaritonics
NASA Astrophysics Data System (ADS)
Lubatsch, Andreas; Frank, Regine
Non-equilibrium physics recently really becomes important with the progress of ultrafast laser sciences. However in our understanding there is still a gap between equilibrium physics and the non-equilibrium, even though numerical methods have been advanced in recent years. We compare in this talk novel results at hand with equilibrium physics. The comparison will show that especially theoretical efforts are needed to explain many - so far - unresolved problems and to predict novel research on the basis of ab initio computing. We specifically discuss several non-equilibrium extensions of DMFT, numerical methods as well as semi-analytical solvers.
NASA Astrophysics Data System (ADS)
Jiang, Shixiao W.; Lu, Haihao; Zhou, Douglas; Cai, David
2016-08-01
Characterizing dispersive wave turbulence in the long time dynamics is central to understanding of many natural phenomena, e.g., in atmosphere ocean dynamics, nonlinear optics, and plasma physics. Using the β-Fermi–Pasta–Ulam nonlinear system as a prototypical example, we show that in thermal equilibrium and non-equilibrium steady state the turbulent state even in the strongly nonlinear regime possesses an effective linear stochastic structure in renormalized normal variables. In this framework, we can well characterize the spatiotemporal dynamics, which are dominated by long-wavelength renormalized waves. We further demonstrate that the energy flux is nearly saturated by the long-wavelength renormalized waves in non-equilibrium steady state. The scenario of such effective linear stochastic dynamics can be extended to study turbulent states in other nonlinear wave systems.
Statistical physics ""Beyond equilibrium
Ecke, Robert E
2009-01-01
The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.
Exploring Chemical Equilibrium in Hot Jovians
NASA Astrophysics Data System (ADS)
Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Blecic, Jasmina; Challener, Ryan
2016-01-01
It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Yung 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime 0.1 to 1 bar. These results are compared to a variety of exoplanets(Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an up-dated thermodynamic library) is compared with the thermochemical model presented in Venotet al. (2012) for HD 209458b and HD 189733b. This same analysis is then applied to the cooler planet HD 97658b. Spectra are generated and we compare both models' outputs using the open source codetransit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. Thiswork was supported by NASA Planetary Atmospheres grant NNX12AI69G.
Exploring Equilibrium Chemistry for Hot Exoplanets
NASA Astrophysics Data System (ADS)
Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Challener, Ryan
2015-11-01
It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Young 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime of 0.1 to 1 bar. These results are compared to a variety of exoplanets (Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an updated thermodynamic library) is validated with the thermochemical model presented in Venot et al. (2012) for HD 209458b and HD 189733b. This same analysis has then been extended to the cooler planet HD 97658b. Spectra are generated from both models’ abundances using the open source code transit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. This work was supported by NASA Planetary Atmospheres grant NNX12AI69G.
The Nash equilibrium: a perspective.
Holt, Charles A; Roth, Alvin E
2004-03-23
In 1950, John Nash contributed a remarkable one-page PNAS article that defined and characterized a notion of equilibrium for n- person games. This notion, now called the "Nash equilibrium," has been widely applied and adapted in economics and other behavioral sciences. Indeed, game theory, with the Nash equilibrium as its centerpiece, is becoming the most prominent unifying theory of social science. In this perspective, we summarize the historical context and subsequent impact of Nash's contribution. PMID:15024100
Grinding kinetics and equilibrium states
NASA Technical Reports Server (NTRS)
Opoczky, L.; Farnady, F.
1984-01-01
The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.
Gritti, Fabrice; Gilar, Martin; Jarrell, Joseph A
2016-04-29
A cylindrical vacuum chamber (inner diameter 5 cm) housing a narrow-bore 2.1 mm×100 mm column packed with 1.8 μm HSS-T3 fully porous particles was built in order to isolate thermally the chromatographic column from the external air environment. Consistent with statistical physics and the mean free path of air molecules, the experimental results show that natural air convection and conduction are fully eliminated for housing air pressures smaller than 10(-4) Torr. Heat radiation is minimized by wrapping up the column with low-emissivity aluminum-tape (emissivity coefficient ϵ=0.03 vs. 0.28 for polished stainless steel 316). Overall, the heat flux at the column wall is reduced by 96% with respect to standard still-air ovens. From a practical viewpoint, the efficiency of the column run at a flow rate of 0.6 mL/min at a constant 13,000 psi pressure drop (the viscous heat power is around 9 W/m) is improved by up to 35% irrespective of the analyte retention. Models of heat and mass transfer reveal that (1) the amplitude of the radial temperature gradient is significantly reduced from 0.30 to 0.01 K and (2) the observed improvement in resolution power stems from a more uniform distribution of the flow velocity across the column diameter. The eddy dispersion term in the van Deemter equation is reduced by 0.8±0.1 reduced plate height unit, a significant gain in column performance. PMID:27040511
Phillips, Rob
2016-01-01
It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest. PMID:27429713
NASA Astrophysics Data System (ADS)
Phillips, Rob
2015-03-01
It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.
Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices
NASA Astrophysics Data System (ADS)
Garcia Bertrand, Raquel
In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary
Evans, R. F. L.; Fan, W. J.
2014-11-10
Thermally assisted magnetic writing is an important technology utilizing temperature dependent magnetic properties to enable orientation of a magnetic data storage medium. Using an atomistic spin model, we study non-equilibrium field cooled magnetization processes on sub-nanosecond timescales required for device applications. We encapsulate the essential physics of the process in a thermoremanent magnetization curve and show that for fast timescales, heating to the Curie temperature is necessary where the magnetic relaxation time is shortest. Furthermore, we demonstrate the requirement for large magnetic fields to achieve a high thermoremanent magnetization necessary for fast recording or data rates.
Rapid-Equilibrium Enzyme Kinetics
ERIC Educational Resources Information Center
Alberty, Robert A.
2008-01-01
Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is…
Natural gas at thermodynamic equilibrium Implications for the origin of natural gas
2009-01-01
It is broadly accepted that so-called 'thermal' gas is the product of thermal cracking, 'primary' thermal gas from kerogen cracking, and 'secondary' thermal gas from oil cracking. Since thermal cracking of hydrocarbons does not generate products at equilibrium and thermal stress should not bring them to equilibrium over geologic time, we would not expect methane, ethane, and propane to be at equilibrium in subsurface deposits. Here we report compelling evidence of natural gas at thermodynamic equilibrium. Molecular compositions are constrained to equilibrium, and isotopic compositions are also under equilibrium constraints: The functions [(CH4)*(C3H8)] and [(C2H6)2] exhibit a strong nonlinear correlation (R2 = 0.84) in which the quotient Q progresses to K as wet gas progresses to dry gas. There are striking similarities between natural gas and catalytic gas generated from marine shales. A Devonian/Mississippian New Albany shale generates gas with Q converging on K over time as wet gas progresses to dry gas at 200°C. The position that thermal cracking is the primary source of natural gas is no longer tenable. It is challenged by its inability to explain the composition of natural gas, natural gases at thermodynamic equilibrium, and by the existence of a catalytic path to gas that better explains gas compositions. PMID:19531233
Is Soret equilibrium a non-equilibrium effect?
NASA Astrophysics Data System (ADS)
Würger, Alois
2013-04-01
Recent thermophoretic experiments on colloidal suspensions revived an old debate, namely whether the Soret effect is properly described by thermostatics, or necessarily requires non-equilibrium thermodynamics. Based on colloidal transport theory and the entropy production of the related viscous flow, our analysis leads to the conclusion that the equilibrium approach may work for small ions, yet fails for colloidal particles and polymers. Regarding binary molecular mixtures, our results shed some doubt on the validity of thermostatic approaches that derive the Soret coefficient from equilibrium potentials.
Equilibrium and shot noise in mesoscopic systems
Martin, T.
1994-10-01
Within the last decade, there has been a resurgence of interest in the study of noise in Mesoscopic devices, both experimentally and theoretically. Noise in solid state devices can have different origins: there is 1/f noise, which is believed to arise from fluctuations in the resistance of the sample due to the motion of impurities. On top of this contribution is a frequency independent component associated with the stochastic nature of electron transport, which will be the focus of this paper. If the sample considered is small enough that dephasing and inelastic effects can be neglected, equilibrium (thermal) and excess noise can be completely described in terms of the elastic scattering properties of the sample. As mentioned above, noise arises as a consequence of random processes governing the transport of electrons. Here, there are two sources of randomness: first, electrons incident on the sample occupy a given energy state with a probability given by the Fermi-Dirac distribution function. Secondly, electrons can be transmitted across the sample or reflected in the same reservoir where they came from with a probability given by the quantum mechanical transmission/reflection coefficients. Equilibrium noise refers to the case where no bias voltage is applied between the leads connected to the sample, where thermal agitation alone allows the electrons close to the Fermi level to tunnel through the sample. In general, equilibrium noise is related to the conductance of the sample via the Johnson-Nyquist formula. In the presence of a bias, in the classical regime, one expects to recover the full shot noise < {Delta}{sup 2}I >= 2I{Delta}{mu} as was observed a long time ago in vacuum diodes. In the Mesoscopic regime, however, excess noise is reduced below the shot noise level. The author introduces a more intuitive picture, where the current passing through the device is a superposition of pulses, or electron wave packets, which can be transmitted or reflected.
Spacecraft Sterilization Using Non-Equilibrium Atmospheric Pressure Plasma
NASA Technical Reports Server (NTRS)
Cooper, Moogega; Vaze, Nachiket; Anderson, Shawn; Fridman, Gregory; Vasilets, Victor N.; Gutsol, Alexander; Tsapin, Alexander; Fridman, Alexander
2007-01-01
As a solution to chemically and thermally destructive sterilization methods currently used for spacecraft, non-equilibrium atmospheric pressure plasmas are used to treat surfaces inoculated with Bacillus subtilis and Deinococcus radiodurans. Evidence of significant morphological changes and reduction in viability due to plasma exposure will be presented, including a 4-log reduction of B. subtilis after 2 minutes of dielectric barrier discharge treatment.
Womes, M.; Reibel, C.; Mari, A.; Zitoun, D.
2011-04-15
A series of spinel compounds with composition CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1) is analysed by X-ray diffraction, measurements of magnetic susceptibilities and {sup 57}Fe Moessbauer spectroscopy. All samples show a temperature-dependent equilibrium between an electronic low spin 3d(t{sub 2g}){sup 6}(e{sub g}){sup 0} and a high spin 3d(t{sub 2g}){sup 4}(e{sub g}){sup 2} state of the Fe(II) ions. The spin crossover is of the continuous type and extends over several hundred degrees in all samples. The Sn/Ti ratio influences the thermal equilibrium between the two spin states. Substitution of Sn(IV) by the smaller Ti(IV) ions leads to a more compact crystal lattice, which, in contrast to many metal-organic Fe(II) complexes, does not stabilise the low spin state, but increases the residual high spin fraction for T{yields}0 K. The role played by antiferromagnetic spin coupling in the stabilisation of the high spin state is discussed. The results are compared with model calculations treating the effect of magnetic interactions on spin state equilibria. -- Graphical Abstract: Comparison of fractions of high spin Fe(II) from Moessbauer spectra (circles) with plots of {chi}{sub m}T (dots) versus T. Discrepancies between both methods indicate anti-ferromagnetic spin coupling. Display Omitted Research highlights: {yields} Many Fe(II) complexes show thermally induced high spin-low spin crossover. {yields} Spin crossover in spinel compounds is extremely scarce. {yields} Usually, lattice contraction favours the low spin state in Fe(II) complexes. {yields} In these spinels, lattice contraction favours the high spin state. {yields} The stabilisation of the high spin state is explained by spin-spin interactions.
Helical axis stellarator equilibrium model
Koniges, A.E.; Johnson, J.L.
1985-02-01
An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift.
Generation of Nitrogen Acceptors in ZnO using Pulse Thermal Processing
Xu, Jun; Ott, Ronald D; Sabau, Adrian S; Pan, Zhengwei; Xiu, Faxian; Liu, Jilin; Erie, Jean-Marie; Norton, David P
2008-01-01
Bipolar doping in wide bandgap semiconductors is difficult to achieve under equilibrium conditions because of the spontaneous formation of compensating defects and unfavorable energetics for dopant substitution. In this work, we explored the use of rapid pulse thermal processing for activating nitrogen dopants into acceptor states in ZnO. Low-temperature photoluminescence spectra revealed both acceptor-bound exciton (A{sup 0}X) and donor-acceptor pair emissions, which present direct evidence for acceptors generated after pulse thermal processing of nitrogen-doped ZnO. This work suggests that pulse thermal processing is potentially an effective method for p-type doping of ZnO.
NASA Astrophysics Data System (ADS)
Esteso, Victoria; Carretero-Palacios, Sol; Míguez, Hernán
2016-04-01
We study at thermal equilibrium the effect of temperature deviations around room temperature on the equilibrium distance (deq) at which thin films made of Teflon, silica, or polystyrene immersed in glycerol levitate over a silicon substrate due to the balance of Casimir, gravity, and buoyancy forces. We find that the equilibrium nature (stable or unstable) of deq is preserved under temperature changes, and provide simple rules to predict whether the new equilibrium position will occur closer to or further from the substrate at the new temperature. These rules depend on the static permittivities of all materials comprised in the system ( ɛ0 ( m ) ) and the equilibrium nature of deq. Our designed dielectric configuration is excellent for experimental observation of thermal effects on the Casimir force indirectly detected through the tunable equilibrium distances (with slab thickness and material properties) in levitation mode.
Equilibrium and Orientation in Cephalopods.
ERIC Educational Resources Information Center
Budelmann, Bernd-Ulrich
1980-01-01
Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)
Equilibrium Constants You Can Smell.
ERIC Educational Resources Information Center
Anderson, Michael; Buckley, Amy
1996-01-01
Presents a simple experiment involving the sense of smell that students can accomplish during a lecture. Illustrates the important concepts of equilibrium along with the acid/base properties of various ions. (JRH)
Equilibrium ignition for ICF capsules
Lackner, K.S.; Colgate, S.A.; Johnson, N.L.; Kirkpatrick, R.C.; Menikoff, R.; Petschek, A.G.
1993-12-31
There are two fundamentally different approaches to igniting DT fuel in an ICF capsule which can be described as equilibrium and hot spot ignition. In both cases, a capsule which can be thought of as a pusher containing the DT fuel is imploded until the fuel reaches ignition conditions. In comparing high-gain ICF targets using cryogenic DT for a pusher with equilibrium ignition targets using high-Z pushers which contain the radiation. The authors point to the intrinsic advantages of the latter. Equilibrium or volume ignition sacrifices high gain for lower losses, lower ignition temperature, lower implosion velocity and lower sensitivity of the more robust capsule to small fluctuations and asymmetries in the drive system. The reduction in gain is about a factor of 2.5, which is small enough to make the more robust equilibrium ignition an attractive alternative.
Edge equilibrium code for tokamaks
Li, Xujing; Drozdov, Vladimir V.
2014-01-15
The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids.
A search for equilibrium states
NASA Technical Reports Server (NTRS)
Zeleznik, F. J.
1982-01-01
An efficient search algorithm is described for the location of equilibrium states in a search set of states which differ from one another only by the choice of pure phases. The algorithm has three important characteristics: (1) it ignores states which have little prospect for being an improved approximation to the true equilibrium state; (2) it avoids states which lead to singular iteration equations; (3) it furnishes a search history which can provide clues to alternative search paths.
De Vega, H.J.; Boyanovsky, D.
2000-07-17
The Relativistic Heavy Ion Collider (RHIC) at Brookhaven, beginning operation this year, and the Large Hadron Collider (LHC) at CERN, beginning operation {approximately}2005, will provide an unprecedented range of energies and luminosities that will allow us to probe the Gluon-Quark plasma. At RHIC and LHC, at central rapidity typical estimates of energy densities and temperatures are e * 1-10 GeV/fm3 and T0 * 300 - 900 MeV. Such energies are well above current estimates for the GQ plasma. Initially, this hot, dense plasma is far from local thermal equilibrium, making the theoretical study of transport phenomena, kinetic and chemical equilibration in dense and hot plasmas, and related issues a matter of fundamental importance. During the last few years a consistent framework to study collective effects in the Gluon-Quark plasma, and a microscopic description of transport in terms of the hard thermal (and dense) loops resummation program has emerged. This approach has the potential of providing a microscopic formulation of transport, in the regime of temperatures and densities to be achieved at RHIC and LHC. A parallel development over the last few years has provided a consistent formulation of non-equilibrium quantum field theory that provides a real-time description of phenomena out of equilibrium. Novel techniques including non-perturbative approaches and the dynamical renormalization group techniques lead to new insights into transport and relaxation. A deeper understanding of collective.excitations and transport phenomena in the GQ plasma could lead to recognize novel potential experimental signatures. New insights into small-c physics reveals a striking similarity between small-c and hard thermal loops, and novel real-time numerical simulations have recently studied the parton distributions and their thermalizations in the initial stages of a heavy ion collision.
DE VEGA,H.J.; BOYANOVSKY,D.
2000-07-17
The Relativistic Heavy Ion Collider (RHIC) at Brookhaven, beginning operation this year, and the Large Hadron Collider (LHC) at CERN, beginning operation {approximately}2005, will provide an unprecedented range of energies and luminosities that will allow us to probe the Gluon-Quark plasma. At RHIC and LHC, at central rapidity typical estimates of energy densities and temperatures are e * 1-10 GeV/fm3 and T0 * 300 - 900 MeV. Such energies are well above current estimates for the GQ plasma. Initially, this hot, dense plasma is far from local thermal equilibrium, making the theoretical study of transport phenomena, kinetic and chemical equilibration in dense and hot plasmas, and related issues a matter of fundamental importance. During the last few years a consistent framework to study collective effects in the Gluon-Quark plasma, and a microscopic description of transport in terms of the hard thermal (and dense) loops resummation program has emerged. This approach has the potential of providing a microscopic formulation of transport, in the regime of temperatures and densities to be achieved at RHIC and LHC. A parallel development over the last few years has provided a consistent formulation of non-equilibrium quantum field theory that provides a real-time description of phenomena out of equilibrium. Novel techniques including non-perturbative approaches and the dynamical renormalization group techniques lead to new insights into transport and relaxation. A deeper understanding of collective.excitations and transport phenomena in the GQ plasma could lead to recognize novel potential experimental signatures. New insights into small-c physics reveals a striking similarity between small-c and hard thermal loops, and novel real-time numerical simulations have recently studied the parton distributions and their thermalizations in the initial stages of a heavy ion collision.