WorldWideScience

Sample records for program elements thermodynamic

  1. Elements of chemical thermodynamics

    CERN Document Server

    Nash, Leonard K

    2005-01-01

    This survey of purely thermal data in calculating the position of equilibrium in a chemical reaction highlights the physical content of thermodynamics, as distinct from purely mathematical aspects. 1970 edition.

  2. Elements of statistical thermodynamics

    CERN Document Server

    Nash, Leonard K

    2006-01-01

    Encompassing essentially all aspects of statistical mechanics that appear in undergraduate texts, this concise, elementary treatment shows how an atomic-molecular perspective yields new insights into macroscopic thermodynamics. 1974 edition.

  3. THERRP: a thermodynamic properties program

    Energy Technology Data Exchange (ETDEWEB)

    Deeds, R.S.

    1977-05-01

    The computer program THERPP, a program that calculates the thermodynamic properties of light hydrocarbons and mixtures of light hydrocarbons is documented. A specific pressure--temperature or pressure--enthalpy grid is input to obtain properties in the desired region. THERPP is a modification of the program HSGC. Thermodynamic properties are calculated using Starling's modification to the Benedict-Webb-Rubin equation of state.

  4. Thermodynamic properties of gold-rare earth elements

    Science.gov (United States)

    Otmani, Samira; Tamim, Rkia; Moustaine, Driss; Mahdouk, Kamal

    2017-04-01

    This work presents the results of the thermodynamic optimizations of several Au-RE (RE = Ce, Nd, Sm, Eu, Gd, Tb, Dy and Yb) binary phase diagrams using the CALPHAD approach [D. Moustaine, K. Mahdouk, J. Alloys Comp. 683, 599 (2016); 673, 115 (2016); S. Otmani, K. Mahdouk, J. Alloys Comp. 670, 369 (2016); 648, 581 (2015)]. We compare and discuss, in this study, the alloying behavior as well as the evolution of multiple thermodynamic data relative to the Au-RE phases versus the atomic number of the RE element.

  5. HP-67 calculator programs for thermodynamic data and phase diagram calculations

    Energy Technology Data Exchange (ETDEWEB)

    Brewer, L.

    1978-05-25

    This report is a supplement to a tabulation of the thermodynamic and phase data for the 100 binary systems of Mo with the elements from H to Lr. The calculations of thermodynamic data and phase equilibria were carried out from 5000/sup 0/K to low temperatures. This report presents the methods of calculation used. The thermodynamics involved is rather straightforward and the reader is referred to any advanced thermodynamic text. The calculations were largely carried out using an HP-65 programmable calculator. In this report, those programs are reformulated for use with the HP-67 calculator; great reduction in the number of programs required to carry out the calculation results.

  6. Thermodynamic analysis of contamination by alloying elements in aluminum recycling.

    Science.gov (United States)

    Nakajima, Kenichi; Takeda, Osamu; Miki, Takahiro; Matsubae, Kazuyo; Nakamura, Shinichiro; Nagasaka, Tetsuya

    2010-07-15

    In previous studies on the physical chemistry of pyrometallurgical processing of aluminum scrap, only a limited number of thermodynamic parameters, such as the Gibbs free energy change of impurity reactions and the variation of activity of an impurity in molten aluminum, were taken into account. In contrast, in this study we thermodynamically evaluated the quantitative removal limit of impurities during the remelting of aluminum scrap; all relevant parameters, such as the total pressure, the activity coefficient of the target impurity, the temperature, the oxygen partial pressure, and the activity coefficient of oxidation product, were considered. For 45 elements that usually occur in aluminum products, the distribution ratios among the metal, slag, and gas phases in the aluminum remelting process were obtained. Our results show that, except for elements such as Mg and Zn, most of the impurities occurred as troublesome tramp elements that are difficult to remove, and our results also indicate that the extent to which the process parameters such as oxygen partial pressure, temperature, and flux composition can be changed in aluminum production is quite limited compared to that for iron and copper production, owing to aluminum's relatively low melting point and strong affinity for oxygen. Therefore, the control of impurities in the disassembly process and the quality of scrap play important roles in suppressing contamination in aluminum recycling.

  7. Programming the finite element method

    CERN Document Server

    Smith, I M; Margetts, L

    2013-01-01

    Many students, engineers, scientists and researchers have benefited from the practical, programming-oriented style of the previous editions of Programming the Finite Element Method, learning how to develop computer programs to solve specific engineering problems using the finite element method. This new fifth edition offers timely revisions that include programs and subroutine libraries fully updated to Fortran 2003, which are freely available online, and provides updated material on advances in parallel computing, thermal stress analysis, plasticity return algorithms, convection boundary c

  8. Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data

    Science.gov (United States)

    Wolery, Thomas J.; Jové Colón, Carlos F.

    2017-09-01

    Chemical thermodynamic data remain a keystone for geochemical modeling and reactive transport simulation as applied to an increasing number of applications in the earth sciences, as well as applications in other areas including metallurgy, material science, and industrial process design. The last century has seen the development of a large body of thermodynamic data and a number of major compilations. The past several decades have seen the development of thermodynamic databases in digital form designed to support computer calculations. However, problems with thermodynamic data appear to be persistent. One problem pertains to the use of inconsistent primary key reference data. Such data pertain to elemental reference forms and key, stoichiometrically simple chemical species including metal oxides, CO2, water, and aqueous species such as Na+ and Cl-. A consistent set of primary key data (standard Gibbs energies, standard enthalpies, and standard entropies for key chemical species) for 298.15 K and 1 bar pressure is essential. Thermochemical convention is to define the standard Gibbs energy and the standard enthalpy of an individual chemical species in terms of formation from reference forms of the constituent chemical elements. We propose a formal concept of ;links; to the elemental reference forms. This concept involves a documented understanding of all reactions and calculations leading to values for a formation property (standard Gibbs energy or enthalpy). A valid link consists of two parts: (a) the path of reactions and corrections and (b) the associated data, which are key data. Such a link differs from a bare ;key; or ;reference; datum in that it requires additional information. Some or all of its associated data may also be key data. In evaluating a reported thermodynamic datum, one should identify the links to the chemical elements, a process which can be time-consuming and which may lead to a dead end (an incomplete link). The use of two or more inconsistent

  9. Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, Thomas J.; Jové Colón, Carlos F.

    2017-09-01

    Chemical thermodynamic data remain a keystone for geochemical modeling and reactive transport simulation as applied to an increasing number of applications in the earth sciences, as well as applications in other areas including metallurgy, material science, and industrial process design. The last century has seen the development of a large body of thermodynamic data and a number of major compilations. The past several decades have seen the development of thermodynamic databases in digital form designed to support computer calculations. However, problems with thermodynamic data appear to be persistent. One problem pertains to the use of inconsistent primary key reference data. Such data pertain to elemental reference forms and key, stoichiometrically simple chemical species including metal oxides, CO2, water, and aqueous species such as Na+ and Cl-. A consistent set of primary key data (standard Gibbs energies, standard enthalpies, and standard entropies for key chemical species) for 298.15 K and 1 bar pressure is essential. Thermochemical convention is to define the standard Gibbs energy and the standard enthalpy of an individual chemical species in terms of formation from reference forms of the constituent chemical elements. We propose a formal concept of “links” to the elemental reference forms. This concept involves a documented understanding of all reactions and calculations leading to values for a formation property (standard Gibbs energy or enthalpy). A valid link consists of two parts: (a) the path of reactions and corrections and (b) the associated data, which are key data. Such a link differs from a bare “key” or “reference” datum in that it requires additional information. Some or all of its associated data may also be key data. In evaluating a reported thermodynamic datum, one should identify the links to the chemical elements, a process which can be time-consuming and which may lead to a dead end (an incomplete link). The use of two or more

  10. Thermodynamics

    CERN Document Server

    Fermi, Enrico

    1956-01-01

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

  11. Thermodynamic analysis of the elements interaction in liquid copper melts

    Energy Technology Data Exchange (ETDEWEB)

    Samoylova, O V; Mikhaylov, G G [South Urals State University, 76 Lenin avenue, Chelyabinsk, 454080 (Russian Federation); Trofimov, E A [Zlatoust Branch, South Urals State University, 16 Turgenev street, Zlatoust, 456209 (Russian Federation)], E-mail: tea7510@rambler.ru

    2008-02-15

    Interaction between impurity elements (in particular, Si, Ni and O) dissolved in copper melt has been investigated experimentally and theoretically. The X-rays microanalysis has been used to investigate reactions products in the melt. Experimental results have allowed to determine conditions of various complex compounds formation. In particular, interaction between Si and Ni in copper melt leading to formation of double compounds (silicides) has been discovered. Phase diagram of Cu{sub 2}O-NiO system has been calculated. Calculation results are in good agreement with literary data. Activities a{sub Cu2O} and a{sub NiO} have been calculated. The deviation of activity from Raoult law is negative for Cu{sub 2}O and positive for NiO.

  12. Massively Parallel Finite Element Programming

    KAUST Repository

    Heister, Timo

    2010-01-01

    Today\\'s large finite element simulations require parallel algorithms to scale on clusters with thousands or tens of thousands of processor cores. We present data structures and algorithms to take advantage of the power of high performance computers in generic finite element codes. Existing generic finite element libraries often restrict the parallelization to parallel linear algebra routines. This is a limiting factor when solving on more than a few hundreds of cores. We describe routines for distributed storage of all major components coupled with efficient, scalable algorithms. We give an overview of our effort to enable the modern and generic finite element library deal.II to take advantage of the power of large clusters. In particular, we describe the construction of a distributed mesh and develop algorithms to fully parallelize the finite element calculation. Numerical results demonstrate good scalability. © 2010 Springer-Verlag.

  13. Thermodynamic description of performance characteristics pneumatic elastic elements with rubber-cord envelopes

    Science.gov (United States)

    Korneev, S. A.; Korneev, V. S.; Adonin, V. A.

    2017-08-01

    The thermodynamic computational method of pneumatic elements with rubber-cord envelopes geometrical and power characteristics of the different designs used in a buffer systems and the industrial facilities vibro protection, including, petrochemical and oil and gas production is explained. The record of rubber-cord envelope resilient deformation allowed to obtain the valid data having important applied meaning. Temperature effect is reflected in the received defining ratios.

  14. Explicit Instruction Elements in Core Reading Programs

    OpenAIRE

    Child, Angela R.

    2012-01-01

    Classroom teachers are provided instructional recommendations for teaching reading from their adopted core reading programs (CRPs). Explicit instruction elements or what is also called instructional moves, including direct explanation, modeling, guided practice, independent practice, discussion, feedback, and monitoring, were examined within CRP reading lessons. This study sought to answer the question: What elements of explicit instruction or instructional moves are included in the five most...

  15. Writing analytic element programs in Python.

    Science.gov (United States)

    Bakker, Mark; Kelson, Victor A

    2009-01-01

    The analytic element method is a mesh-free approach for modeling ground water flow at both the local and the regional scale. With the advent of the Python object-oriented programming language, it has become relatively easy to write analytic element programs. In this article, an introduction is given of the basic principles of the analytic element method and of the Python programming language. A simple, yet flexible, object-oriented design is presented for analytic element codes using multiple inheritance. New types of analytic elements may be added without the need for any changes in the existing part of the code. The presented code may be used to model flow to wells (with either a specified discharge or drawdown) and streams (with a specified head). The code may be extended by any hydrogeologist with a healthy appetite for writing computer code to solve more complicated ground water flow problems. Copyright © 2009 The Author(s). Journal Compilation © 2009 National Ground Water Association.

  16. Explicit Instruction Elements in Core Reading Programs

    Science.gov (United States)

    Child, Angela R.

    2012-01-01

    Classroom teachers are provided instructional recommendations for teaching reading from their adopted core reading programs (CRPs). Explicit instruction elements or what is also called instructional moves, including direct explanation, modeling, guided practice, independent practice, discussion, feedback, and monitoring, were examined within CRP…

  17. Elements of an Employee Motivation Program

    Science.gov (United States)

    Ward, Ernest H.

    1974-01-01

    Ten elements which should be present in an employee motivation program are discussed in the context of achieving increased acceptance of organizational goals. They are: participation, performance measurement, knowledge of results, recognition; attitude measurement, communication, publicity, work assignment, work research, and supervisor motivation…

  18. The development of a volume element model for energy systems engineering and integrative thermodynamic optimization

    Science.gov (United States)

    Yang, Sam

    The dissertation presents the mathematical formulation, experimental validation, and application of a volume element model (VEM) devised for modeling, simulation, and optimization of energy systems in their early design stages. The proposed model combines existing modeling techniques and experimental adjustment to formulate a reduced-order model, while retaining sufficient accuracy to serve as a practical system-level design analysis and optimization tool. In the VEM, the physical domain under consideration is discretized in space using lumped hexahedral elements (i.e., volume elements), and the governing equations for the variable of interest are applied to each element to quantify diverse types of flows that cross it. Subsequently, a system of algebraic and ordinary differential equations is solved with respect to time and scalar (e.g., temperature, relative humidity, etc.) fields are obtained in both spatial and temporal domains. The VEM is capable of capturing and predicting dynamic physical behaviors in the entire system domain (i.e., at system level), including mutual interactions among system constituents, as well as with their respective surroundings and cooling systems, if any. The VEM is also generalizable; that is, the model can be easily adapted to simulate and optimize diverse systems of different scales and complexity and attain numerical convergence with sufficient accuracy. Both the capability and generalizability of the VEM are demonstrated in the dissertation via thermal modeling and simulation of an Off-Grid Zero Emissions Building, an all-electric ship, and a vapor compression refrigeration (VCR) system. Furthermore, the potential of the VEM as an optimization tool is presented through the integrative thermodynamic optimization of a VCR system, whose results are used to evaluate the trade-offs between various objective functions, namely, coefficient of performance, second law efficiency, pull-down time, and refrigerated space temperature, in

  19. Elements of programming interviews the insider's guide

    CERN Document Server

    Aziz, Adnan; Prakash, Amit

    2015-01-01

    This is a larger-format version of Elements of Programming Interviews. The language is C++. Specifically, the font size is larger, and the page size is 7"x10" (the regular format uses 6"x9"). The content is identical. Have you ever... Wanted to work at an exciting futuristic company? Struggled with an interview problem that could have been solved in 15 minutes? Wished you could study real-world computing problems? If so, you need to read Elements of Programming Interviews (EPI). EPI is your comprehensive guide to interviewing for software development roles. The core of EPI is a collection of over 250 problems with detailed solutions. The problems are representative of interview questions asked at leading software companies. The problems are illustrated with 200 figures, 300 tested programs, and 150 additional variants. The book begins with a summary of the nontechnical aspects of interviewing, such as strategies for a great interview, common mistakes, perspectives from the other side of the table,...

  20. Thermodynamic anomalous Hall effect in quantum oscillation regime in a semiconductor with low concentration of transition element impurities

    Science.gov (United States)

    Lonchakov, A. T.; Okulov, V. I.; Pamyatnykh, E. A.; Bobin, S. B.; Deryushkin, V. V.; Govorkova, T. E.; Neverov, V. N.; Paranchich, L. D.

    2017-10-01

    The given report is devoted to the study of anomalous Hall resistance of donor electron system of hybridized states of transition element impurities of low concentration in quantum oscillation regime. There presented theoretical description of predicted specific behaviors on the base of the ideas about thermodynamic anomalous Hall effect. In experiments on mercury selenide crystals with cobalt impurities of low concentration one revealed the quantum oscillations of anomalous contribution to the Hall resistance corresponding to the developed concepts.

  1. Space Radiation Program Element Tissue Sharing Forum

    Science.gov (United States)

    Wu, H.; Mayeaux, B M.; Huff, J. L.; Simonsen, L. C.

    2016-01-01

    Over the years, a large number of animal experiments have been conducted at the NASA Space Radiation Laboratory and other facilities under the support of the NASA Space Radiation Program Element (SRPE). Studies using rodents and other animal species to address the space radiation risks will remain a significant portion of the research portfolio of the Element. In order to maximize scientific return of the animal studies, the SRPE has recently released the Space Radiation Tissue Sharing Forum. The Forum provides access to an inventory of investigator-stored tissue samples and enables both NASA SRPE members and NASA-funded investigators to exchange information regarding stored and future radiobiological tissues available for sharing. Registered users may review online data of available tissues, inquire about tissues posted, or request tissues for an upcoming study using an online form. Investigators who have upcoming sacrifices are also encouraged to post the availability of samples using the discussion forum. A brief demo of the forum will be given during the presentation

  2. 40 CFR 145.22 - Elements of a program submission.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 22 2010-07-01 2010-07-01 false Elements of a program submission. 145.22 Section 145.22 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED) STATE UIC PROGRAM REQUIREMENTS State Program Submissions § 145.22 Elements of a...

  3. DEMONIC programming: a computational language for single-particle equilibrium thermodynamics, and its formal semantics.

    Directory of Open Access Journals (Sweden)

    Samson Abramsky

    2015-11-01

    Full Text Available Maxwell's Demon, 'a being whose faculties are so sharpened that he can follow every molecule in its course', has been the centre of much debate about its abilities to violate the second law of thermodynamics. Landauer's hypothesis, that the Demon must erase its memory and incur a thermodynamic cost, has become the standard response to Maxwell's dilemma, and its implications for the thermodynamics of computation reach into many areas of quantum and classical computing. It remains, however, still a hypothesis. Debate has often centred around simple toy models of a single particle in a box. Despite their simplicity, the ability of these systems to accurately represent thermodynamics (specifically to satisfy the second law and whether or not they display Landauer Erasure, has been a matter of ongoing argument. The recent Norton-Ladyman controversy is one such example. In this paper we introduce a programming language to describe these simple thermodynamic processes, and give a formal operational semantics and program logic as a basis for formal reasoning about thermodynamic systems. We formalise the basic single-particle operations as statements in the language, and then show that the second law must be satisfied by any composition of these basic operations. This is done by finding a computational invariant of the system. We show, furthermore, that this invariant requires an erasure cost to exist within the system, equal to kTln2 for a bit of information: Landauer Erasure becomes a theorem of the formal system. The Norton-Ladyman controversy can therefore be resolved in a rigorous fashion, and moreover the formalism we introduce gives a set of reasoning tools for further analysis of Landauer erasure, which are provably consistent with the second law of thermodynamics.

  4. 40 CFR 271.5 - Elements of a program submission.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Elements of a program submission. 271.5 Section 271.5 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES... Authorization § 271.5 Elements of a program submission. (a) Any State that seeks to administer a program under...

  5. 7 CFR 18.4 - Elements of program.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Elements of program. 18.4 Section 18.4 Agriculture Office of the Secretary of Agriculture EQUAL EMPLOYMENT OPPORTUNITY IN THE STATE COOPERATIVE EXTENSION SERVICES § 18.4 Elements of program. A satisfactory program shall include: (a) A statement of policy...

  6. Thermodynamic Considerations of Contamination by Alloying Elements of Remelted End-of-Life Nickel- and Cobalt-Based Superalloys

    Science.gov (United States)

    Lu, Xin; Matsubae, Kazuyo; Nakajima, Kenichi; Nakamura, Shinichiro; Nagasaka, Tetsuya

    2016-06-01

    Cobalt and nickel are high-value commodity metals and are mostly used in the form of highly alloyed materials. The alloying elements used may cause contamination problems during recycling. To ensure maximum resource efficiency, an understanding of the removability of these alloying elements and the controllability of some of the primary alloying elements is essential with respect to the recycling of end-of-life (EoL) nickel- and cobalt-based superalloys by remelting. In this study, the distribution behaviors of approximately 30 elements that are usually present in EoL nickel- and cobalt-based superalloys in the solvent metal (nickel, cobalt, or nickel-cobalt alloy), oxide slag, and gas phases during the remelting were quantitatively evaluated using a thermodynamic approach. The results showed that most of the alloying elements can be removed either in the slag phase or into the gas phase. However, the removal of copper, tin, arsenic, and antimony by remelting is difficult, and they remain as tramp elements during the recycling. On the other hand, the distribution tendencies of iron, molybdenum, and tungsten can be controlled by changing the remelting conditions. To increase the resource efficiency of recycling, preventing contamination by the tramp elements and identifying the alloying compositions of EoL superalloys are significantly essential, which will require the development of efficient prior alloy-sorting systems and advanced separation technologies.

  7. Fundamental Elements of Transition Program Design

    Science.gov (United States)

    Karmelita, Courtney

    2017-01-01

    Adult learners require supports and services to help them successfully transition into taking on the demands and expectations of college students. Transition programs have grown in popularity as a means to aid adult learners as they transition to higher education. Unfortunately, previous research on adult learner participation in transition…

  8. Are We There Yet? Applying Thermodynamic and Kinetic Profiling on Embryonic Ectoderm Development (EED) Hit-to-Lead Program.

    Science.gov (United States)

    Wang, Ying; Edalji, Rohinton P; Panchal, Sanjay C; Sun, Chaohong; Djuric, Stevan W; Vasudevan, Anil

    2017-10-26

    It is advocated that kinetic and thermodynamic profiling of bioactive compounds should be incorporated and utilized as complementary tools for hit and lead optimizations in drug discovery. To assess their applications in the EED hit-to-lead optimization process, large amount of thermodynamic and kinetic data were collected and analyzed via isothermal titration calorimetry (ITC) and surface plasmon resonance (SPR), respectively. Slower dissociation rates (k off ) of the lead compounds were observed as the program progressed. Analysis of the kinetic data indicated that compound cellular activity correlated with both K i and k off . Our analysis revealed that ITC data should be interpreted in the context of chiral purity of the compounds. The thermodynamic signatures of the EED aminopyrrolidine compounds were found to be mainly enthalpy driven with improved enthalpic contributions as the program progressed. Our study also demonstrated that significant challenges still exist in utilizing kinetic and thermodynamic parameters for hit selection.

  9. Tabulation of thermodynamic data for chemical reactions involving 58 elements common to radioactive waste package systems

    Energy Technology Data Exchange (ETDEWEB)

    Benson, L.V.; Teague, L.S.

    1980-08-01

    The rate of release and migration of radionuclides from a nuclear waste repository to the biosphere is dependent on chemical interactions between groundwater, the geologic host rock, and the radioactive waste package. For the purpose of this report, the waste package includes the wasteform, canister, overpack, and repository backfill. Chemical processes of interest include sorption (ion exchange), dissolution, complexation, and precipitation. Thermochemical data for complexation and precipitation calculations for 58 elements common to the radioactive waste package are presented. Standard free energies of formation of free ions, complexes, and solids are listed. Common logarithms of equilibrium constants (log K's) for speciation and precipitation reactions are listed. Unless noted otherwise, all data are for 298.15/sup 0/K and one atmosphere.

  10. Modeling of rolling element bearing mechanics. Computer program user's manual

    Science.gov (United States)

    Greenhill, Lyn M.; Merchant, David H.

    1994-10-01

    This report provides the user's manual for the Rolling Element Bearing Analysis System (REBANS) analysis code which determines the quasistatic response to external loads or displacement of three types of high-speed rolling element bearings: angular contact ball bearings, duplex angular contact ball bearings, and cylindrical roller bearings. The model includes the defects of bearing ring and support structure flexibility. It is comprised of two main programs: the Preprocessor for Bearing Analysis (PREBAN) which creates the input files for the main analysis program, and Flexibility Enhanced Rolling Element Bearing Analysis (FEREBA), the main analysis program. This report addresses input instructions for and features of the computer codes. A companion report addresses the theoretical basis for the computer codes. REBANS extends the capabilities of the SHABERTH (Shaft and Bearing Thermal Analysis) code to include race and housing flexibility, including such effects as dead band and preload springs.

  11. A Solution Methodology and Computer Program to Efficiently Model Thermodynamic and Transport Coefficients of Mixtures

    Science.gov (United States)

    Ferlemann, Paul G.

    2000-01-01

    A solution methodology has been developed to efficiently model multi-specie, chemically frozen, thermally perfect gas mixtures. The method relies on the ability to generate a single (composite) set of thermodynamic and transport coefficients prior to beginning a CFD solution. While not fundamentally a new concept, many applied CFD users are not aware of this capability nor have a mechanism to easily and confidently generate new coefficients. A database of individual specie property coefficients has been created for 48 species. The seven coefficient form of the thermodynamic functions is currently used rather then the ten coefficient form due to the similarity of the calculated properties, low temperature behavior and reduced CPU requirements. Sutherland laminar viscosity and thermal conductivity coefficients were computed in a consistent manner from available reference curves. A computer program has been written to provide CFD users with a convenient method to generate composite specie coefficients for any mixture. Mach 7 forebody/inlet calculations demonstrated nearly equivalent results and significant CPU time savings compared to a multi-specie solution approach. Results from high-speed combustor analysis also illustrate the ability to model inert test gas contaminants without additional computational expense.

  12. Thermodynamic Properties of Aqueous Carbonate Species and Solid Carbonate Phases of Selected Trace Elements pertinent to Drinking Water Standards of the U.S. Environmental Protection Agency

    Energy Technology Data Exchange (ETDEWEB)

    Apps, John A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wilkin, Richard T. [US Environmental Protection Agency (EPA), Cincinnati, OH (United States)

    2015-09-30

    This report contains a series of tables summarizing the thermodynamic properties of aqueous carbonate complexes and solid carbonate phases of the following elements: arsenic (As), barium (Ba), cadmium (Cd), chromium (Cr), cobalt (Co), copper (Cu), iron (Fe), lead (Pb), manganese (Mn), mercury (Hg), nickel (Ni) thallium (Tl), uranium (U) and zinc (Zn). Most of these elements are potentially hazardous as defined by extant primary drinking water standards of the United States Environmental Protection Agency (EPA). The remainder are not considered hazardous, but are either listed by EPA under secondary standards, or because they can adversely affect drinking water quality. Additional tables are included giving the thermodynamic properties for carbonates of the alkali metal and alkali earth elements, sodium (Na), potassium (K), magnesium (Mg), calcium (Ca), and strontium (Sr), because of their value in developing correlative models to estimate the thermodynamic properties of carbonate minerals for which no such data currently exist. The purpose in creating the tables in this report is to provide future investigators with a convenient source for selecting and tracing the sources of thermodynamic data of the above listed elements for use in modeling their geochemical behavior in “underground sources of drinking water” (USDW). The incentive for doing so lies with a heightened concern over the potential consequences of the proposed capture and storage of carbon dioxide (CO2) generated by fossil fuel fired power plants in deep subsurface reservoirs. If CO2 were to leak from such reservoirs, it could migrate upward and contaminate USDWs with undesirable, but undetermined, consequences to water quality. The EPA, Office of Research and Development, through an Interagency Agreement with the U.S. Department of Energy at the Lawrence Berkeley National Laboratory, funded the preparation of this report.

  13. The Intelligent Data Understanding Element of NASA's Intelligent Systems Program

    Science.gov (United States)

    Coughlan, Joseph C.; Tilton, James C.; Rood, Richard (Technical Monitor)

    2002-01-01

    Within the NASA Intelligent Systems Program, the Intelligent Data Understanding (IDU) element develops techniques for transforming data into scientific understanding. Automating such tools is critical for space science, space-based earth science, and planetary exploration with onboard scientific data analysis. Intelligent data understanding (IDU) is about extracting meaning from large, diverse science and engineering databases, via autonomous techniques that transform very large datasets into understanding. The earth science community in particular needs new tools for analyzing multi-formatted and geographically distributed datasets and for identifying cause-effect relationships in the complex data. Research within the IDU program element seeks to automate data analysis tasks so that humans can focus on creative hypothesis generation and knowledge synthesis. It may also enable NASA space missions in which autonomous agents must generate knowledge and take actions, and missions where limited bandwidth permits transmission of only the most interesting scientific observations, summaries, and conclusions. Twenty-seven research projects are-currently funded.

  14. Evaluation of a Nonlinear Finite Element Program - ABAQUS.

    Science.gov (United States)

    1983-03-15

    Elastic-plastic material and small deformation Material Properties: A Ramberg - Osgood stress-strain curve was assumed to represent the strain-hardening...NONLINEAR FINITE ELEMENT PROGRAM - ABAQUS T. Y. Chang S. M. Wang Department of Civil Engineering The University of Akron Akron, Ohio 44325 August 1, 1982... ABAQUS T. Y. Chang S. M. Wang Department of Civil Engineering The University of Akron Akron, Ohio 44325 August 1, 1982 (Revised on March 15, 1983

  15. Binary Phase Diagrams and Thermodynamic Properties of Silicon and Essential Doping Elements (Al, As, B, Bi, Ga, In, N, P, Sb and Tl)

    Science.gov (United States)

    Mostafa, Ahmad; Medraj, Mamoun

    2017-01-01

    Fabrication of solar and electronic silicon wafers involves direct contact between solid, liquid and gas phases at near equilibrium conditions. Understanding of the phase diagrams and thermochemical properties of the Si-dopant binary systems is essential for providing processing conditions and for understanding the phase formation and transformation. In this work, ten Si-based binary phase diagrams, including Si with group IIIA elements (Al, B, Ga, In and Tl) and with group VA elements (As, Bi, N, P and Sb), have been reviewed. Each of these systems has been critically discussed on both aspects of phase diagram and thermodynamic properties. The available experimental data and thermodynamic parameters in the literature have been summarized and assessed thoroughly to provide consistent understanding of each system. Some systems were re-calculated to obtain a combination of the best evaluated phase diagram and a set of optimized thermodynamic parameters. As doping levels of solar and electronic silicon are of high technological importance, diffusion data has been presented to serve as a useful reference on the properties, behavior and quantities of metal impurities in silicon. This paper is meant to bridge the theoretical understanding of phase diagrams with the research and development of solar-grade silicon production, relying on the available information in the literature and our own analysis. PMID:28773034

  16. Binary Phase Diagrams and Thermodynamic Properties of Silicon and Essential Doping Elements (Al, As, B, Bi, Ga, In, N, P, Sb and Tl).

    Science.gov (United States)

    Mostafa, Ahmad; Medraj, Mamoun

    2017-06-20

    Fabrication of solar and electronic silicon wafers involves direct contact between solid, liquid and gas phases at near equilibrium conditions. Understanding of the phase diagrams and thermochemical properties of the Si-dopant binary systems is essential for providing processing conditions and for understanding the phase formation and transformation. In this work, ten Si-based binary phase diagrams, including Si with group IIIA elements (Al, B, Ga, In and Tl) and with group VA elements (As, Bi, N, P and Sb), have been reviewed. Each of these systems has been critically discussed on both aspects of phase diagram and thermodynamic properties. The available experimental data and thermodynamic parameters in the literature have been summarized and assessed thoroughly to provide consistent understanding of each system. Some systems were re-calculated to obtain a combination of the best evaluated phase diagram and a set of optimized thermodynamic parameters. As doping levels of solar and electronic silicon are of high technological importance, diffusion data has been presented to serve as a useful reference on the properties, behavior and quantities of metal impurities in silicon. This paper is meant to bridge the theoretical understanding of phase diagrams with the research and development of solar-grade silicon production, relying on the available information in the literature and our own analysis.

  17. Stochastic thermodynamics

    Science.gov (United States)

    Eichhorn, Ralf; Aurell, Erik

    2014-04-01

    theory for small deviations from equilibrium, in which a general framework is constructed from the analysis of non-equilibrium states close to equilibrium. In a next step, Prigogine and others developed linear irreversible thermodynamics, which establishes relations between transport coefficients and entropy production on a phenomenological level in terms of thermodynamic forces and fluxes. However, beyond the realm of linear response no general theoretical results were available for quite a long time. This situation has changed drastically over the last 20 years with the development of stochastic thermodynamics, revealing that the range of validity of thermodynamic statements can indeed be extended deep into the non-equilibrium regime. Early developments in that direction trace back to the observations of symmetry relations between the probabilities for entropy production and entropy annihilation in non-equilibrium steady states [5-8] (nowadays categorized in the class of so-called detailed fluctuation theorems), and the derivations of the Bochkov-Kuzovlev [9, 10] and Jarzynski relations [11] (which are now classified as so-called integral fluctuation theorems). Apart from its fundamental theoretical interest, the developments in stochastic thermodynamics have experienced an additional boost from the recent experimental progress in fabricating, manipulating, controlling and observing systems on the micro- and nano-scale. These advances are not only of formidable use for probing and monitoring biological processes on the cellular, sub-cellular and molecular level, but even include the realization of a microscopic thermodynamic heat engine [12] or the experimental verification of Landauer's principle in a colloidal system [13]. The scientific program Stochastic Thermodynamics held between 4 and 15 March 2013, and hosted by The Nordic Institute for Theoretical Physics (Nordita), was attended by more than 50 scientists from the Nordic countries and elsewhere, amongst them

  18. 49 CFR 350.109 - What are the national program elements?

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 5 2010-10-01 2010-10-01 false What are the national program elements? 350.109... COMMERCIAL MOTOR CARRIER SAFETY ASSISTANCE PROGRAM General § 350.109 What are the national program elements? The national program elements include the following five activities: (a) Driver/vehicle inspections...

  19. Repetitive elements dynamics in cell identity programming, maintenance and disease

    KAUST Repository

    Bodega, Beatrice

    2014-12-01

    The days of \\'junk DNA\\' seem to be over. The rapid progress of genomics technologies has been unveiling unexpected mechanisms by which repetitive DNA and in particular transposable elements (TEs) have evolved, becoming key issues in understanding genome structure and function. Indeed, rather than \\'parasites\\', recent findings strongly suggest that TEs may have a positive function by contributing to tissue specific transcriptional programs, in particular as enhancer-like elements and/or modules for regulation of higher order chromatin structure. Further, it appears that during development and aging genomes experience several waves of TEs activation, and this contributes to individual genome shaping during lifetime. Interestingly, TEs activity is major target of epigenomic regulation. These findings are shedding new light on the genome-phenotype relationship and set the premises to help to explain complex disease manifestation, as consequence of TEs activity deregulation.

  20. NASA'S Water Resources Element Within the Applied Sciences Program

    Science.gov (United States)

    Toll, David; Doorn, Bradley; Engman, Edwin

    2010-01-01

    The NASA Applied Sciences Program works within NASA Earth sciences to leverage investment of satellite and information systems to increase the benefits to society through the widest practical use of NASA research results. Such observations provide a huge volume of valuable data in both near-real-time and extended back nearly 50 years about the Earth's land surface conditions such as land cover type, vegetation type and health, precipitation, snow, soil moisture, and water levels and radiation. Observations of this type combined with models and analysis enable satellite-based assessment of numerous water resources management activities. The primary goal of the Earth Science Applied Science Program is to improve future and current operational systems by infusing them with scientific knowledge of the Earth system gained through space-based observation, model results, and development and deployment of enabling technologies, systems, and capabilities. Water resources is one of eight elements in the Applied Sciences Program and it addresses concerns and decision making related to water quantity and water quality. With increasing population pressure and water usage coupled with climate variability and change, water issues are being reported by numerous groups as the most critical environmental problems facing us in the 21st century. Competitive uses and the prevalence of river basins and aquifers that extend across boundaries engender political tensions between communities, stakeholders and countries. Mitigating these conflicts and meeting water demands requires using existing resources more efficiently. The potential crises and conflicts arise when water is competed among multiple uses. For example, urban areas, environmental and recreational uses, agriculture, and energy production compete for scarce resources, not only in the Western U.S. but throughout much of the U.S. but also in many parts of the world. In addition to water availability issues, water quality related

  1. Acquisition Program Transition Workshops: An Element of the DSMC Program Manager Mission Assistance Capability

    Science.gov (United States)

    2011-10-01

    Acquisition Sustainment =Decision Point =Milestone Review =Decision Point if PDR is not conducted before Milestone B ProgramA B Initiation) C IOC FOC...workshop deteriorating into a social event. 5.4 Further Detail Appendix A, Module 0, contains detailed planning elements for the pre-workshop agenda...brief Joint Charter, Issues and Actions PMs Establish Workshop Action Items Figure 5-1 Workshop Participants— More Attendees Means Program Socialization

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1982-08-01

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

  3. Robotic Surgery Simulator: Elements to Build a Training Program.

    Science.gov (United States)

    Tillou, Xavier; Collon, Sylvie; Martin-Francois, Sandrine; Doerfler, Arnaud

    2016-01-01

    Face, content, and construct validity of robotic surgery simulators were confirmed in the literature by several studies, but elements to build a training program are still lacking. The aim of our study was to validate a progressive training program and to assess according to prior surgical experience the amount of training needed with a robotic simulator to complete the program. Exercises using the Da Vinci Skill Simulator were chosen to ensure progressive learning. A new exercise could only be started if a minimal score of 80% was achieved in the prior one. The number of repetitions to achieve an exercise was not limited. We devised a "performance index" by calculating the ratio of the sum of scores for each exercise over the number of repetitions needed to complete the exercise with at least an 80% score. The study took place at the François Baclesse Cancer Center. Participants all work at the primary care university Hospital located next to the cancer center. A total of 32 surgeons participated in the study- 2 experienced surgeons, 8 junior and 8 senior residents in surgery, 6 registrars, and 6 attending surgeons. There was no difference between junior and senior residents, whereas the registrars had better results (p surgery console in a specific and progressive order enables rapid progress. The level of prior experience in laparoscopic surgery affects outcomes. More advanced laparoscopic expertise seems to slow down learning, surgeons having to "unlearn" to acquire a new technique. Copyright © 2016 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

  4. Effectiveness and Successful Program Elements of SOAR’s Afterschool Programs

    Directory of Open Access Journals (Sweden)

    Janet L. Johnson

    2007-03-01

    Full Text Available Project SOAR provided after-school programs that afforded expanded learning opportunities to help students succeed in local public schools and to contribute to the general welfare of the community. Program components focused on building students’ academic skills and positive attitudes, aided by teachers, mentors, parent education, and local agencies. Instructional programs were conducted to help reduce drug use and violence. Activities included academic assistance, technology training, mentoring, service learning projects, and education in life skills and the arts. Parent involvement was encouraged. Behavioral and academic outcomes—especially at the high school level—were analyzed to determine program effectiveness regarding academic achievement, dropout rates, and rates and frequency of suspensions. Successful program elements and strategies are noted.

  5. National Waste Terminal Storage Program: critical element management concept. Volume I. Management summary

    Energy Technology Data Exchange (ETDEWEB)

    1977-05-01

    CEM is oriented towards identifying, quantifying and curtailing probable impediments to a program originating from both the internal and external program environments. Critical elements are defined as events, trends or conditions that could generate potential uncertainties in the program. The critical elements are broken down into components against which management action is initiated.

  6. 40 CFR 501.11 - Elements of a sludge management program submission.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Elements of a sludge management program submission. 501.11 Section 501.11 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Programs § 501.11 Elements of a sludge management program submission. (a) Any State that seeks to...

  7. Thermodynamic calculation and observation of microstructural change in Ni-Mo-Cr high strength low alloy RPV steels with alloying elements

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sang Gyu; Wee, Dang Moon [Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of); Kim, Min Chul; Lee, Bong Sang [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2008-12-15

    An effective way of increasing the strength and fracture toughness of reactor pressure vessel steels is to change the material specification from that of Mn-Mo-Ni low alloy steel (SA508 Gr.3) to Ni-Mo-Cr low alloy steel(SA508 Cr.4N). In this study, we evaluate the effects of alloying elements on the microstructural characteristics of Ni-Mo-Cr low alloy steel. The changes in the stable phase of the SA508 Gr.4N low alloy steel with alloying elements were evaluated by means of a thermodynamic calculation conducted with the software ThermoCalc. The changes were then compared with the observed microstructural results. The calculation of Ni-Mo-Cr low alloy steels confirms that the ferrite formation temperature decreases as the Ni content increases because of the austenite stabilization effect. Consequently, in the microscopic observation, the lath martensitic structure becomes finer as the Ni content increases. However, Ni does not affect the carbide phases such as M{sub 23}C{sub 6} and M{sub 7}C{sub 3}. When the Cr content decreases, the carbide phases become unstable and carbide coarsening can be observed. With an increase in the Mo content, the M{sub 2}C phase becomes stable instead of the M{sub 7}C{sub 3} phase. This behavior is also observed in TEM. From the calculation results and the observation results of the microstructure, the thermodynamic calculation can be used to predict the precipitation behavior.

  8. Quantifying garnet-melt trace element partitioning using lattice-strain theory: New crystal-chemical and thermodynamic constraints

    NARCIS (Netherlands)

    van Westrenen, W.; Draper, D.S.

    2007-01-01

    Many geochemical models of major igneous differentiation events on the Earth, the Moon, and Mars invoke the presence of garnet or its high-pressure majoritic equivalent as a residual phase, based on its ability to fractionate critical trace element pairs (Lu/Hf, U/Th, heavy REE/light REE). As a

  9. Evaluation of Thermodynamic Stable Phase and Microstructure of SA508 Gr.4N Model Alloys for Reactor Pressure Vessel Steel with Variation of Alloying Elements

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Mim Chul; Lee, B. S

    2009-12-15

    In order to increase the strength and the fracture toughness of RPV(reactor pressure vessel) steels, an effective way is the change of material specification from Mn-Mo-Ni low alloy steel(SA508 Gr.3) into Ni-Mo-Cr low alloy steel(SA508 Gr.4N). In this study, we evaluate the effects of alloying elements on microstructural characteristics in Ni-Mo-Cr low alloy steel. The changes in stable phase of SA508 Gr.4N low alloy steel with alloying elements were evaluated using a thermodynamic calculation by ThermoCalc software, and then compared with its microstructural observation results. From the calculation of Ni-Mo-Cr low alloy steels, ferrite formation temperature were decreased with increasing Ni and Mn contents due to austenite stabilization effect. Consequently, in the microscopic observation, the microstructure became finer with increasing Ni and Mn contents. However, they does not affects the carbide phase such as M{sub 23}C{sub 6} and M{sub 7}C{sub 3}. When the content of Cr is decreased, carbide phases became unstable and carbide coarsening is observed. With increase of Mo content, M{sub 2}C phase become stable instead of M{sub 7}C{sub 3} and it also observed in the TEM.

  10. Thermodynamic estimation of minor element distribution between immiscible liquids in Fe-Cu-based metal phase generated in melting treatment of municipal solid wastes.

    Science.gov (United States)

    Lu, X; Nakajima, K; Sakanakura, H; Matsubae, K; Bai, H; Nagasaka, T

    2012-06-01

    Waste electrical and electronic equipment (WEEE) has become an important target in managing material cycles from the viewpoint of not only waste management and control of environmental pollution but also resource conservation. This study investigated the distribution tendency of trace elements in municipal solid waste (MSW) or incinerator ash, including valuable non-ferrous metals (Ni, Co, Cr, Mn, Mo, Ti, V, W, Zr), precious group metals (PGMs) originated from WEEE (Ag, Au, Pd, Pt), and others (Al, B, Pb, Si), between Fe-rich and Cu-rich metal phases by means of simple thermodynamic calculations. Most of the typical alloying elements for steel (Co, Cr, Mo, Nb, Ni, Si, Ti, V, and W) and Rh were preferentially distributed into the Fe-rich phase. PGMs, such as Au, Ag, and Pd, were enriched in the Cu-rich phase, whereas Pt was almost equally distributed into both phases. Since the primary metallurgical processing of Cu is followed by an electrolysis for refining, and since PGMs in crude copper have been industrially recovered from the resulting anode slime, our results indicated that Ag, Au, and Pd could be effectively recovered from MSW if the Cu-rich phase could be selectively collected. Copyright © 2012 Elsevier Ltd. All rights reserved.

  11. RNA Thermodynamic Structural Entropy.

    Science.gov (United States)

    Garcia-Martin, Juan Antonio; Clote, Peter

    2015-01-01

    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  12. RNA Thermodynamic Structural Entropy.

    Directory of Open Access Journals (Sweden)

    Juan Antonio Garcia-Martin

    Full Text Available Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs. However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  13. 49 CFR 452.9 - Elements of a continuous examination program.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 6 2010-10-01 2010-10-01 false Elements of a continuous examination program. 452.9 Section 452.9 Transportation Other Regulations Relating to Transportation (Continued) COAST GUARD... Elements of a continuous examination program. (a) Examinations required by § 452.7 must conform to the...

  14. 36 CFR 1223.14 - What elements must a vital records program include?

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false What elements must a vital... RECORDS ADMINISTRATION RECORDS MANAGEMENT MANAGING VITAL RECORDS § 1223.14 What elements must a vital records program include? To achieve compliance with this section, an agency's vital records program must...

  15. 41 CFR 102-118.330 - What are the elements of an acceptable prepayment audit program?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What are the elements of... Approved Program § 102-118.330 What are the elements of an acceptable prepayment audit program? An... before payment; (b) Comply with the Prompt Payment Act (31 U.S.C. 3901, et seq.); (c) Allow for your...

  16. 49 CFR 192.911 - What are the elements of an integrity management program?

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 3 2010-10-01 2010-10-01 false What are the elements of an integrity management... Transmission Pipeline Integrity Management § 192.911 What are the elements of an integrity management program? An operator's initial integrity management program begins with a framework (see § 192.907) and...

  17. 01010000 01001100 01000001 01011001: Play Elements in Computer Programming

    Science.gov (United States)

    Breslin, Samantha

    2013-01-01

    This article explores the role of play in human interaction with computers in the context of computer programming. The author considers many facets of programming including the literary practice of coding, the abstract design of programs, and more mundane activities such as testing, debugging, and hacking. She discusses how these incorporate the…

  18. BLAKE - A Thermodynamics Code Based on TIGER: Users' Guide to the Revised Program

    National Research Council Canada - National Science Library

    Freedman, Eli

    1998-01-01

    .... This code, which was derived from the original version of SRI's TIGER program, is intended primarily for making calculations on the combustion products from conventional military and electrically...

  19. Phase 1 user instruction manual. A geological formation - drill string dynamic interaction finite element program (GEODYN)

    Energy Technology Data Exchange (ETDEWEB)

    Tinianow, M.A.; Rotelli, R.L. Jr.; Baird, J.A.

    1984-06-01

    User instructions for the GEODYN Interactive Finite Element Computer Program are presented. The program is capable of performing the analysis of the three-dimensional transient dynamic response of a Polycrystalline Diamond Compact Bit - Bit Sub arising from the intermittent contact of the bit with the downhole rock formations. The program accommodates non-linear, time dependent, loading and boundary conditions.

  20. Geological formation - drill string dynamic interaction finite-element program (GEODYN). Phase 1. Theoretical description

    Energy Technology Data Exchange (ETDEWEB)

    Baird, J.A.; Apostal, M.C.; Rotelli, R.L. Jr.; Tinianow, M.A.; Wormley, D.N.

    1984-06-01

    The Theoretical Description for the GEODYN interactive finite-element computer program is presented. The program is capable of performing the analysis of the three-dimensional transient dynamic response of a Polycrystalline Diamond Compact Bit-Bit Sub arising from the intermittent contact of the bit with the downhole rock formations. The program accommodates nonlinear, time-dependent, loading and boundary conditions.

  1. An Interactive Preprocessor Program with Graphics for a Three-Dimensional Finite Element Code.

    Science.gov (United States)

    Hamilton, Claude Hayden, III

    The development and capabilities of an interactive preprocessor program with graphics for an existing three-dimensional finite element code is presented. This preprocessor program, EDGAP3D, is designed to be used in conjunction with the Texas Three Dimensional Grain Analysis Program (TXCAP3D). The code presented in this research is capable of the…

  2. Steps to a HealthierUS Cooperative Agreement Program: foundational elements for program evaluation planning, implementation, and use of findings.

    Science.gov (United States)

    MacDonald, Goldie; Garcia, Danyael; Zaza, Stephanie; Schooley, Michael; Compton, Don; Bryant, Terry; Bagnol, Lulu; Edgerly, Cathy; Haverkate, Rick

    2006-01-01

    The Steps to a HealthierUS Cooperative Agreement Program (Steps Program) enables funded communities to implement chronic disease prevention and health promotion efforts to reduce the burden of diabetes, obesity, asthma, and related risk factors. At both the national and community levels, investment in surveillance and program evaluation is substantial. Public health practitioners engaged in program evaluation planning often identify desired outcomes, related indicators, and data collection methods but may pay only limited attention to an overarching vision for program evaluation among participating sites. We developed a set of foundational elements to provide a vision of program evaluation that informs the technical decisions made throughout the evaluation process. Given the diversity of activities across the Steps Program and the need for coordination between national- and community-level evaluation efforts, our recommendations to guide program evaluation practice are explicit yet leave room for site-specific context and needs. Staff across the Steps Program must consider these foundational elements to prepare a formal plan for program evaluation. Attention to each element moves the Steps Program closer to well-designed and complementary plans for program evaluation at the national, state, and community levels.

  3. Modern engineering thermodynamics

    CERN Document Server

    Balmer, Robert T

    2010-01-01

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

  4. Thermodynamic Properties of Actinides and Actinide Compounds

    Science.gov (United States)

    Konings, Rudy J. M.; Morss, Lester R.; Fuger, Jean

    The necessity of obtaining accurate thermodynamic quantities for the actinide elements and their compounds was recognized at the outset of the Manhattan Project, when a dedicated team of scientists and engineers initiated the program to exploit nuclear energy for military purposes. Since the end of World War II, both fundamental and applied objectives have motivated a great deal of further study of actinide thermodynamics. This chapter brings together many research papers and critical reviews on this subject. It also seeks to assess, to systematize, and to predict important properties of the actinide elements, ions, and compounds, especially for species in which there is significant interest and for which there is an experimental basis for the prediction.

  5. NASA'S Water Resources Element Within the Applied Sciences Program

    Science.gov (United States)

    Toll, David; Doorn, Bradley; Engman, Edwin

    2011-01-01

    The NASA Earth Systems Division has the primary responsibility for the Applied Science Program and the objective to accelerate the use of NASA science results in applications to help solve problems important to society and the economy. The primary goal of the NASA Applied Science Program is to improve future and current operational systems by infusing them with scientific knowledge of the Earth system gained through space-based observation, assimilation of new observations, and development and deployment of enabling technologies, systems, and capabilities. This paper discusses major problems facing water resources managers, including having timely and accurate data to drive their decision support tools. It then describes how NASA's science and space based satellites may be used to overcome this problem. Opportunities for the water resources community to participate in NASA's Water Resources Applications Program are described.

  6. The finite element analysis program MSC Marc/Mentat a first introduction

    CERN Document Server

    Öchsner, Andreas

    2016-01-01

    Based on simple examples, this book offers a short introduction to the general-purpose finite element program MSC Marc, a specialized program for non-linear problems (implicit solver) distributed by the MSC Software Corporation, which is commonly used in academia and industry. Today the documentation of all finite element programs includes a variety of step-by-step examples of differing complexity, and in addition, all software companies offer professional workshops on different topics. As such, rather than competing with these, the book focuses on providing simple examples, often single-element problems, which can easily be related to the theory that is discussed in finite element lectures. This makes it an ideal companion book to classical introductory courses on the finite element method.

  7. Extended thermodynamics

    CERN Document Server

    Müller, Ingo

    1993-01-01

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

  8. Elements of Quality in Agricultural Business Education Programs

    OpenAIRE

    Scott, Donald F.; Dobson, William D.

    1988-01-01

    This paper describes strategies for developing quality agribusiness management educational programs that include appropriate amounts of management and marketing subject matter, emphasize lifelong learning, avoid weak options, avoid mistakes made by business schools in the accreditation process, and hold potential for reversing the decline in undergraduate enrollments in agricultural economics.

  9. Snakes Have Feelings, Too: Elements of a Camp Snake Program.

    Science.gov (United States)

    Allen, Robert Ross

    2001-01-01

    A camp snake program can help campers overcome their fear of snakes, and people cannot truly enjoy nature when they carry a phobia about any one part of it. It can also help overcome prejudice by teaching truth and respect, instilling compassion, and helping campers develop empathy. Advice on catching, handling, identifying, keeping, and feeding…

  10. The Study Abroad Experience: A Crucial Element in Globalizing Business School Programs

    Science.gov (United States)

    Mangiero, George A.; Kraten, Michael

    2011-01-01

    Globalization is a fundamental reality of modern business practice. Participation in a study abroad program is a crucial element in helping students become well rounded global business leaders; it is an increasingly important element of a well rounded business curriculum. A semester or summer abroad, properly conceived and designed, can provide…

  11. Materials/manufacturing element of the Advanced Turbine Systems Program

    Energy Technology Data Exchange (ETDEWEB)

    Karnitz, M.A.; Holcomb, R.S.; Wright, I.G. [Oak Ridge National Lab., TN (United States)] [and others

    1995-10-01

    The technology based portion of the Advanced Turbine Systems Program (ATS) contains several subelements which address generic technology issues for land-based gas-turbine systems. One subelement is the Materials/Manufacturing Technology Program which is coordinated by DOE-Oak Ridge Operations and Oak Ridge National Laboratory (ORNL). The work in this subelement is being performed predominantly by industry with assistance from universities and the national laboratories. Projects in this subelement are aimed toward hastening the incorporation of new materials and components in gas turbines. A materials/manufacturing plan was developed in FY 1994 with input from gas turbine manufacturers, materials suppliers, universities, and government laboratories. The plan outlines seven major subelements which focus on materials issues and manufacturing processes. Work is currently under way in four of the seven major subelements. There are now major projects on coatings and process development, scale-up of single crystal airfoil manufacturing technology, materials characterization, and technology information exchange.

  12. Annual report of the wind characterisitics program element, April 1976--June 1977. [USA

    Energy Technology Data Exchange (ETDEWEB)

    Ramsdell, J. V.

    1977-07-01

    Battelle, Pacific Northwest Laboratories (PNL), has been providing technical and management support for the Wind Characteristics Program Element (WCPE) of the Wind Energy Conversion Program since April 1976. This first annual report to the Wind Systems Branch (WSB) of ERDA's Division of Solar Energy describes the technical progress within the Program Element from April 1976 through June 1977. Within the Wind Energy Conversion Program, the WCPE is a service element to provide information on wind characteristics to those involved in energy program planning, design and evaluation of performance of wind energy conversion systems(WECS), selection of sites for installation of WECS, and operation of WECS. To identify pertinent wind characteristics and collect and present that information in formats that are usable, the WCPE has been divided into four technical areas: Design and Performance Evaluation; Site Selection; Presiting Evaluation; and Planning and Operation.

  13. STARS: A general-purpose finite element computer program for analysis of engineering structures

    Science.gov (United States)

    Gupta, K. K.

    1984-01-01

    STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.

  14. General thermodynamics

    CERN Document Server

    Olander, Donald

    2007-01-01

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

  15. 10 CFR Appendix D to Part 436 - Energy Program Conservation Elements

    Science.gov (United States)

    2010-01-01

    ... 436 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION FEDERAL ENERGY MANAGEMENT AND PLANNING PROGRAMS Pt... present management systems incorporate these elements. (1) Top Management Control. Top management must have a personal and sustained commitment to the program, provide active direction and motivation, and...

  16. FOCUS: Essential Elements of Quality for State-Funded Preschool Programs

    Science.gov (United States)

    New Mexico Public Education Department, 2016

    2016-01-01

    The "FOCUS: Essential Elements of Quality, New Mexico's Tiered Quality Rating and Improvement System (TQRIS)," provides early childhood program personnel with the criteria, tools, and resources they need to improve the quality of their program. These quality improvements focus on children's growth, development, and learning--so that each…

  17. Rapid determination of thermodynamic parameters from one-dimensional programmed-temperature gas chromatography for use in retention time prediction in comprehensive multidimensional chromatography.

    Science.gov (United States)

    McGinitie, Teague M; Ebrahimi-Najafabadi, Heshmatollah; Harynuk, James J

    2014-01-17

    A new method for estimating the thermodynamic parameters of ΔH(T0), ΔS(T0), and ΔCP for use in thermodynamic modeling of GC×GC separations has been developed. The method is an alternative to the traditional isothermal separations required to fit a three-parameter thermodynamic model to retention data. Herein, a non-linear optimization technique is used to estimate the parameters from a series of temperature-programmed separations using the Nelder-Mead simplex algorithm. With this method, the time required to obtain estimates of thermodynamic parameters a series of analytes is significantly reduced. This new method allows for precise predictions of retention time with the average error being only 0.2s for 1D separations. Predictions for GC×GC separations were also in agreement with experimental measurements; having an average relative error of 0.37% for (1)tr and 2.1% for (2)tr. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Heavy Ion Inertial Fusion Energy: Summaries of Program Elements

    Energy Technology Data Exchange (ETDEWEB)

    Friedman, A; Barnard, J J; Kaganovich, I; Seidl, P A; Briggs, R J; Faltens, A; Kwan, J W; Lee, E P; Logan, B G

    2011-02-28

    The goal of the Heavy Ion Fusion (HIF) Program is to apply high-current accelerator technology to IFE power production. Ion beams of mass {approx}100 amu and kinetic energy {>=} 1 GeV provide efficient energy coupling into matter, and HIF enjoys R&D-supported favorable attributes of: (1) the driver, projected to be robust and efficient; see 'Heavy Ion Accelerator Drivers.'; (2) the targets, which span a continuum from full direct to full indirect drive (and perhaps fast ignition), and have metal exteriors that enable injection at {approx}10 Hz; see 'IFE Target Designs'; (3) the near-classical ion energy deposition in the targets; see 'Beam-Plasma Interactions'; (4) the magnetic final lens, robust against damage; see 'Final Optics-Heavy Ion Beams'; and (5) the fusion chamber, which may use neutronically-thick liquids; see 'Liquid-Wall Chambers.' Most studies of HIF power plants have assumed indirect drive and thick liquid wall protection, but other options are possible.

  19. Comparison of the applicability of commercial computer programs to study the thermodynamic stability of metal oxides; Vertailu kaupallisten laskentaohjelmien soveltuvuudesta metallioksidien termodynaamiseen stabiilisuustarkasteluun

    Energy Technology Data Exchange (ETDEWEB)

    Koukkari, P.; Olin, M. [VTT Chemical Technology, Espoo (Finland); Laitinen, T. [VTT Manufacturing Technology, Espoo (Finland); Sippola, H. [GEM Systems Oy (Finland)

    1999-04-01

    The oxide films formed on primary circuit surfaces incorporate radioactive species from the coolant and influence different corrosion phenomena in nuclear power plants. One approach to improve the understanding on the formation and properties of these oxide films is to evaluate their thermodynamic stability. The aim of this work was to compare and demonstrate the applicability of different commercial thermodynamic computer programs to model the deposition of oxides containing iron, chromium and/or nickel in various nuclear power plant environments. The programs considered in this evaluation comprised the EQ3/6 program and a product group including such products as ChemSage, HSC (including SOLGASMIX and GIBBS), H+PLUS and ChemSheet. In the group the transfer of data between different products is relatively easy. The goal was to find out which programs can be applied to evaluate the stability of oxide films, but not to assess the absolute accuracy of the calculations. The evaluation was done by means of applying the programs to calculate the stability of pure and mixed oxides of iron, nickel and chromium on stainless steel both in WWER and BWR conditions at different temperatures and coolant compositions. The comparison showed that EQ3/6 is suitable for most thermodynamic calculations. EQ3/6 can be characterised as a professional tool, for which no commercial training is available. ChemSage is a versatile and reliable program, which can be well used together with HSC and H+PLUS. ChemSage is mainly a professional tool, while HSC is easier to operate by an occasional user. Commercial training and support is available for both ChemSage and HSC. ChemSheet has been designed to utilise the properties of ChemSage in a user-friendly spreadsheet environment. All the products tested calculate thermodynamic equilibrium. Thus they are suitable to characterise such conditions in which the formation of a certain phase is or becomes possible. On the other hand, the modelling of the

  20. Atmospheric thermodynamics

    CERN Document Server

    Iribarne, J V

    1973-01-01

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

  1. Green thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Cengel, Y.A. [Nevada Univ., Reno, NV (United States). Dept. of Mechanical Engineering

    2006-07-01

    Green components of thermodynamics were identified and general aspects of green practices associated with thermodynamics were assessed. Energy uses associated with fossil fuels were reviewed. Green energy sources such as solar, wind, geothermal and hydropower were discussed, as well as biomass plantations. Ethanol production practices were reviewed. Conservation practices in the United States were outlined. Energy efficiency and exergy analyses were discussed. Energy intensity measurements and insulation products for houses were also reviewed. Five case studies were presented to illustrate aspects of green thermodynamics: (1) light in a classroom; (2) fuel saved by low-resistance tires; and (3) savings with high-efficiency motors; (4) renewable energy; and (5) replacing a valve with a turbine at a cryogenic manufacturing facility. It was concluded that the main principles of green thermodynamics are to ensure that all material and energy inputs minimize the depletion of energy resources; prevent waste; and improve or innovate technologies that achieve sustainability. 17 refs., 2 tabs., 9 figs.

  2. Computer program for obtaining thermodynamic and transport properties of air and products of combustion of ASTM-A-1 fuel and air

    Science.gov (United States)

    Hippensteele, S. A.; Colladay, R. S.

    1978-01-01

    A computer program for determining desired thermodynamic and transport property values by means of a three-dimensional (pressure, fuel-air ratio, and either enthalpy or temperature) interpolation routine was developed. The program calculates temperature (or enthalpy), molecular weight, viscosity, specific heat at constant pressure, thermal conductivity, isentropic exponent (equal to the specific heat ratio at conditions where gases do not react), Prandtl number, and entropy for air and a combustion gas mixture of ASTM-A-1 fuel and air over fuel-air ratios from zero to stoichiometric, pressures from 1 to 40 atm, and temperatures from 250 to 2800 K.

  3. Rare earth elements as a by-catch of sedimentary deposits. Exploration program of rare earth elements; Selten Erd Elemente als Beifang sedimentaerer Lagerstaetten. Erkundungsprogramm Selten Erd Elemente

    Energy Technology Data Exchange (ETDEWEB)

    Linhardt, E.; Gebhardt, A. (comps.)

    2014-02-15

    The increasing demand for rare earth elements (REE) in the field of ''green technologies'' on the one hand and the shortage of raw materials on the world markets on the other hand confronted also Bavaria as an industrial location with growing supply problems in these ''high tech raw materials''. The aim of exploration was the clarification of the feedstock REE potential of heavy mineral concentrates which are obtained in the industrial extraction and processing of sand and kaolin in existing extraction operations in northern Bavaria as by catch and are potentially winnable or marketable. The in-depth investigation enabled the potential of found rare earth elements and other high-tech metal oxides that can be classified as very likely find it in terms of an economic recovery. [German] Der zunehmende Bedarf an Selten Erd Elementen (SEE) im Bereich der ''Gruenen Technologien'' zum Einen sowie die Rohstoffverknappung auf den Weltmaerkten zum Anderen konfrontiert auch Bayern als Industriestandort mit wachsenden Versorgungsproblemen bei diesen ''high tech-Grundstoffen''. Ziel der Erkundung war die Klaerung des rohstofflichen SEE-Potenzials von Schwermineralkonzentraten, die bei der grosstechnischen Gewinnung und Aufbereitung von Sand und Kaolin in vorhandenen Gewinnungsbetrieben Nordbayerns als Beifang anfallen und potenziell gewinn- bzw. vermarktbar sind. Im Zuge der Untersuchung konnten nutzbare Potenziale von Selten Erd Elementen und anderen high-tech - Metalloxiden gefunden werden, die sehr wahrscheinlich als fuendig im Hinblick auf eine wirtschaftliche Gewinnung eingestuft werden koennen.

  4. Modified Delphi Consensus to Suggest Key Elements of Stepping On Falls Prevention Program.

    Science.gov (United States)

    Mahoney, Jane E; Clemson, Lindy; Schlotthauer, Amy; Mack, Karin A; Shea, Terry; Gobel, Vicki; Cech, Sandy

    2017-01-01

    Falls among older adults result in substantial morbidity and mortality. Community-based programs have been shown to decrease the rate of falls. In 2007, the Centers for Disease Control and Prevention funded a research study to determine how to successfully disseminate the evidence-based fall prevention program (Stepping On) in the community setting. As the first step for this study, a panel of subject matter experts was convened to suggest which parts of the Stepping On fall prevention program were considered key elements, which could not be modified by implementers. Older adult fall prevention experts from the US, Canada, and Australia participated in a modified Delphi technique process to suggest key program elements of Stepping On. Forty-four experts were invited to ensure that the panel of experts would consist of equal numbers of physical therapists, occupational therapists, geriatricians, exercise scientists, and public health researchers. Consensus was determined by percent of agreement among panelists. A Rasch analysis of item fit was conducted to explore the degree of diversity and/or homogeneity of responses across our panelists. The Rasch analysis of the 19 panelists using fit statistics shows there was a reasonable and sufficient range of diverse perspectives (Infit MnSQ 1.01, Z score -0.1, Outfit MnSQ 0.96, Z score -0.2 with a separation of 4.89). Consensus was achieved that these elements were key: 17 of 18 adult learning elements, 11 of 22 programming, 12 of 15 exercise, 7 of 8 upgrading exercises, 2 of 4 peer co-leader's role, and all of the home visits, booster sessions, group leader's role, and background and training of group leader elements. The top five key elements were: (1) use plain language, (2) develop trust, (3) engage people in what is meaningful and contextual for them, (4) train participants for cues in self-monitoring quality of exercises, and (5) group leader learns about exercises and understands how to progress them. The Delphi

  5. AlterBBN: A program for calculating the BBN abundances of the elements in alternative cosmologies

    CERN Document Server

    Arbey, Alexandre

    2012-01-01

    We describe AlterBBN, a public C program for evaluating the abundances of the elements generated by Big-Bang nucleosynthesis (BBN). This program enables the user to compute the abundances of the elements in the standard model of cosmology, and additionally provides possibilities to alter the assumptions of the cosmological model in order to study their consequences on the abundances of the elements. In particular the baryon-to-photon ratio and the effective number of neutrinos, as well as the expansion rate and the entropy content of the Universe during BBN can be modified in AlterBBN. Such features allow the user to test the cosmological models by confronting them to BBN constraints. A presentation of the physics of BBN and the features of AlterBBN is provided here under the form of a manual.

  6. Application of the Single Hardening Model in the Finite Element Program ABAQUS

    DEFF Research Database (Denmark)

    Jakobsen, Kim Parsberg

    that several conceptual models, describing the non-linear and irreversible behaviour of soil, have been developed over the last three decades few of them are accessible in commercial finite element programs. In the present study the Single Hardening Model, that is a time independent elastoplastic constitutive...

  7. Ultimate limit state design of sheet pile walls by finite elements and nonlinear programming

    DEFF Research Database (Denmark)

    Krabbenhøft, Kristian; Damkilde, Lars; Krabbenhøft, Sven

    2005-01-01

    as a nonlinear programming problem where the yield moment of the wall is minimized subject to equilibrium and yield conditions. The finite element discretization used enables exact fulfillment of these conditions and thus, according to the lower bound theorem, the solutions are safe....

  8. Ultimate Limit State Design Of Sheet Pile Walls By Finite Elements And Nonlinear Programming

    DEFF Research Database (Denmark)

    Krabbenhøft, Kristian; Damkilde, Lars; Krabbenhøft, Sven

    2005-01-01

    as a nonlinear programming problem where the yield moment of the wall is minimized subject to equilibrium and yield conditions. The finite element discretization used enables exact fulfillment of these conditions and thus, according to the lower bound theorem, the solutions are safe...

  9. Elements of Mathematics, Book O: Intuitive Background. Chapter 16, Introduction to Computer Programming.

    Science.gov (United States)

    Exner, Robert; And Others

    The sixteen chapters of this book provide the core material for the Elements of Mathematics Program, a secondary sequence developed for highly motivated students with strong verbal abilities. The sequence is based on a functional-relational approach to mathematics teaching, and emphasizes teaching by analysis of real-life situations. This text is…

  10. Pest rodents as the essential elements of Mycobacterium bovis controlling programs

    Directory of Open Access Journals (Sweden)

    Elahe Moradi

    2015-01-01

    Discussion: This study was unable to track tangible evidence of tuberculosis transmission by mice. Hence to prove this hypothesis, further studies are advised. However, it was found that mice are potentially a reservoir of zoonotic pathogens, and therefore its importance in this regard must be considered as an effective element of any controlling program.

  11. Modern thermodynamics

    CERN Document Server

    Ben-Naim, Arieh

    2017-01-01

    This textbook introduces thermodynamics with a modern approach, starting from four fundamental physical facts (the atomic nature of matter, the indistinguishability of atoms and molecules of the same species, the uncertainty principle, and the existence of equilibrium states) and analyzing the behavior of complex systems with the tools of information theory, in particular with Shannon's measure of information (or SMI), which can be defined on any probability distribution. SMI is defined and its properties and time evolution are illustrated, and it is shown that the entropy is a particular type of SMI, i.e. the SMI related to the phase-space distribution for a macroscopic system at equilibrium. The connection to SMI allows the reader to understand what entropy is and why isolated systems follow the Second Law of Thermodynamics. The Second Llaw is also formulated for other systems, not thermally isolated and even open with respect to the transfer of particles. All the fundamental aspects of thermodynamics are d...

  12. Workplace Violence Training Programs for Health Care Workers: An Analysis of Program Elements.

    Science.gov (United States)

    Arbury, Sheila; Hodgson, Michael; Zankowski, Donna; Lipscomb, Jane

    2017-06-01

    Commercial workplace violence (WPV) prevention training programs differ in their approach to violence prevention and the content they present. This study reviews 12 such programs using criteria developed from training topics in the Occupational Safety and Health Administration's (OSHA) Guidelines for Preventing Workplace Violence for Healthcare and Social Service Workers and a review of the WPV literature. None of the training programs addressed all the review criteria. The most significant gap in content was the lack of attention to facility-specific risk assessment and policies. To fill this gap, health care facilities should supplement purchased training programs with specific training in organizational policies and procedures, emergency action plans, communication, facility risk assessment, and employee post-incident debriefing and monitoring. Critical to success is a dedicated program manager who understands risk assessment, facility clinical operations, and program management and evaluation.

  13. Nerva Fuel Element Development Program Summary Report - July 1966 through June 1972 Extrusion Studies

    Energy Technology Data Exchange (ETDEWEB)

    Napier, J. M.

    1973-09-21

    This part of the completion report pertaining to the NERVA graphite fuel element program covers data collected during the extrusion studies. The physical properties of the fuel element reached the following values: coefficient of thermal expansion (CTE) - 7.0 x 10-6/o C (25 - l,OOOo C); modulus of elasticity - 1.5 x lo6 psi; flexural strength - - 8,000 psi; ultimate strain to failure - 5,500 pidin; good thermal stress resistance. Matrices were produced which could be vapor coated with crack-free films of zirconium carbide. The CTE of the matrix was almost equal to the CTE of the zirconium carbide coating.

  14. MAPVAR - A Computer Program to Transfer Solution Data Between Finite Element Meshes

    Energy Technology Data Exchange (ETDEWEB)

    Wellman, G.W.

    1999-03-01

    MAPVAR, as was the case with its precursor programs, MERLIN and MERLIN II, is designed to transfer solution results from one finite element mesh to another. MAPVAR draws heavily from the structure and coding of MERLIN II, but it employs a new finite element data base, EXODUS II, and offers enhanced speed and new capabilities not available in MERLIN II. In keeping with the MERLIN II documentation, the computational algorithms used in MAPVAR are described. User instructions are presented. Example problems are included to demonstrate the operation of the code and the effects of various input options.

  15. Government-to-private sector energy programs: Identification of common elements leading to successful implementation

    Science.gov (United States)

    Stockton, Keith M.

    This dissertation examines six distinct government energy programs implemented in the United States during the last three decades. A common element within these programs is an attempt by government to drive commercialization of energy technologies leading to changes in energy production or consumptive behavior. We seek to understand the factors that lead to success or failure of these programs with two goals in mind. The first is theoretical in that we test a hypothesis that market-based energy programs have substantially higher success rates than command-and-control programs. The second goal is operational in nature, in which we desire to identify common factors within energy programs that lead either to program success or to failure. We investigate and evaluate three market-based and three command-and-control energy programs. The market-based programs include the federal Corporate Average Fuel Economy and Sulfur Dioxide Emissions Control programs as well as Colorado's Amendment 37. The command-and-control programs include the federal Synthetic Fuels Corporation and Corn Based Ethanol programs as well as Colorado's Solar Electric Power program. We conduct the analysis of each program based on composite methodology derived from leading academics within the Policy Sciences. From our research findings, we conclude that both market-based and command-and-control programs can achieve their legislative goals and objectives, resulting in permanent changes in energy production or consumptive behavior. However, we also find that the economic efficiency is the differentiator between market-based and command-and-control programs. Market-based programs, because of the inherent flexibility, allow participants to react to changing economic and/or technical conditions. In contrast, command-and-control programs lack such flexibility and often result in economic inefficiency when economic conditions change. The financial incentives incorporated in the three command

  16. Annual Report of the Wind Characteristics Program Element for the Period April 1976 Through June 1977

    Energy Technology Data Exchange (ETDEWEB)

    Elderkin, C. E.; Ramsdell, J. V.

    1977-07-01

    The Wind Characteristics Program Element (WCPE) is a service element to provide meteorological information to other parts of the Wind Energy Conversion Program. In this role, the WCPE has as its general objective acceleration of the development, commercialization and utilization of reliable and economically viable wind energy conversion systems (WECS). This report discusses the work undertaken in the areas of design and performance evaluation, site selection, and presiting evaluation from April 1976 through June 1977. A systematic evaluation of wind descriptors has begun in the Design and Performance Evaluation Program Areas and is leading to the preparation of handbooks of meteorological information for use in design and performance evaluation. A conceptual framework has been established within the Site Selection Program Area that clearly defines the relationships between siting tools. The Presiting Evaluation Program Area is involved in the identification of large areas of high wind energy potential throughout the United States, and in the determination of wind characteristics related to the economic viability of wind energy conversion within these areas.

  17. Effect of a three-month football training program on trace element ...

    African Journals Online (AJOL)

    This study was conducted to examine the effects of a three-month football training program on some trace elements in the serum in male kids aged between eight and twelve years. The study registered eight boys whose mean age was 10.25 ± 0.75 years, mean height was 138.63 ± 3.28 cm and mean weight was 32.13 ...

  18. Quantum Biology at the Cellular Level - elements of the research program

    OpenAIRE

    Bordonaro, Michael; Ogryzko, Vasily

    2013-01-01

    Quantum Biology is emerging as a new field at the intersection between fundamental physics and biology, promising novel insights into the nature and origin of biological order. We discuss several elements of QBCL (Quantum Biology at Cellular Level), a research program designed to extend the reach of quantum concepts to higher than molecular levels of biological organization. Key words. decoherence, macroscopic superpositions, basis-dependence, formal superposition, non-classical correlations,...

  19. MP Salsa: a finite element computer program for reacting flow problems. Part 1--theoretical development

    Energy Technology Data Exchange (ETDEWEB)

    Shadid, J.N.; Moffat, H.K.; Hutchinson, S.A.; Hennigan, G.L.; Devine, K.D.; Salinger, A.G.

    1996-05-01

    The theoretical background for the finite element computer program, MPSalsa, is presented in detail. MPSalsa is designed to solve laminar, low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow, heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solver coupled multiple Poisson or advection-diffusion- reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurring in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMKIN, respectively. The code employs unstructured meshes, using the EXODUS II finite element data base suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec solver library.

  20. Solvation thermodynamics

    CERN Document Server

    Ben-Naim, Arieh

    1987-01-01

    This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen­ tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther­ modynamics alone. However, solvation is inherently a molecular pro­ cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 b...

  1. Chemical thermodynamics. An introduction

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-07-01

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

  2. Phantom thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, Pedro F. [Colina de los Chopos, Centro de Fisica ' Miguel A. Catalan' , Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)]. E-mail: p.gonzalezdiaz@imaff.cfmac.csic.es; Sigueenza, Carmen L. [Colina de los Chopos, Centro de Fisica ' Miguel A. Catalan' , Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)

    2004-10-04

    This paper deals with the thermodynamic properties of a phantom field in a flat Friedmann-Robertson-Walker universe. General expressions for the temperature and entropy of a general dark-energy field with equation of state p={omega}{rho} are derived from which we have deduced that, whereas the temperature of a cosmic phantom fluid ({omega}-1) is definite negative, its entropy is always positive. We interpret that result in terms of the intrinsic quantum nature of the phantom field and apply it to (i) attain a consistent explanation for some recent results concerning the evolution of black holes which,induced by accreting phantom energy, gradually loss their mass to finally vanish exactly at the big rip, and (ii) introduce the concept of cosmological information and its relation with life and the anthropic principle. Some quantum statistical-thermodynamic properties of the quantum field are also considered that include a generalized Wien law and the prediction of some novel phenomena such as the stimulated absorption of phantom energy and the anti-laser effect.

  3. Thermodynamic Constraints Improve Metabolic Networks.

    Science.gov (United States)

    Krumholz, Elias W; Libourel, Igor G L

    2017-08-08

    In pursuit of establishing a realistic metabolic phenotypic space, the reversibility of reactions is thermodynamically constrained in modern metabolic networks. The reversibility constraints follow from heuristic thermodynamic poise approximations that take anticipated cellular metabolite concentration ranges into account. Because constraints reduce the feasible space, draft metabolic network reconstructions may need more extensive reconciliation, and a larger number of genes may become essential. Notwithstanding ubiquitous application, the effect of reversibility constraints on the predictive capabilities of metabolic networks has not been investigated in detail. Instead, work has focused on the implementation and validation of the thermodynamic poise calculation itself. With the advance of fast linear programming-based network reconciliation, the effects of reversibility constraints on network reconciliation and gene essentiality predictions have become feasible and are the subject of this study. Networks with thermodynamically informed reversibility constraints outperformed gene essentiality predictions compared to networks that were constrained with randomly shuffled constraints. Unconstrained networks predicted gene essentiality as accurately as thermodynamically constrained networks, but predicted substantially fewer essential genes. Networks that were reconciled with sequence similarity data and strongly enforced reversibility constraints outperformed all other networks. We conclude that metabolic network analysis confirmed the validity of the thermodynamic constraints, and that thermodynamic poise information is actionable during network reconciliation. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  4. COYOTE : a finite element computer program for nonlinear heat conduction problems. Part I, theoretical background.

    Energy Technology Data Exchange (ETDEWEB)

    Glass, Micheal W.; Hogan, Roy E., Jr.; Gartling, David K.

    2010-03-01

    The need for the engineering analysis of systems in which the transport of thermal energy occurs primarily through a conduction process is a common situation. For all but the simplest geometries and boundary conditions, analytic solutions to heat conduction problems are unavailable, thus forcing the analyst to call upon some type of approximate numerical procedure. A wide variety of numerical packages currently exist for such applications, ranging in sophistication from the large, general purpose, commercial codes, such as COMSOL, COSMOSWorks, ABAQUS and TSS to codes written by individuals for specific problem applications. The original purpose for developing the finite element code described here, COYOTE, was to bridge the gap between the complex commercial codes and the more simplistic, individual application programs. COYOTE was designed to treat most of the standard conduction problems of interest with a user-oriented input structure and format that was easily learned and remembered. Because of its architecture, the code has also proved useful for research in numerical algorithms and development of thermal analysis capabilities. This general philosophy has been retained in the current version of the program, COYOTE, Version 5.0, though the capabilities of the code have been significantly expanded. A major change in the code is its availability on parallel computer architectures and the increase in problem complexity and size that this implies. The present document describes the theoretical and numerical background for the COYOTE program. This volume is intended as a background document for the user's manual. Potential users of COYOTE are encouraged to become familiar with the present report and the simple example analyses reported in before using the program. The theoretical and numerical background for the finite element computer program, COYOTE, is presented in detail. COYOTE is designed for the multi-dimensional analysis of nonlinear heat conduction

  5. Program design by a multidisciplinary team. [for structural finite element analysis on STAR-100 computer

    Science.gov (United States)

    Voigt, S.

    1975-01-01

    The use of software engineering aids in the design of a structural finite-element analysis computer program for the STAR-100 computer is described. Nested functional diagrams to aid in communication among design team members were used, and a standardized specification format to describe modules designed by various members was adopted. This is a report of current work in which use of the functional diagrams provided continuity and helped resolve some of the problems arising in this long-running part-time project.

  6. Equilibrium thermodynamics

    CERN Document Server

    Oliveira, Mário J

    2013-01-01

    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions.  These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This textbo...

  7. Equilibrium thermodynamics

    CERN Document Server

    de Oliveira, Mário J

    2017-01-01

    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...

  8. 20 CFR 655.1111 - Element I-What hospitals are eligible to participate in the H-1C program?

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Element I-What hospitals are eligible to... I—What hospitals are eligible to participate in the H-1C program? (a) The first attestation element... ADMINISTRATION, DEPARTMENT OF LABOR TEMPORARY EMPLOYMENT OF FOREIGN WORKERS IN THE UNITED STATES What...

  9. STARS: An Integrated, Multidisciplinary, Finite-Element, Structural, Fluids, Aeroelastic, and Aeroservoelastic Analysis Computer Program

    Science.gov (United States)

    Gupta, K. K.

    1997-01-01

    A multidisciplinary, finite element-based, highly graphics-oriented, linear and nonlinear analysis capability that includes such disciplines as structures, heat transfer, linear aerodynamics, computational fluid dynamics, and controls engineering has been achieved by integrating several new modules in the original STARS (STructural Analysis RoutineS) computer program. Each individual analysis module is general-purpose in nature and is effectively integrated to yield aeroelastic and aeroservoelastic solutions of complex engineering problems. Examples of advanced NASA Dryden Flight Research Center projects analyzed by the code in recent years include the X-29A, F-18 High Alpha Research Vehicle/Thrust Vectoring Control System, B-52/Pegasus Generic Hypersonics, National AeroSpace Plane (NASP), SR-71/Hypersonic Launch Vehicle, and High Speed Civil Transport (HSCT) projects. Extensive graphics capabilities exist for convenient model development and postprocessing of analysis results. The program is written in modular form in standard FORTRAN language to run on a variety of computers, such as the IBM RISC/6000, SGI, DEC, Cray, and personal computer; associated graphics codes use OpenGL and IBM/graPHIGS language for color depiction. This program is available from COSMIC, the NASA agency for distribution of computer programs.

  10. Human Health Countermeasures (HHC) Element Management Plan: Human Research Program. Revision B

    Science.gov (United States)

    Norsk, Peter; Baumann, David

    2012-01-01

    NASA s Human Research Program (HRP) is an applied research and technology program within the Human Exploration and Operations Mission Directorate (HEOMD) that addresses human health and performance risk mitigation strategies in support of exploration missions. The HRP research and technology development is focused on the highest priority risks to crew health and safety with the goal of ensuring mission success and maintaining long-term crew health. Crew health and performance standards, defined by the NASA Chief Health and Medical Officer (CHMO), set the acceptable risk level for exploration missions. The HRP conducts research to inform these standards as well as provide deliverables, such as countermeasures, that ensure standards can be met to maximize human performance and mission success. The Human Health Countermeasures (HHC) Element was formed as part of the HRP to develop a scientifically-based, integrated approach to understanding and mitigating the health risks associated with human spaceflight. These health risks have been organized into four research portfolios that group similar or related risks. A fifth portfolio exists for managing technology developments and infrastructure projects. The HHC Element portfolios consist of: a) Vision and Cardiovascular; b) Exercise and Performance; c) Multisystem; d) Bone; and e) Technology and Infrastructure. The HHC identifies gaps associated with the health risks and plans human physiology research that will result in knowledge required to more fully understand risks and will result in validated countermeasures to mitigate risks.

  11. Snake River Sockeye Salmon Captive Broodstock Program; Hatchery Element, 2001 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Kline, Paul A.; Willard, Catherine; Baker, Dan J. (Idaho Department of Fish and Game, Boise, ID)

    2003-08-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and the National Marine Fisheries Service initiated efforts to conserve and rebuild populations in Idaho. Initial steps to recover sockeye salmon included the establishment of a captive broodstock program at the Idaho Department of Fish and Game Eagle Fish Hatchery. Sockeye salmon broodstock and culture responsibilities are shared with the National Marine Fisheries Service at two locations adjacent to Puget Sound in Washington State. Activities conducted by the Shoshone-Bannock Tribes and the National Marine Fisheries Service are reported under separate cover. Idaho Department of Fish and Game monitoring and evaluation activities of captive broodstock program fish releases (annual report to the Bonneville Power Administration for the research element of the program) are also reported separately. Captive broodstock program activities conducted between January 1, 2001 and December 31, 2001 for the hatchery element of the program are presented in this report. In 2001, 26 anadromous sockeye salmon returned to the Sawtooth Basin. Twenty-three of these adults were captured at adult weirs located on the upper Salmon River and on Redfish Lake Creek. Three of the anadromous sockeye salmon that returned were observed below the Sawtooth Fish Hatchery weir and allowed to migrate upstream volitionally (following the dismantling of the weir on October 12, 2001). Nine anadromous adults were incorporated into the captive broodstock program spawning design in 2001. The remaining adults were released to Redfish Lake for natural spawning. Based on their marks, returning adult sockeye salmon originated from a variety of release options. Two sockeye salmon females from the anadromous group and 152 females from the brood year 1998 captive

  12. Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

    Science.gov (United States)

    Angeli, C.; Cimiraglia, R.

    2013-02-01

    A symbolic program performing the Formal Reduction of Density Operators (FRODO), formerly developed in the MuPAD computer algebra system with the purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions in a complete active space (CAS) scheme, has been rewritten in Mathematica. New version : A program summaryProgram title: FRODO Catalogue identifier: ADV Y _v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVY_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3878 No. of bytes in distributed program, including test data, etc.: 170729 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which the Mathematica computer algebra system can be installed Operating system: Linux Classification: 5 Catalogue identifier of previous version: ADV Y _v1_0 Journal reference of previous version: Comput. Phys. Comm. 171(2005)63 Does the new version supersede the previous version?: No Nature of problem. In order to improve on the CAS-SCF wavefunction one can resort to multireference perturbation theory or configuration interaction based on internally contracted functions (ICFs) which are obtained by application of the excitation operators to the reference CAS-SCF wavefunction. The previous formulation of such matrix elements in the MuPAD computer algebra system, has been rewritten using Mathematica. Solution method: The method adopted consists in successively eliminating all occurrences of inactive orbital indices (core and virtual) from the products of excitation operators which appear in the definition of the ICFs and in the electronic Hamiltonian expressed in the second quantization formalism. Reasons for new version: Some years ago we published in this journal a couple of papers [1, 2

  13. Element Partition Trees For H-Refined Meshes to Optimize Direct Solver Performance. Part I: Dynamic Programming

    KAUST Repository

    AbouEisha, Hassan M.

    2017-07-13

    We consider a class of two-and three-dimensional h-refined meshes generated by an adaptive finite element method. We introduce an element partition tree, which controls the execution of the multi-frontal solver algorithm over these refined grids. We propose and study algorithms with polynomial computational cost for the optimization of these element partition trees. The trees provide an ordering for the elimination of unknowns. The algorithms automatically optimize the element partition trees using extensions of dynamic programming. The construction of the trees by the dynamic programming approach is expensive. These generated trees cannot be used in practice, but rather utilized as a learning tool to propose fast heuristic algorithms. In this first part of our paper we focus on the dynamic programming approach, and draw a sketch of the heuristic algorithm. The second part will be devoted to a more detailed analysis of the heuristic algorithm extended for the case of hp-adaptive

  14. Snake River Sockeye Salmon Captive Broodstock Program; Hatchery Element, 2002 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Willard, Catherine; Baker, Dan J.; Heindel, Jeff A. (Idaho Department of Fish and Game, Boise, ID)

    2003-12-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and the National Marine Fisheries Service initiated efforts to conserve and rebuild populations in Idaho. Initial steps to recover sockeye salmon included the establishment of a captive broodstock program at the Idaho Department of Fish and Game Eagle Fish Hatchery. Sockeye salmon broodstock and culture responsibilities are shared with the National Oceanic and Atmospheric Administration at two locations adjacent to Puget Sound in Washington State. Activities conducted by the Shoshone-Bannock Tribes and the National Oceanic and Atmospheric Administration are reported under separate cover. Idaho Department of Fish and Game monitoring and evaluation activities of captive broodstock program fish releases (annual report to the Bonneville Power Administration for the research element of the program) are also reported separately. Captive broodstock program activities conducted between January 1, 2002 and December 31, 2002 for the hatchery element of the program are presented in this report. n 2002, 22 anadromous sockeye salmon returned to the Sawtooth Valley. Fifteen of these adults were captured at adult weirs located on the upper Salmon River and on Redfish Lake Creek. Seven of the anadromous sockeye salmon that returned were observed below the Sawtooth Fish Hatchery weir and allowed to migrate upstream volitionally (following the dismantling of the weir on September 30, 2002). All adult returns were released to Redfish Lake for natural spawning. Based on their marks, returning adult sockeye salmon originated from a variety of release options. Sixty-six females from brood year 1999 and 28 females from brood year 2000 captive broodstock groups were spawned at the Eagle Hatchery in 2002. Spawn pairings produced approximately 65

  15. Part A - Advanced turbine systems. Part B - Materials/manufacturing element of the Advanced Turbine Systems Program

    Energy Technology Data Exchange (ETDEWEB)

    Karnitz, M.A.

    1996-06-01

    The DOE Offices of Fossil Energy and Energy Efficiency and Renewable Energy have initiated a program to develop advanced turbine systems for power generation. The objective of the Advanced Turbine Systems (ATS) Program is to develop ultra-high efficiency, environmentally superior, and cost competitive gas turbine systems for utility and industrial applications. One of the supporting elements of the ATS Program is the Materials/Manufacturing Technologies Task. The objective of this element is to address the critical materials and manufacturing issues for both industrial and utility gas turbines.

  16. Thermodynamics of Radiation Modes

    Science.gov (United States)

    Pina, Eduardo; de la Selva, Sara Maria Teresa

    2010-01-01

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

  17. The thermodynamic solar energy; Le solaire thermodynamique

    Energy Technology Data Exchange (ETDEWEB)

    Rivoire, B. [Centre National de la Recherche Scientifique (CNRS-IMP), 66 - Perpignan (France)

    2002-04-01

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

  18. Clinician use of standardized assessments following a common elements psychotherapy training and consultation program.

    Science.gov (United States)

    Lyon, Aaron R; Dorsey, Shannon; Pullmann, Michael; Silbaugh-Cowdin, Jessica; Berliner, Lucy

    2015-01-01

    Despite increasing emphasis on the implementation of evidence-based treatments in community service settings, little attention has been paid to supporting the use of evidence-based assessment (EBA) methods and processes, a parallel component of evidence-based practice. Standardized assessment (SA) tools represent a key aspect of EBA and are central to data-driven clinical decision making. The current study evaluated the impact of a statewide training and consultation program in a common elements approach to psychotherapy. Practitioner attitudes toward, skill applying, and use of SA tools across four time points (pre-training, post-training, post-consultation, and follow-up) were assessed. Results indicated early increases in positive SA attitudes, with more gradual increases in self-reported SA skill and use. Implications for supporting the sustained use of SA tools are discussed, including the use of measurement feedback systems, reminders, and SA-supportive supervision practices.

  19. Pengenalan Ababil: Program Finite Element Analysis (FEA 3-Dimensi Untuk Struktur Rangka-Batang

    Directory of Open Access Journals (Sweden)

    Sugeng Waluyo

    2011-02-01

    Full Text Available Ababil is an open source computer program working on the basis offinite element method (FEM which is aimed to analyze frame structures. It is mainly designed as a solver without embedded pre-or/and post-processing units. Recently, the solver is compatible only for reading and writing in the Gmsh [1] pre- and post-processing software environment. The FEM kinematics formulation applied here is relied on the Timoshenko Beam Theory (TBT using linear shape function. Finally, the well-known FEM software MSC.Nastranis used to ensure the capability of Ababil in the prediction of frame deformation by means of FEMsimulation

  20. Human Research Program Human Health Countermeasures Element Extravehicular Activity (EVA) Risk Standing Review Panel (SRP)

    Science.gov (United States)

    Norfleet, William; Harris, Bernard

    2009-01-01

    The Extravehicular Activity (EVA) Risk Standing Review Panel (SRP) was favorably impressed by the operational risk management approach taken by the Human Research Program (HRP) Integrated Research Plan (IRP) to address the stated life sciences issues. The life sciences community at the Johnson Space Center (JSC) seems to be focused on operational risk management. This approach is more likely to provide risk managers with the information they need at the time they need it. Concerning the information provided to the SRP by the EVA Physiology, Systems, and Performance Project (EPSP), it is obvious that a great deal of productive activity is under way. Evaluation of this information was hampered by the fact that it often was not organized in a fashion that reflects the "Gaps and Tasks" approach of the overall Human Health Countermeasures (HHC) effort, and that a substantial proportion of the briefing concerned subjects that, while interesting, are not part of the HHC Element (e.g., the pressurized rover presentation). Additionally, no information was provided on several of the tasks or how they related to work underway or already accomplished. This situation left the SRP having to guess at the efforts and relationship to other elements, and made it hard to easily map the EVA Project efforts currently underway, and the data collected thus far, to the gaps and tasks in the IRP. It seems that integration of the EPSP project into the HHC Element could be improved. Along these lines, we were concerned that our SRP was split off from the other participating SRPs at an early stage in the overall agenda for the meeting. In reality, the concerns of EPSP and other projects share much common ground. For example, the commonality of the concerns of the EVA and exercise physiology groups is obvious, both in terms of what reduced exercise capacity can do to EVA capability, and how the exercise performed during an EVA could contribute to an overall exercise countermeasure prescription.

  1. Human Research Program Human Health Countermeasures Element Nutrition Risk Standing Review Panel

    Science.gov (United States)

    Bistrian, Bruce

    2009-01-01

    The Nutrition Risk Standing Review Panel (SRP) reviewed and discussed the specific gaps and tasks for the Human Health Countermeasures (HHC) Element related to nutrition identified in the Human Research Program (HRP) Integrated Research Plan. There was general consensus that the described gaps and proposed tasks were critical to future NASA mission success. The SRP acknowledged the high scientific quality of the work currently being undertaken by the Nutritional Biochemistry group under the direction of Dr. Scott Smith. In review of the entire HRP, four new gaps were identified that complement the Element's existing research activities. Given the limitations of ground-based analogs for many of the unique physiological and metabolic alterations in space, future studies are needed to quantify nutritional factors that change during actual space flight. In addition, future tasks should seek to better evaluate the time course of physiological and metabolic alterations during flight to better predict alterations during longer duration missions. Finally, given the recent data suggesting a potential role for increased inflammatory responses during space flight, the role of inflammation needs to be explored in detail, including the development of potential countermeasures and new ground based analogs, if this possibility is confirmed.

  2. Background and elements of the linkage between the Brazilian school feeding program and family farming.

    Science.gov (United States)

    Schwartzman, Flavia; Mora, Claudia Andrea Rodriguez; Bogus, Claudia Maria; Villar, Betzabeth Slater

    2017-12-18

    Since 2009, legislation of the National School Feeding Program of Brazil (PNAE) institutionalizes its linkage with family farming as it establishes the requirement that at least 30% out of the total financial resources allocated by the federal government to the states and municipalities for school feeding must be used in the purchase of products directly from this sector. This study analyzes the process of drafting this legislation, focusing on the elements related to the procurement from family farming, through a historical contextualization, and it also presents a graphical representation with the main elements of this linkage: its objectives, target population, actions implemented and expected results. Actors involved with the drafting of the legislation were interviewed. The analyses show that the procurement from family farming is a far-reaching initiative in terms of the concept, execution and results. It has also showed that a strong articulation between the actors and institutions of the different sectors involved is critical to its success. The education, agriculture, planning, procurement and civil society sectors should work articulately at national, state and local level. The results of this study demonstrate that initiatives like this, of institutional procurement from family farming, which are currently being implemented in several countries, constitute as an important strategy of food and nutrition security, for the fulfillment of the human right to adequate food and the promotion of long-term sustainable development.

  3. Building an evidence-informed service array: Considering evidence-based programs as well as their practice elements.

    Science.gov (United States)

    Bernstein, Adam; Chorpita, Bruce F; Daleiden, Eric L; Ebesutani, Chad K; Rosenblatt, Abram

    2015-12-01

    This study empirically examined options for building an evidence-informed service array, comparing strategies to maximize the application of evidence-based treatment literature in a clinical service system. The overall goal was to determine the smallest set of treatments that could serve the largest percentage of clients. Solutions to this problem differ depending on how one defines "treatment." Treatments were conceptualized as (a) programs (integrated treatments produced by specific research laboratories or investigators), and (b) collections of their constituent common procedures, referred to as practice elements. Programs listed by 2 separate government-sanctioned registries were selected to illustrate the effects of "program" conceptualizations, and all available clinical trials testing the programs were analyzed. Practice elements were identified from these same studies and from studies of other treatments that met a standard of evidence but had not been organized into programs on these lists. Relevance mapping methodology was used to identify optimal sets of programs and practice elements. Among a large, diverse clinical population, results identified 11%-22% of youths for whom practice elements provide an evidence-informed treatment option whereas no programs meeting the standard of evidence were available on the registries. Results for the practice elements were able to be matched by a hybrid combination: "best" programs, which were then extended by practice elements. These results demonstrated that there are multiple ways to conceptualize treatments when planning a service array, and these options have significant implications regarding who can be served by treatments supported by evidence. (c) 2015 APA, all rights reserved).

  4. Snake River Sockeye Salmon Captive Broodstock Program; Hatchery Element, 1997 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Kline, Paul A.; Heindel, Jeff A.; Willard, Catherine (Idaho Department of Fish and Game, Boise, ID)

    2003-08-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and the National Marine Fisheries Service initiated efforts to conserve and rebuild populations in Idaho. Initial steps to recover sockeye salmon included the establishment of a captive broodstock program at the Idaho Department of Fish and Game Eagle Fish Hatchery. Sockeye salmon broodstock and culture responsibilities are shared with the National Marine Fisheries Service at two locations adjacent to Puget Sound in Washington State. Activities conducted by the Shoshone-Bannock Tribes and the National Marine Fisheries Service are reported under separate cover. Idaho Department of Fish and Game monitoring and evaluation activities of captive broodstock program fish releases (annual report to the Bonneville Power Administration for the research element of the program) are also reported under separate cover. Captive broodstock program activities conducted between January 1, 1997 and December 31, 1997 are presented in this report. One hundred twenty-six female sockeye salmon from one captive broodstock group were spawned at the Eagle Fish Hatchery in 1997. Successful spawn pairings produced approximately 148,781 eyed-eggs with a cumulative mean survival to eyed-egg rate of 57.3%. Approximately 361,600 sockeye salmon were released to Sawtooth basin waters in 1997. Reintroduction strategies included eyed-eggs (brood year 1997), presmolts (brood year 1996), and prespawn adults for volitional spawning (brood year 1994). Release locations included Redfish Lake, Alturas Lake, and Pettit Lake. During this reporting period, four broodstocks and two unique production groups were in culture at the Eagle Fish Hatchery. Two of the four broodstocks were incorporated into the 1997 spawning design, and one broodstock was terminated following

  5. SOLGAS refined: A computerized thermodynamic equilibrium calculation tool

    Energy Technology Data Exchange (ETDEWEB)

    Trowbridge, L.D.; Leitnaker, J.M.

    1993-11-01

    SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several{open_quote} bells and whistles{close_quotes} have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised format for entering data simplifies and reduces chances for error. Calculated errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed {open_quotes}on line.{close_quote} The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatible with at least 384 bytes of low RAM, are available from the authors.

  6. Mathematical foundations of thermodynamics

    CERN Document Server

    Giles, R; Stark, M; Ulam, S

    2013-01-01

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

  7. Development and program implementation of elements for identification of the electromagnet condition for movable element position control

    Science.gov (United States)

    Leukhin, R. I.; Shaykhutdinov, D. V.; Shirokov, K. M.; Narakidze, N. D.; Vlasov, A. S.

    2017-02-01

    Developing the experimental design of new electromagnetic constructions types in engineering industry enterprises requires solutions of two major problems: regulator’s parameters setup and comprehensive testing of electromagnets. A weber-ampere characteristic as a data source for electromagnet condition identification was selected. Present article focuses on development and implementation of the software for electromagnetic drive control system based on the weber-ampere characteristic measuring. The software for weber-ampere characteristic data processing based on artificial neural network is developed. Results of the design have been integrated into the program code in LabVIEW environment. The license package of LabVIEW graphic programming was used. The hardware is chosen and possibility of its use for control system implementation was proved. The trained artificial neural network defines electromagnetic drive effector position with minimal error. Developed system allows to control the electromagnetic drive powered by the voltage source, the current source and hybrid sources.

  8. A computational investigation of the effect of alloying elements on the thermodynamic and diffusion properties of fcc nickel alloys, with application to the creep rate of dilute nickel-X alloys

    Science.gov (United States)

    Zacherl, Chelsey L.

    In this dissertation, two computational techniques have been employed to understand the alloying effects of various transition elements in Ni and its alloys. To aid in the process of narrowing down the large composition space for the design of future Ni-base superalloys, a thermodynamic model using the CALPHAD approach is developed, where Gibbs energy functions of individual phases are parameterized based on fittings to experimentally measured phase equilibria or thermochemical data and computationally predicted thermochemical data. Multi-component Ni-base superalloys can be accurately described within the CALPHAD approach through the extrapolation of the Gibbs energy functions of the simpler sub-systems which are modeled where experimental and computational data is usually more abundant. The Re-Y and Re-Ti systems, integral binary alloy systems in the Ni-base superalloy database, are modeled in the present work. In addition to studying thermodynamic and phase stability properties of Ni-base superalloys, this thesis also highlights the importance of the kinetic properties of these materials through their diffusion coefficients. Vacancy mediated self-diffusion coefficients are calculated on ferromagnetic and non-magnetic fcc Ni as a function of temperature. Within Eyring’s reaction rate theory, minimum energy pathways for the diffusing atom is calculated using the Nudged Elastic Band method. The present work demonstrates that the mid-row 5d transition row element impurities have the highest activation barriers for impurity diffusion, and subsequently are the slowest diffusers in Ni. The fastest diffusers in Ni coupled with the lowest activation barriers for impurity diffusion are demonstrated to be at the far left of the 3d and 4d transition element rows on the periodic table. The present work also demonstrates that the primary mechanism driving the variation in the impurity diffusion coefficient from element to element is the migration barrier for impurity

  9. Thermodynamic tables to accompany Modern engineering thermodynamics

    CERN Document Server

    Balmer, Robert T

    2011-01-01

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

  10. Classical and statistical thermodynamics

    CERN Document Server

    Rizk, Hanna A

    2016-01-01

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

  11. Theoretical Studies of Small-System Thermodynamics in Energetic Materials

    Science.gov (United States)

    2016-01-06

    SECURITY CLASSIFICATION OF: This is a comprehensive theoretical research program to investigate the fundamental principles of small-system thermodynamics ...a.k.a. nanothermodynamics). The proposed work is motivated by our desire to better understand the fundamental dynamics and thermodynamics of...for Public Release; Distribution Unlimited Final Report: Theoretical Studies of Small-System Thermodynamics in Energetic Materials The views, opinions

  12. Snake River Sockeye Salmon Captive Broodstock Program; Hatchery Element, 2004 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Dan J.; Heindel, Jeff A.; Redding, Jeremy (Idaho Department of Fish and Game, Boise, ID)

    2006-05-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and the National Marine Fisheries Service initiated efforts to conserve and rebuild populations in Idaho. Initial steps to recover sockeye salmon included the establishment of a captive broodstock program at the Idaho Department of Fish and Game Eagle Fish Hatchery. Sockeye salmon broodstock and culture responsibilities are shared with the National Oceanic and Atmospheric Administration at two locations adjacent to Puget Sound in Washington State. Activities conducted by the Shoshone-Bannock Tribes and the National Oceanic and Atmospheric Administration are reported under separate cover. Idaho Department of Fish and Game monitoring and evaluation activities of captive broodstock program fish releases (annual report to the Bonneville Power Administration for the research element of the program) are also reported separately. Captive broodstock program activities conducted between January 1, 2004 and December 31, 2004 for the hatchery element of the program are presented in this report. In 2004, twenty-seven anadromous sockeye salmon returned to the Sawtooth Valley. Traps on Redfish Lake Creek and the upper Salmon River at the Sawtooth Fish Hatchery intercepted one and four adults, respectively. Additionally, one adult sockeye salmon was collected at the East Fork Salmon River weir, 18 were seined from below the Sawtooth Fish Hatchery weir, one adult sockeye salmon was observed below the Sawtooth Fish Hatchery weir but not captured, and two adult sockeye salmon were observed in Little Redfish Lake but not captured. Fish were captured/collected between July 24 and September 14, 2004. The captured/collected adult sockeye salmon (12 females and 12 males) originated from a variety of release strategies and were transferred to

  13. Human Research Program Human Health Countermeasures Element Sensorimotor Risk Standing Review Panel (SRP) Final Report

    Science.gov (United States)

    Peterson, Barry

    2009-01-01

    The Sensorimotor Risk Standing Review Panel (SRP) met at the NASA Johnson Space Center on October 4-6, 2009 to discuss the areas of future research targeted by the Human Health Countermeasures (HHC) Element of the Human Research Program (HRP). Using evidence-based knowledge as a background for risks, NASA had identified gaps in knowledge to address those risks. Ongoing and proposed tasks were presented to address the gaps. The charge to the Sensorimotor Risk SRP was to review the gaps, evaluate whether the tasks addressed these gaps and to make recommendations to NASA s HRP Science Management Office regarding the SRP's review. The SRP was requested to evaluate the practicality of the proposed efforts in light of the realistic demands placed on the HRP. In short, all tasks presented in the Integrated Research Plan (IRP) should address specific risks related to the challenges faced by the astronauts as a result of prolonged exposure to microgravity. All tasks proposed to fill the gaps in knowledge should provide applied, translational data necessary to address the specific risks. Several presentations were made to the SRP during the site visit and the SRP spent sufficient time to address the panel charge, either as a group or in separate sessions. The SRP made a final debriefing to the HRP Program Scientist. Taking the evidence and the risk as givens, the SRP reached the following conclusions: 1) the panel is very supportive of and endorses the present activities of the Sensorimotor Risk; and the panel is likewise supportive of the gaps and associated tasks in the IRP; 2) overall, the tasks addressed the gaps in the IRP; 3) there were some gaps and tasks that merit further enhancement and some new gaps/tasks that the SRP recommends.

  14. Thirty-Two Nodes Hexahedronal Element Subroutine for Multi-Purpose Program MEF.

    Science.gov (United States)

    1986-09-01

    diciplines . A cubic, thirty-two node, three dimensional * isoiparametric element was developed. With such an element very complex structures could be solved...library of one, two, and three-dimensional elements for the solution of problems from a wide variety of diciplines . A cubic, thirty-two node, three...Problem Definition (data base): ............................ 8 2. Element Computations: ................................... 8 3. Assem bly Operations

  15. Computation of vibration mode elastic-rigid and effective weight coefficients from finite-element computer program output

    Science.gov (United States)

    Levy, R.

    1991-01-01

    Post-processing algorithms are given to compute the vibratory elastic-rigid coupling matrices and the modal contributions to the rigid-body mass matrices and to the effective modal inertias and masses. Recomputation of the elastic-rigid coupling matrices for a change in origin is also described. A computational example is included. The algorithms can all be executed by using standard finite-element program eigenvalue analysis output with no changes to existing code or source programs.

  16. Quantum biology at the cellular level--elements of the research program.

    Science.gov (United States)

    Bordonaro, Michael; Ogryzko, Vasily

    2013-04-01

    Quantum biology is emerging as a new field at the intersection between fundamental physics and biology, promising novel insights into the nature and origin of biological order. We discuss several elements of QBCL (quantum biology at cellular level) - a research program designed to extend the reach of quantum concepts to higher than molecular levels of biological organization. We propose a new general way to address the issue of environmentally induced decoherence and macroscopic superpositions in biological systems, emphasizing the 'basis-dependent' nature of these concepts. We introduce the notion of 'formal superposition' and distinguish it from that of Schroedinger's cat (i.e., a superposition of macroscopically distinct states). Whereas the latter notion presents a genuine foundational problem, the former one contradicts neither common sense nor observation, and may be used to describe cellular 'decision-making' and adaptation. We stress that the interpretation of the notion of 'formal superposition' should involve non-classical correlations between molecular events in a cell. Further, we describe how better understanding of the physics of Life can shed new light on the mechanism driving evolutionary adaptation (viz., 'Basis-Dependent Selection', BDS). Experimental tests of BDS and the potential role of synthetic biology in closing the 'evolvability mechanism' loophole are also discussed. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  17. Prediction of settlement by using finite element simulation 2D program at Seksyen 7, Shah Alam

    Science.gov (United States)

    Razak, Zakiah; Mukri, Mazidah; Kasim, Nur Aisyah

    2017-08-01

    Construction on soft ground often involves a number of geotechnical issues especially that related to settlements. Excessive post-construction settlements may they be total or differential have always caused serious problem to all parties in the project. Insufficient knowledge on existing ground conditions due to lacking of a proper site investigation coupled with inadequacy in design especially in the foundation for supporting structure could be the likely reasons for causing this problem and lead to eventual instability of the structure above. In general, a reasonably accurate assessment on the rate of settlement of soil is a very important factor in ensuring the achievement of structurally sound building and/or infrastructural work on soft ground without the development of excessive post-construction settlement. In the current investigation, sensitivity analysis to enhance prediction of settlement is carried out using the PLAXIS Finite Element 2D Program by setting the relevant control parameters. This would allow post-construction settlement be predicted during the pre-construction stage be predicted. It is believed that this is useful in assisting the design engineer in arriving at a satisfactory solution subsequently.

  18. Treatise on thermodynamics

    CERN Document Server

    Planck, Max Karl Ernst Ludwig

    Great classic, still one of the best introductions to thermodynamics. Fundamentals, first and second principles of thermodynamics, applications to special states of equilibrium, more. Numerous worked examples. 1917 edition.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1982-09-01

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

  20. Conformal Gauge Transformations in Thermodynamics

    Directory of Open Access Journals (Sweden)

    Alessandro Bravetti

    2015-09-01

    Full Text Available In this work, we show that the thermodynamic phase space is naturally endowed with a non-integrable connection, defined by all of those processes that annihilate the Gibbs one-form, i.e., reversible processes. We argue that such a connection is invariant under re-scalings of the connection one-form, whilst, as a consequence of the non-integrability of the connection, its curvature is not and, therefore, neither is the associated pseudo-Riemannian geometry. We claim that this is not surprising, since these two objects are associated with irreversible processes. Moreover, we provide the explicit form in which all of the elements of the geometric structure of the thermodynamic phase space change under a re-scaling of the connection one-form. We call this transformation of the geometric structure a conformal gauge transformation. As an example, we revisit the change of the thermodynamic representation and consider the resulting change between the two metrics on the thermodynamic phase space, which induce Weinhold’s energy metric and Ruppeiner’s entropy metric. As a by-product, we obtain a proof of the well-known conformal relation between Weinhold’s and Ruppeiner’s metrics along the equilibrium directions. Finally, we find interesting properties of the almost para-contact structure and of its eigenvectors, which may be of physical interest.

  1. Human Research Program Human Health Countermeasures Element Bone and Muscle Risk Standing Review Panel (SRP)

    Science.gov (United States)

    Glowacki, Julie; Gregor, Robert

    2009-01-01

    The Bone and Muscle Risk Standing Review Panel (SRP) met at the NASA Johnson Space Center (JSC) on October 4-6, 2009 to discuss the areas of current and future research targeted by the Human Health Countermeasures (HHC) Element of the Human Research Program (HRP). Using evidence-based knowledge as a background for identified risks to astronaut health and performance, NASA had identified gaps in knowledge to address those risks. Ongoing and proposed tasks were presented to address the gaps. The charge to the Bone and Muscle Risk SRP was to review the gaps, evaluate whether the tasks addressed these gaps and to make recommendations to NASA s HRP Science Management Office regarding the Panel's review. The Bone and Muscle Risk SRP consisted of scientists who are experts in muscle, bone, or both and could evaluate the existing evidence with sufficient knowledge of the potential effects of long duration exposure to microgravity. More important, although expertise in basic science is important, the SRP was requested to evaluate the practicality of the proposed efforts in light of the realistic demands placed on the HRP. In short, all tasks presented in the Integrated Research Plan (IRP) should address specific questions related to the challenges faced by the astronauts as a result of prolonged exposure to microgravity. All tasks proposed to fill the gaps in knowledge should provide applied, translational data necessary to answer the specific questions. Several presentations were made to the SRP during the site visit and the SRP spent sufficient time to address the panel charge, either as a group or in separate sessions for the Bone and Muscle Risk subgroups. The SRP made a final debriefing to the HRP Program Scientist, Dr. John B. Charles, on October 6, 2009. Taking the evidence and identified risks as givens, the SRP concluded that 1) integration of information should lead to a more comprehensive approach to identifying the gaps, 2) not all tasks addressed the gaps as

  2. Virtual garden computer program for use in exploring the elements of biodiversity people want in cities.

    Science.gov (United States)

    Shwartz, Assaf; Cheval, Helene; Simon, Laurent; Julliard, Romain

    2013-08-01

    Urban ecology is emerging as an integrative science that explores the interactions of people and biodiversity in cities. Interdisciplinary research requires the creation of new tools that allow the investigation of relations between people and biodiversity. It has been established that access to green spaces or nature benefits city dwellers, but the role of species diversity in providing psychological benefits remains poorly studied. We developed a user-friendly 3-dimensional computer program (Virtual Garden [www.tinyurl.com/3DVirtualGarden]) that allows people to design their own public or private green spaces with 95 biotic and abiotic features. Virtual Garden allows researchers to explore what elements of biodiversity people would like to have in their nearby green spaces while accounting for other functions that people value in urban green spaces. In 2011, 732 participants used our Virtual Garden program to design their ideal small public garden. On average gardens contained 5 different animals, 8 flowers, and 5 woody plant species. Although the mathematical distribution of flower and woody plant richness (i.e., number of species per garden) appeared to be similar to what would be expected by random selection of features, 30% of participants did not place any animal species in their gardens. Among those who placed animals in their gardens, 94% selected colorful species (e.g., ladybug [Coccinella septempunctata], Great Tit [Parus major], and goldfish), 53% selected herptiles or large mammals, and 67% selected non-native species. Older participants with a higher level of education and participants with a greater concern for nature designed gardens with relatively higher species richness and more native species. If cities are to be planned for the mutual benefit of people and biodiversity and to provide people meaningful experiences with urban nature, it is important to investigate people's relations with biodiversity further. Virtual Garden offers a standardized

  3. Twenty lectures on thermodynamics

    CERN Document Server

    Buchdahl, H A

    2013-01-01

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

  4. Introduction to applied thermodynamics

    CERN Document Server

    Helsdon, R M; Walker, G E

    1965-01-01

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

  5. Rational extended thermodynamics

    CERN Document Server

    Müller, Ingo

    1998-01-01

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

  6. Distilling Common History and Practice Elements to Inform Dissemination: Hanf-Model BPT Programs as an Example

    Science.gov (United States)

    Kaehler, Laura A.; Jacobs, Mary; Jones, Deborah J.

    2016-01-01

    There is a shift in evidence-based practice toward an understanding of the treatment elements that characterize empirically-supported interventions in general and the core components of specific approaches in particular. The evidence-base for Behavioral Parent Training (BPT), the standard of care for early-onset disruptive behavior disorders (Oppositional Defiant Disorder and Conduct Disorder), which frequently co-occur with Attention Deficit Hyperactivity Disorder, is well-established; yet, an ahistorical, program-specific lens tells little regarding how leaders, including Constance Hanf at the University of Oregon, shaped the common practice elements of contemporary evidence-based BPT. Accordingly, this review summarizes the formative work of Hanf, as well as the core elements, evolution, and extensions of her work, represented in Community Parent Education (COPE; Cunningham, Bremner, & Boyle, 1995; Cunningham, Bremner, Secord, & Harrison, 2009), Defiant Children (DC; Barkley 1987; Barkley, 2013), Helping the Noncompliant Child (HNC; Forehand & McMahon, 1981; McMahon & Forehand, 2003), Parent-Child Interaction Therapy (PCIT; Eyberg, & Robinson, 1982; Eyberg, 1988; Eyberg & Funderburk, 2011), and the Incredible Years (IY; Webster-Stratton, 1981; 1982; 2008). Our goal is not to provide an exhaustive review of the evidence-base for the Hanf-Model programs; rather, our intention is to provide a template of sorts from which agencies and clinicians can make informed choices about how and why they are using one program versus another, as well as how to make inform flexible use one program or combination of practice elements across programs, to best meet the needs of child clients and their families. Clinical implications and directions for future work are discussed. PMID:27389606

  7. Non-Equilibrium Thermodynamics in Multiphase Flows

    CERN Document Server

    Mauri, Roberto

    2013-01-01

    Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...

  8. International Experience with Key Program Elements of IndustrialEnergy Efficiency or Greenhouse Gas Emissions Reduction Target-SettingPrograms

    Energy Technology Data Exchange (ETDEWEB)

    Price, Lynn; Galitsky, Christina; Kramer, Klaas Jan

    2008-02-02

    Target-setting agreements, also known as voluntary ornegotiated agreements, have been used by a number of governments as amechanism for promoting energy efficiency within the industrial sector. Arecent survey of such target-setting agreement programs identified 23energy efficiency or GHG emissions reduction voluntary agreement programsin 18 countries. International best practice related to target-settingagreement programs calls for establishment of a coordinated set ofpolicies that provide strong economic incentives as well as technical andfinancial support to participating industries. The key program elementsof a target-setting program are the target-setting process,identification of energy-saving technologies and measures usingenergy-energy efficiency guidebooks and benchmarking as well as byconducting energy-efficiency audits, development of an energy-savingsaction plan, development and implementation of energy managementprotocols, development of incentives and supporting policies, monitoringprogress toward targets, and program evaluation. This report firstprovides a description of three key target-setting agreement programs andthen describes international experience with the key program elementsthat comprise such programs using information from the three keytarget-setting programs as well as from other international programsrelated to industrial energy efficiency or GHG emissionsreductions.

  9. SANTOS - a two-dimensional finite element program for the quasistatic, large deformation, inelastic response of solids

    Energy Technology Data Exchange (ETDEWEB)

    Stone, C.M.

    1997-07-01

    SANTOS is a finite element program designed to compute the quasistatic, large deformation, inelastic response of two-dimensional planar or axisymmetric solids. The code is derived from the transient dynamic code PRONTO 2D. The solution strategy used to compute the equilibrium states is based on a self-adaptive dynamic relaxation solution scheme, which is based on explicit central difference pseudo-time integration and artificial mass proportional damping. The element used in SANTOS is a uniform strain 4-node quadrilateral element with an hourglass control scheme to control the spurious deformation modes. Finite strain constitutive models for many common engineering materials are included. A robust master-slave contact algorithm for modeling sliding contact is implemented. An interface for coupling to an external code is also provided. 43 refs., 22 figs.

  10. Providing Feedback, Orientation and Opportunities for Reflection as Key Elements for Successful Mentoring Programs: Reviewing a Program for Future Business Education Teachers

    Directory of Open Access Journals (Sweden)

    Elisabeth Riebenbauer

    2017-12-01

    Full Text Available The introduction to teaching is critical for novice teachers. Near the end of their master’s program, students of Business Education and Development in Austria spend one semester at an assigned school. They are introduced to teaching, while being assisted by peer students, mentoring teachers, and a companion course. Mentors receive special training and preparation in advance, thus contributing to a high quality mentoring program. The program is organized threefold: (1 providing feedback, (2 opportunities for reflection and (3 career orientation. The purpose of this paper is to assess key elements of successful mentoring programs and to question which competences of mentors contribute most to the success of those programs. Between 2012 and 2015, 188 persons (student teachers and their mentors responded to an online survey at the end of their mentoring program. Additionally, data from a study (1,245 questionnaires regarding the student teachers’ perception of their own competence was utilized, allowing for a comparison of student teacher confidence in their abilities before and after the mentoring program. The present results provide insight into the key elements of successful mentoring programs; both from a student teacher’s and mentor’s perspective. During the semester, students showed an increase regarding their self-perception of their professional competences. It was found that students and mentoring teachers valued feedback after each lesson more than feedback in regular meetings. Opportunities for reflection (e.g. exchange with peer students, learning diaries were considered helpful. The mentoring program helped students to decide whether to become a teacher or not.

  11. Qualitative and quantitative reasoning about thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Skorstad, G.; Forbus, K. (Univ. of Illinois at Urbana-Champaign, IL (US))

    1989-01-01

    This paper shows how qualitative process theory can be used to express concepts of engineering thermodynamics. In particular, the authors describe how to integrate qualitative and quantitative knowledge to solve textbook problems involving thermodynamic cycles, such as gas turbine plants and steam power plants. These ideas have been implemented in a program called SCHISM. The authors describe its analysis of a sample textbook problem and discuss plans for future work.

  12. Chemical engineering and thermodynamics using Mat lab

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-02-15

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

  13. An introduction to equilibrium thermodynamics

    CERN Document Server

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

    1973-01-01

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

  14. FIESTA ROC: A new finite element analysis program for solar cell simulation

    Science.gov (United States)

    Clark, Ralph O.

    1991-01-01

    The Finite Element Semiconductor Three-dimensional Analyzer by Ralph O. Clark (FIESTA ROC) is a computational tool for investigating in detail the performance of arbitrary solar cell structures. As its name indicates, it uses the finite element technique to solve the fundamental semiconductor equations in the cell. It may be used for predicting the performance (thereby dictating the design parameters) of a proposed cell or for investigating the limiting factors in an established design.

  15. CUERVO: A finite element computer program for nonlinear scalar transport problems

    Energy Technology Data Exchange (ETDEWEB)

    Sirman, M.B.; Gartling, D.K.

    1995-11-01

    CUERVO is a finite element code that is designed for the solution of multi-dimensional field problems described by a general nonlinear, advection-diffusion equation. The code is also applicable to field problems described by diffusion, Poisson or Laplace equations. The finite element formulation and the associated numerical methods used in CUERVO are outlined here; detailed instructions for use of the code are also presented. Example problems are provided to illustrate the use of the code.

  16. Thermodynamics of Bioreactions.

    Science.gov (United States)

    Held, Christoph; Sadowski, Gabriele

    2016-06-07

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

  17. MPSalsa Version 1.5: A Finite Element Computer Program for Reacting Flow Problems: Part 1 - Theoretical Development

    Energy Technology Data Exchange (ETDEWEB)

    Devine, K.D.; Hennigan, G.L.; Hutchinson, S.A.; Moffat, H.K.; Salinger, A.G.; Schmidt, R.C.; Shadid, J.N.; Smith, T.M.

    1999-01-01

    The theoretical background for the finite element computer program, MPSalsa Version 1.5, is presented in detail. MPSalsa is designed to solve laminar or turbulent low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow (with auxiliary turbulence equations), heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solve coupled multiple Poisson or advection-diffusion-reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurring in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMK3N, respectively. The code employs unstructured meshes, using the EXODUS II finite element database suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec. solver library.

  18. On thermodynamics and gravity

    Science.gov (United States)

    Nagle, Ian

    2017-09-01

    A new entropic gravity inspired derivation of general relativity from thermodynamics is presented. This generalizes the "Thermodynamics of Spacetime" approach by T. Jacobson, which relies on the null Raychaudhuri evolution equation. Here the rest of the first law of thermodynamics is incorporated by using the null Damour-Navier-Stokes equation, known from the membrane paradigm for describing the tangential flow of deformations along a horizon.

  19. Stochastic Thermodynamics of Learning

    Science.gov (United States)

    Goldt, Sebastian; Seifert, Udo

    2017-01-01

    Virtually every organism gathers information about its noisy environment and builds models from those data, mostly using neural networks. Here, we use stochastic thermodynamics to analyze the learning of a classification rule by a neural network. We show that the information acquired by the network is bounded by the thermodynamic cost of learning and introduce a learning efficiency η ≤1 . We discuss the conditions for optimal learning and analyze Hebbian learning in the thermodynamic limit.

  20. Methods of thermodynamics

    CERN Document Server

    Reiss, Howard

    1997-01-01

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

  1. Sentinel-3 SAR Altimetry Toolbox - Scientific Exploitation of Operational Missions (SEOM) Program Element

    Science.gov (United States)

    Benveniste, Jérôme; Lucas, Bruno; Dinardo, Salvatore

    2014-05-01

    The prime objective of the SEOM (Scientific Exploitation of Operational Missions) element is to federate, support and expand the large international research community that the ERS, ENVISAT and the Envelope programmes have build up over the last 20 years for the future European operational Earth Observation missions, the Sentinels. Sentinel-3 builds directly on a proven heritage pioneered by ERS-1, ERS-2, Envisat and CryoSat-2, with a dual-frequency (Ku and C band) advanced Synthetic Aperture Radar Altimeter (SRAL) that provides measurements at a resolution of ~300m in SAR mode along track. Sentinel-3 will provide exact measurements of sea-surface height along with accurate topography measurements over sea ice, ice sheets, rivers and lakes. The first of the Sentinel-3 series is planned for launch in early 2015. The current universal altimetry toolbox is BRAT (Basic Radar Altimetry Toolbox) which can read all previous and current altimetry mission's data, but it does not have the capabilities to read the upcoming Sentinel-3 L1 and L2 products. ESA will endeavour to develop and supply this capability to support the users of the future Sentinel-3 SAR Altimetry Mission. BRAT is a collection of tools and tutorial documents designed to facilitate the processing of radar altimetry data. This project started in 2005 from the joint efforts of ESA (European Space Agency) and CNES (Centre National d'Etudes Spatiales, the French Space Agency), and it is freely available at http://earth.esa.int/brat. The tools enable users to interact with the most common altimetry data formats, the BratGUI is the front-end for the powerful command line tools that are part of the BRAT suite. BRAT can also be used in conjunction with Matlab/IDL (via reading routines) or in C/C++/Fortran via a programming API, allowing the user to obtain desired data, bypassing the data-formatting hassle. BRAT can be used simply to visualise data quickly, or to translate the data into other formats such as net

  2. Key Elements of Academic Programs Management Management of Postgraduate Virtual Courses at Universidad EAN

    Directory of Open Access Journals (Sweden)

    Gonzalo Benavides Gallego

    2015-12-01

    Full Text Available Rev.esc.adm.neg The main focus of this research study is the management of postgraduate academic programs offered at Univerdsidad EAN in virtual learning. The management processes applied to all types of organizations involve educational institutions. In such institutions, one of the principal actions of their management is to adminístrate academic programs, even though the focus of this study is postgraduate courses, specially the particular issues found in specialization courses and master degree programs base don virtual methodolgy, in which particular features and differences are described concerning the management of the academic programs offered having a face to face methodology.

  3. THERM3D -- A boundary element computer program for transient heat conduction problems

    Energy Technology Data Exchange (ETDEWEB)

    Ingber, M.S. [New Mexico Univ., Albuquerque, NM (United States). Dept. of Mechanical Engineering

    1994-02-01

    The computer code THERM3D implements the direct boundary element method (BEM) to solve transient heat conduction problems in arbitrary three-dimensional domains. This particular implementation of the BEM avoids performing time-consuming domain integrations by approximating a ``generalized forcing function`` in the interior of the domain with the use of radial basis functions. An approximate particular solution is then constructed, and the original problem is transformed into a sequence of Laplace problems. The code is capable of handling a large variety of boundary conditions including isothermal, specified flux, convection, radiation, and combined convection and radiation conditions. The computer code is benchmarked by comparisons with analytic and finite element results.

  4. Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement

    OpenAIRE

    Gyftopoulos, Elias P.

    2006-01-01

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

  5. 10 CFR 420.17 - Optional elements of State Energy Program plans.

    Science.gov (United States)

    2010-01-01

    ... following: (1) Program activities of public education to promote energy efficiency, renewable energy, and... efficiency measures and renewable energy measures— (i) Which may include loan programs and performance... allow rebates, grants, or other incentives for the purchase of energy efficiency measures and renewable...

  6. Generalization of special features of boundary element method realization in Ukrainian computer-aided programming systems

    OpenAIRE

    Korobanov, Yurii M.; Lishchuk, Ohnieslav M.; Lishchuk, Ivan M.

    2014-01-01

    The generalization of theoretical bases for engineering calculations of ship structures in the Ukrainian computer-aided design systems is performed. The mathematical base of the boundary elements method is set out; the boundary integral equation is presented. The method of fictitious loads is considered as the basis of ship structures calculation realization.

  7. The Elements of Effective Program Design: A Two-Level Analysis

    Directory of Open Access Journals (Sweden)

    Michael Howlett

    2014-06-01

    Full Text Available Policy and program design is a major theme of contemporary policy research, aimed at improving the understanding of how the processes, methods and tools of policy-making are employed to better formulate effective policies and pro-grams, and to understand the reasons why such designs are not forthcoming. However while many efforts have been made to evaluate policy design, less work has focused on program designs. This article sets out to fill this gap in knowledge of design practices in policy-making. It outlines the nature of the study of policy design with a particular focus on the nature of programs and the lessons derived from empirical experience regarding the conditions that enhance program effectiveness.

  8. Thermodynamics and heat power

    CERN Document Server

    Granet, Irving

    2014-01-01

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

  9. Equilibrium thermodynamics - Callen's postulational approach

    NARCIS (Netherlands)

    Jongschaap, R.J.J.; Öttinger, Hans Christian

    2001-01-01

    In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates

  10. Thermodynamics an engineering approach

    CERN Document Server

    Cengel, Yunus A

    2014-01-01

    Thermodynamics, An Engineering Approach, eighth edition, covers the basic principles of thermodynamics while presenting a wealth of real-world engineering examples so students get a feel for how thermodynamics is applied in engineering practice. This text helps students develop an intuitive understanding by emphasizing the physics and physical arguments. Cengel and Boles explore the various facets of thermodynamics through careful explanations of concepts and use of numerous practical examples and figures, having students develop necessary skills to bridge the gap between knowledge and the confidence to properly apply their knowledge. McGraw-Hill is proud to offer Connect with the eighth edition of Cengel/Boles, Thermodynamics, An Engineering Approach. This innovative and powerful new system helps your students learn more efficiently and gives you the ability to assign homework problems simply and easily. Problems are graded automatically, and the results are recorded immediately. Track individual stude...

  11. Thermodynamics of complexity

    DEFF Research Database (Denmark)

    Westerhoff, Hans V.; Jensen, Peter Ruhdal; Snoep, Jacky L.

    1998-01-01

    Thermodynamics has always been a remarkable science in that it studies macroscopic properties that are only partially determined by the properties of individual molecules. Entropy and free energy only exist in constellations of more than a single molecule (degree of freedom). They are the so...... understanding of this BioComplexity, modem thermodynamic concepts and methods (nonequilibrium thermodynamics, metabolic and hierarchical control analysis) will be needed. We shall propose to redefine nonequilibrium thermodynamics as: The science that aims at understanding the behaviour of nonequilibrium systems...... by taking into account both the molecular properties and the emergent properties that are due to (dys)organisation. This redefinition will free nonequilibrium thermodynamics from the limitations imposed by earlier near-equilibrium assumptions, resolve the duality with kinetics, and bridge the apparent gap...

  12. Continuous Modeling Technique of Fiber Pullout from a Cement Matrix with Different Interface Mechanical Properties Using Finite Element Program

    Directory of Open Access Journals (Sweden)

    Leandro Ferreira Friedrich

    Full Text Available Abstract Fiber-matrix interface performance has a great influence on the mechanical properties of fiber reinforced composite. This influence is mainly presented during fiber pullout from the matrix. As fiber pullout process consists of fiber debonding stage and pullout stage which involve complex contact problem, numerical modeling is a best way to investigate the interface influence. Although many numerical research works have been conducted, practical and effective technique suitable for continuous modeling of fiber pullout process is still scarce. The reason is in that numerical divergence frequently happens, leading to the modeling interruption. By interacting the popular finite element program ANSYS with the MATLAB, we proposed continuous modeling technique and realized modeling of fiber pullout from cement matrix with desired interface mechanical performance. For debonding process, we used interface elements with cohesive surface traction and exponential failure behavior. For pullout process, we switched interface elements to spring elements with variable stiffness, which is related to the interface shear stress as a function of the interface slip displacement. For both processes, the results obtained are very good in comparison with other numerical or analytical models and experimental tests. We suggest using the present technique to model toughening achieved by randomly distributed fibers.

  13. Linking the Elements of Change: Program and Client Responses to Innovation

    Science.gov (United States)

    Simpson, D. Dwayne; Joe, George W.; Rowan-Szal, Grace A.

    2007-01-01

    The process of innovation adoption was investigated using longitudinal records collected from a statewide network of almost 60 treatment programs over a 2-year period. Program-level measures of innovation adoption were defined by averaged counselor ratings of program training needs and readiness, organizational functioning, quality of a workshop training conference, and adoption indicators at follow-up. Findings showed that staff attitudes about training needs and past experiences are predictive of their subsequent ratings of training quality and progress in adopting innovations a year later. Organizational climate (clarity of mission, cohesion, openness to change) also is related to innovation adoption. In programs that lack an open atmosphere for adopting new ideas it was found that counselor trial usage is likely to be attenuated. Most important was evidence that innovation adoption based on training for improving treatment engagement was significantly related to client self-reports of improved treatment participation and rapport recorded several months later. PMID:17433862

  14. Establishing a Competency Field-Based Program of Reading Education: Essential Elements of Administrative Planning.

    Science.gov (United States)

    Blair, Charles W.

    1979-01-01

    Identifies essential aspects of administrative planning that must be considered when moving from a traditional reading preservice education program to a competency, field-based model of instruction. (TJ)

  15. DYCAST: A finite element program for the crash analysis of structures

    Science.gov (United States)

    Pifko, A. B.; Winter, R.; Ogilvie, P.

    1987-01-01

    DYCAST is a nonlinear structural dynamic finite element computer code developed for crash simulation. The element library contains stringers, beams, membrane skin triangles, plate bending triangles and spring elements. Changing stiffnesses in the structure are accounted for by plasticity and very large deflections. Material nonlinearities are accommodated by one of three options: elastic-perfectly plastic, elastic-linear hardening plastic, or elastic-nonlinear hardening plastic of the Ramberg-Osgood type. Geometric nonlinearities are handled in an updated Lagrangian formulation by reforming the structure into its deformed shape after small time increments while accumulating deformations, strains, and forces. The nonlinearities due to combined loadings are maintained, and stiffness variation due to structural failures are computed. Numerical time integrators available are fixed-step central difference, modified Adams, Newmark-beta, and Wilson-theta. The last three have a variable time step capability, which is controlled internally by a solution convergence error measure. Other features include: multiple time-load history tables to subject the structure to time dependent loading; gravity loading; initial pitch, roll, yaw, and translation of the structural model with respect to the global system; a bandwidth optimizer as a pre-processor; and deformed plots and graphics as post-processors.

  16. Use of GRASP, a finite element program, to model faulted gas reservoir of the southern North Sea Basin

    Energy Technology Data Exchange (ETDEWEB)

    Collins, P.A.; Goldwater, M.H.; Taylor, B.A.

    1978-01-01

    This study describes a single-phase, 2-dimensional reservoir simulation program called GRASP (gas reservoir areal simulation program) and its use in modeling gas reservoirs in the southern North Sea. The design of the program is outlined, placing special emphasis on those features which have proved to be of greatest value during its application to various gas fields. These include the ability to describe pressure discontinuities across faults and overlapping gas-bearing strata within the context of a 2-dimensional model. The provision of a network analysis model to describe the surface gathering system allows the program to be used either for history matching or for predicting the future reservoir behavior. In the latter case, facilities are provided which allow the consequences of different operating strategies to be investigated. GRASP has been designed, not as a research tool, but as a practical aid to reservoir analysis. Most published applications of finite element methods have considered only small regular reservoirs. In the present study, particular attention is directed toward the difficulties encountered in designing a program capable of describing large, realistic reservoirs. 14 references.

  17. Snake River Sockeye Salmon Captive Broodstock Program : Hatchery Element : Annual Progress Report, 2000.

    Energy Technology Data Exchange (ETDEWEB)

    Kline, Paul A.; Willard, Catherine

    2001-04-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and the National Marine Fisheries Service initiated efforts to conserve and rebuild populations in Idaho. Initial steps to recover sockeye salmon included the establishment of a captive broodstock program at the Idaho Department of Fish and Game Eagle Fish Hatchery. Sockeye salmon broodstock and culture responsibilities are shared with the National Marine Fisheries Service at two locations adjacent to Puget Sound in Washington State. Activities conducted by the Shoshone-Bannock Tribes and the National Marine Fisheries Service are reported under separate cover. Idaho Department of Fish and Game monitoring and evaluation activities of captive broodstock program fish releases are also reported under separate cover. Captive broodstock program activities conducted between January 1, 2000 and December 31, 2000 are presented in this report.

  18. The innovation element of the diploma (b.eng.) programs at DTU

    DEFF Research Database (Denmark)

    Nyborg, Mads; Christiansen, Nynne Budtz

    2016-01-01

    Diploma) and the Technical University of Denmark. The most significant new activity in the programs is the introduction of a common 10 ECTS compulsory course in innovation in the later part of the programs. The idea behind this course is to give students the opportunity to collaborate on interdisciplinary...... real-life projects. This course strengthens not only innovation skills but personal and interpersonal skills as well. In this paper we will discuss the organization of the Innovation Pilot course. In particular we focus on: - Structure of programmes - Organization of the Innovation Pilot course...

  19. Annual report of the Wind Characteristics Program Element, October 1979-September 1980

    Energy Technology Data Exchange (ETDEWEB)

    Wendell, L.L.; Barchet, W.R.; Connell, J.R.; Miller, A.H.; Pennell, W.T.; Renne, D.S.

    1981-09-01

    This annual report briefly describes the technical progress within each segment of the WCPE from October 1979 through September 1980. It includes the progress accomplished directly by the Pacific Northwest Laboratory (PNL) and by subcontractors funded directly by DOE or through PNL. To expedite the management of the activities to produce the required information, the WCPE has been divided into three program areas: Wind Energy Prospecting, Support for Design and Operations, and Site Evaluation. Accomplishments in each of these program areas provide a highlight of WCPE activities in FY 1980.

  20. Thermodynamics I essentials

    CERN Document Server

    REA, The Editors of

    2012-01-01

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

  1. Advanced thermodynamics engineering

    CERN Document Server

    Annamalai, Kalyan; Jog, Milind A

    2011-01-01

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

  2. Selected problems in thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Andrianova, T.N.; Dzampov, B.V.; Remizov, S.A.; Zubarev, V.N.

    1981-01-01

    This collection of problems is designed for a course in engineering thermodynamics for engineering and thermophysical disciplines in energy institutes. The problems contain the following fundamentals: first and second laws of thermodynamics, physical state and change of state processes in ideal and real gases, water, steam and moist air; efflux and choking of gases and steam, internal combustion cycles, gas and steam turbines, refrigerators, compressors, as well as problems in chemical thermodynamics. Answers to all problems are given, examples include solutions. The SI system of units is used.

  3. Non-equilibrium thermodynamics

    CERN Document Server

    De Groot, Sybren Ruurds

    1984-01-01

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

  4. Atmospheric deposition levels of chosen elements in the Czech Republic determined in the framework of the International Bryomonitoring Program 1995.

    Science.gov (United States)

    Sucharová, J; Suchara, I

    1998-11-03

    In order to determine the atmospheric loads of 13 elements (Al, As, Cd, Co, Cr, Cu, Fe, Mo, Ni, Pb, S, V, Zn), samples of Pleurozium schreberi (81.1%), Hypnum cupressiforme (11.2%) and Pseudoscleropodium purum (7.7%) bryophytes (mosses) were taken and analysed from an approx. 20 x 20-km grid extending over the entire territory (78,864 km2) of the Czech Republic (abbreviated 'the CZ' in this study). The level of the elements found in the bryophytes reflects the relative atmospheric deposition loads of the elements at the investigated sites. Five hot spots indicating relatively high deposition levels were identified in the CZ. The marginal hot spots are the following: the CZ part of the so-called Black Triangle I territory in northwestern CZ; the CZ part of the Black Triangle II territory in northeastern CZ; and the CZ part of the Sudeten mountains (Jizerské Mts and Giant Mts) and their foothills in northern CZ. Inland hot spots were found in the southwestern industrial part of central Bohemia and in the southern Moravian industrial district. The average element contents in CZ bryophytes were comparable with the respective average values obtained in Germany and Poland. However, the CZ average bryophyte values were higher and lower in comparison to the average Austrian and Slovak values, respectively. The CZ average relative atmospheric deposition loads of the elements were found to be 2-3 times higher than the respective loads in the cleanest parts of Europe (e.g. clean parts of Nordic countries). A comparison of the analytical results obtained repeatedly at 20 identical localities in the CZ showed a significant decrease in the relative deposition loads of all of the investigated elements in 1995 as compared to 1991. This decrease has been caused by the dramatic restriction of the industrial production, mainly that of the metallurgical and chemical industries, in the CZ. Desulphurisation programs and the effective trapping of flying dust particles in CZ power plants

  5. Essential Elements of a Collaborative Mental Health Training Program for Primary Care.

    Science.gov (United States)

    Giles, Lisa L; Martini, D Richard

    2017-10-01

    Mental health integration in primary care is based on creating an environment that encourages collaboration and supports appropriate care for patients and families while offering a full range of services. Training programs for primary care practitioners should include sessions on how to build and maintain such a practice along with information on basic mental health competencies. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. National Waste Terminal Storage Program: critical element management concept. Volume II. Concept description

    Energy Technology Data Exchange (ETDEWEB)

    1977-05-01

    The objective of the CEM Concept is to describe techniques for systematically identifying, evaluating, and influencing those technical, social, economic, political and institutional factors (i.e., events, trends and conditions) that are perceived as being probable uncertainties to the attainment of planned program objectives.

  7. Accounting of Multiplier Effect as a Required Element in Assessing the Effects of Social Programs

    Directory of Open Access Journals (Sweden)

    Yuliya Georgievna Lavrikova

    2015-12-01

    Full Text Available The article substantiates the importance of taking into account indirect effects of the programs, projects, activities (mainly social when deciding on the need to implement them. The problem of providing society with decent living conditions is studied. The article proves that in spite of some positive trends in the Russian construction market the issues of housing availability do not lose their significance. It notes that a variety of approaches to solving this problem have been developed, that is why it is critical to assess the effectiveness of each solution in order to choose the most suitable one. One of the tools for alleviating this problem – a program of housing construction savings – is discussed in detail; by means of the specially designed universal computational model we determine fiscal effectiveness of this program application in the Sverdlovsk Oblast. The analysis shows that the accounting of multiplier effect reveals the full range of possible effects of the program that can significantly affect the adoption of the decision to initiate actions necessary for their implementation

  8. Snake River Sockeye Salmon Captive Broodstock Program; Research Element, 2002 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Willard, Catherine; Hebdon, J. Lance; Castillo, Jason (Idaho Department of Fish and Game, Boise, ID)

    2004-06-01

    On November 20, 1991, the National Oceanic Atmospheric Administration listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Shoshone-Bannock Tribes and Idaho Department of Fish and Game initiated the Snake River Sockeye Salmon Sawtooth Valley Project to conserve and rebuild populations in Idaho. Restoration efforts are focusing on Redfish, Pettit, and Alturas lakes within the Sawtooth Valley. The first release of hatchery-produced juvenile sockeye salmon from the captive broodstock program occurred in 1994. The first anadromous adult returns from the captive broodstock program were recorded in 1999 when six jacks and one jill were captured at IDFG's Sawtooth Fish Hatchery. In 2002, progeny from the captive broodstock program were released using four strategies: age-0 presmolts were released to Alturas, Pettit, and Redfish lakes in August and to Pettit and Redfish lakes in October, age-1 smolts were released to Redfish Lake Creek in May, eyed-eggs were planted in Pettit Lake in December, and hatchery-produced and anadromous adult sockeye salmon were released to Redfish Lake for volitional spawning in September. Oncorhynchus nerka population monitoring was conducted on Redfish, Alturas, and Pettit lakes using a midwater trawl in September 2002. Age-0, age-1, and age-2 O. nerka were captured in Redfish Lake, and population abundance was estimated at 50,204 fish. Age-0, age-1, age-2, and age-3 kokanee were captured in Alturas Lake, and population abundance was estimated at 24,374 fish. Age-2 and age-3 O. nerka were captured in Pettit Lake, and population abundance was estimated at 18,328 fish. The ultimate goal of the Idaho Department of Fish and Game (IDFG) captive broodstock development and evaluation efforts is to recover sockeye salmon runs in Idaho waters. Recovery is defined as reestablishing sockeye salmon runs and providing for utilization of sockeye salmon and kokanee resources by anglers

  9. Workshop on Teaching Thermodynamics

    CERN Document Server

    1985-01-01

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

  10. Theoretical physics 5 thermodynamics

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

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

  11. Elementary chemical thermodynamics

    CERN Document Server

    Mahan, Bruce H

    1963-01-01

    This text introduces thermodynamic principles in a straightforward manner. Suitable for advanced undergraduates and graduate students, it emphasizes chemical applications and physical interpretations and simplifies mathematical development. 1964 edition.

  12. Electrochemical thermodynamic measurement system

    Science.gov (United States)

    Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA

    2009-09-29

    The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

  13. Chemical engineering thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Newman, S.A. (ed.)

    1983-01-01

    This book contains most of the papers presented at the thermodynamics sessions of the Second World Congress of Chemical Engineering held October 4-9, 1981 in Montreal, Canada. The chapters of the book have been categorized into the following areas: (1) Phase Equilibria, (2) Equations of State, (3) Electrolytes, and (4) Other Thermodynamic Topics. Topics presented in the chapters include: thermophysical data banks; group contribution methods applied to phase equilibrai; equations of state for vapor-liquid and liquid-liquid equilibria with applications to design; vapor-liquid equilibria in systems including bitumen, heavy oil and coal-derived liquids; thermodynamics of polar substances; coal char thermochemical data; chemical equilibria; petroleum fraction thermodynamics and sour water vapor-liquid equilibria. (DP)

  14. Polyelectrolytes thermodynamics and rheology

    CERN Document Server

    P M, Visakh; Picó, Guillermo Alfredo

    2014-01-01

    This book discusses current development of theoretical models and experimental findings on the thermodynamics of polyelectrolytes. Particular emphasis is placed on the rheological description of polyelectrolyte solutions and hydrogels.

  15. General and Statistical Thermodynamics

    CERN Document Server

    Tahir-Kheli, Raza

    2012-01-01

    This textbook explains completely the general and statistical thermodynamics. It begins with an introductory statistical mechanics course, deriving all the important formulae meticulously and explicitly, without mathematical short cuts. The main part of the book deals with the careful discussion of the concepts and laws of thermodynamics, van der Waals, Kelvin and Claudius theories, ideal and real gases, thermodynamic potentials, phonons and all the related aspects. To elucidate the concepts introduced and to provide practical problem solving support, numerous carefully worked examples are of great value for students. The text is clearly written and punctuated with many interesting anecdotes. This book is written as main textbook for upper undergraduate students attending a course on thermodynamics.

  16. Effect of a physical fitness program on physical self-concept and physical fitness elements in primary school students.

    Science.gov (United States)

    Mayorga-Vega, D; Viciana, J; Cocca, A; de Rueda Villén, B

    2012-12-01

    The purpose of this study was to assess the short-term effect of a physical fitness program on physical self-concept and physical fitness elements among primary school students. Spanish boys and girls (N = 75; M age = 11.1 yr., SD = 0.4) were divided into an experimental group and a control group. During physical education classes, the experimental group performed an 8-week program including two circuits of 8 exercises done for 15 to 35 sec. each with 45 to 25 sec. of rest between them. Physical self-concept (Physical Self-Description Questionnaire) and physical fitness (EUROFIT battery tests) were measured at the beginning and at the end of the physical fitness program. The results showed that the improvements in physical fitness were not accompanied by major changes in physical self-concept, even though the physical fitness program seemed to maintain the Experimental group's previous physical appearance, strength, and self-esteem perceptions, all of which statistically significantly decreased in the control group after the intervention.

  17. Snake River Sockeye Salmon Captive Broodstock Program; Hatchery Element, 1998 Annual Progress Report.

    Energy Technology Data Exchange (ETDEWEB)

    Kline, Paul A.; Heindel, Jeff A.

    1999-12-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and NMFS initiated efforts to conserve and rebuild populations in Idaho. Captive broodstock program activities conducted between January 1, 1998 and December 31, 1998, are presented in this report.

  18. Viral Hepatitis Strategic Information to Achieve Elimination by 2030: Key Elements for HIV Program Managers

    Science.gov (United States)

    Low-Beer, Daniel; Bergeri, Isabel; Hess, Sarah; Garcia-Calleja, Jesus Maria; Hayashi, Chika; Mozalevskis, Antons; Rinder Stengaard, Annemarie; Sabin, Keith; Harmanci, Hande; Bulterys, Marc

    2017-01-01

    Evidence documenting the global burden of disease from viral hepatitis was essential for the World Health Assembly to endorse the first Global Health Sector Strategy (GHSS) on viral hepatitis in May 2016. The GHSS on viral hepatitis proposes to eliminate viral hepatitis as a public health threat by 2030. The GHSS on viral hepatitis is in line with targets for HIV infection and tuberculosis as part of the Sustainable Development Goals. As coordination between hepatitis and HIV programs aims to optimize the use of resources, guidance is also needed to align the strategic information components of the 2 programs. The World Health Organization monitoring and evaluation framework for viral hepatitis B and C follows an approach similar to the one of HIV, including components on the following: (1) context (prevalence of infection), (2) input, (3) output and outcome, including the cascade of prevention and treatment, and (4) impact (incidence and mortality). Data systems that are needed to inform this framework include (1) surveillance for acute hepatitis, chronic infections, and sequelae and (2) program data documenting prevention and treatment, which for the latter includes a database of patients. Overall, the commonalities between HIV and hepatitis at the strategic, policy, technical, and implementation levels justify coordination, strategic linkage, or integration, depending on the type of HIV and viral hepatitis epidemics. Strategic information is a critical area of this alignment under the principle of what gets measured gets done. It is facilitated because the monitoring and evaluation frameworks for HIV and viral hepatitis were constructed using a similar approach. However, for areas where elimination of viral hepatitis requires data that cannot be collected through the HIV program, collaborations are needed with immunization, communicable disease control, tuberculosis, and hepatology centers to ensure collection of information for the remaining indicators. PMID

  19. Automated Guidance for Thermodynamics Essays: Critiquing versus Revisiting

    Science.gov (United States)

    Donnelly, Dermot F.; Vitale, Jonathan M.; Linn, Marcia C.

    2015-01-01

    Middle school students struggle to explain thermodynamics concepts. In this study, to help students succeed, we use a natural language processing program to analyze their essays explaining the aspects of thermodynamics and provide guidance based on the automated score. The 346 sixth-grade students were assigned to either the critique condition…

  20. A New Perspective on Thermodynamics

    CERN Document Server

    Lavenda, Bernard H

    2010-01-01

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

  1. Distilling Common History and Practice Elements to Inform Dissemination: Hanf-Model BPT Programs as an Example.

    Science.gov (United States)

    Kaehler, Laura A; Jacobs, Mary; Jones, Deborah J

    2016-09-01

    There is a shift in evidence-based practice toward an understanding of the treatment elements that characterize empirically supported interventions in general and the core components of specific approaches in particular. The evidence base for behavioral parent training (BPT) and the standard of care for early-onset disruptive behavior disorders (oppositional defiant disorder and conduct disorder), which frequently co-occur with attention deficit hyperactivity disorder, are well established, yet an ahistorical, program-specific lens tells little regarding how leaders, University of Oregon Medical School, shaped the common practice elements of contemporary evidence-based BPT. Accordingly, this review summarizes the formative work of Hanf, as well as the core elements, evolution, and extensions of her work, represented in Community Parent Education (COPE; (Cunningham et al. in J Child Psychol Psychiatry 36:1141-1159, 1995; Cunningham et al. in COPE, the community parent education program: large group community-based workshops for parents of 3- to 18-year-olds, COPE Works, Hamilton, 2009), Defiant Children (DC; (Barkley in Defiant children: a clinician's manual for assessment and parent training, Guilford Press, New York, 1987; Barkley in Defiant children: a clinician's manual for assessment and parent training, Guilford Press, New York, 2013), Helping the Noncompliant Child (HNC; Forehand and McMahon in Helping the noncompliant child: a clinician's guide to parent training, Guilford Press, New York, 1981; McMahon and Forehand in Helping the noncompliant child: family-based treatment for oppositional behavior, 2nd ed., Guilford Press, New York, 2003), Parent-child interaction therapy (PCIT; Eyberg and Robinson in J Clin Child Adolesc Psychol 11:130-137, 1982. doi:10.1080/15374418209533076; Eyberg in Child Fam Behav Ther 10:33-46, 1988; Eyberg and Funderburk in Parent-child interaction therapy protocol, PCIT International, Gainesville, 2011), and the Incredible Years

  2. Snake River Sockeye Salmon Captive Broodstock Program Hatchery Element : Project Progress Report 2007 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Dan J.; Heindel, Jeff A.; Green, Daniel G.; Kline, Paul A.

    2008-12-17

    Numbers of Snake River sockeye salmon Oncorhynchus nerka have declined dramatically in recent years. In Idaho, only the lakes of the upper Salmon River (Sawtooth Valley) remain as potential sources of production (Figure 1). Historically, five Sawtooth Valley lakes (Redfish, Alturas, Pettit, Stanley, and Yellowbelly) supported sockeye salmon (Bjornn et al. 1968; Chapman et al. 1990). Currently, only Redfish Lake receives a remnant anadromous run. On April 2, 1990, the National Oceanic and Atmospheric Administration Fisheries Service (NOAA - formerly National Marine Fisheries Service) received a petition from the Shoshone-Bannock Tribes (SBT) to list Snake River sockeye salmon as endangered under the United States Endangered Species Act (ESA) of 1973. On November 20, 1991, NOAA declared Snake River sockeye salmon endangered. In 1991, the SBT, along with the Idaho Department of Fish & Game (IDFG), initiated the Snake River Sockeye Salmon Sawtooth Valley Project (Sawtooth Valley Project) with funding from the Bonneville Power Administration (BPA). The goal of this program is to conserve genetic resources and to rebuild Snake River sockeye salmon populations in Idaho. Coordination of this effort is carried out under the guidance of the Stanley Basin Sockeye Technical Oversight Committee (SBSTOC), a team of biologists representing the agencies involved in the recovery and management of Snake River sockeye salmon. National Oceanic and Atmospheric Administration Fisheries Service ESA Permit Nos. 1120, 1124, and 1481 authorize IDFG to conduct scientific research on listed Snake River sockeye salmon. Initial steps to recover the species involved the establishment of captive broodstocks at the Eagle Fish Hatchery in Idaho and at NOAA facilities in Washington State (for a review, see Flagg 1993; Johnson 1993; Flagg and McAuley 1994; Kline 1994; Johnson and Pravecek 1995; Kline and Younk 1995; Flagg et al. 1996; Johnson and Pravecek 1996; Kline and Lamansky 1997; Pravecek and

  3. The case for including reach as a key element of program theory.

    Science.gov (United States)

    Montague, Steve; Porteous, Nancy L

    2013-02-01

    This paper suggests that there is a need to build reach in the logic models and results frameworks of public health initiatives. A lack of explicit thinking about reach in logic models can lead to problems such as narrow/constricted understanding of impacts chain, favoring of 'narrow and efficient' initiatives over 'wide and engaging' initiatives and biased thinking against equity considerations. An alternative approach described in this paper that explicitly considers reach demonstrates that an explicit description of reach in program theory and results logic depictions can improve equity in health and social systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Snake River Sockeye Salmon Captive Broodstock Program; Hatchery Element, 1999 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Dan J,; Heindel, Jeff A.; Kline, Paul A. (Idaho Department of Fish and Game, Boise, ID)

    2005-08-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Idaho Department of Fish and Game, the Shoshone-Bannock Tribes, and the National Marine Fisheries Service initiated efforts to conserve and rebuild populations in Idaho. Initial steps to recover sockeye salmon included the establishment of a captive broodstock program at the Idaho Department of Fish and Game Eagle Fish Hatchery. Sockeye salmon broodstock and culture responsibilities are shared with the National Marine Fisheries Service at two locations adjacent to Puget Sound in Washington State. Activities conducted by the Shoshone-Bannock Tribes and the National Marine Fisheries Service are reported under separate cover. Idaho Department of Fish and Game monitoring and evaluation activities of captive broodstock program fish releases are also reported under separate cover. Captive broodstock program activities conducted between January 1, 1999 and December 31, 1999 are presented in this report. In 1999, seven anadromous sockeye salmon returned to the Sawtooth Valley and were captured at the adult weir located on the upper Salmon River. Four anadromous adults were incorporated in the captive broodstock program spawning design for year 1999. The remaining three adults were released to Redfish Lake for natural spawning. All seven adults were adipose and left ventral fin-clipped, indicating hatchery origin. One sockeye salmon female from the anadromous group and 81 females from the captive broodstock group were spawned at the Eagle Fish Hatchery in 1999. Spawn pairings produced approximately 63,147 eyed-eggs with egg survival to eyed-stage of development averaging 38.97%. Eyed-eggs (20,311), presmolts (40,271), smolts (9,718), and adults (21) were planted or released into Sawtooth Valley waters in 1999. Supplementation strategies involved releases to Redfish Lake, Redfish Lake Creek

  5. MPSalsa a finite element computer program for reacting flow problems. Part 2 - user`s guide

    Energy Technology Data Exchange (ETDEWEB)

    Salinger, A.; Devine, K.; Hennigan, G.; Moffat, H. [and others

    1996-09-01

    This manual describes the use of MPSalsa, an unstructured finite element (FE) code for solving chemically reacting flow problems on massively parallel computers. MPSalsa has been written to enable the rigorous modeling of the complex geometry and physics found in engineering systems that exhibit coupled fluid flow, heat transfer, mass transfer, and detailed reactions. In addition, considerable effort has been made to ensure that the code makes efficient use of the computational resources of massively parallel (MP), distributed memory architectures in a way that is nearly transparent to the user. The result is the ability to simultaneously model both three-dimensional geometries and flow as well as detailed reaction chemistry in a timely manner on MT computers, an ability we believe to be unique. MPSalsa has been designed to allow the experienced researcher considerable flexibility in modeling a system. Any combination of the momentum equations, energy balance, and an arbitrary number of species mass balances can be solved. The physical and transport properties can be specified as constants, as functions, or taken from the Chemkin library and associated database. Any of the standard set of boundary conditions and source terms can be adapted by writing user functions, for which templates and examples exist.

  6. Glucose signalling pathway controls the programmed ribosomal frameshift efficiency in retroviral-like element Ty3 in Saccharomyces cerevisiae.

    Science.gov (United States)

    Türkel, Sezai; Kaplan, Güliz; Farabaugh, Philip J

    2011-11-01

    Ty3 elements of S. cerevisiae contain two overlapping coding regions, GAG3 and POL3, which are functional homologues of retroviral gag and pol genes, respectively. Pol3 is translated as a Gag3-Pol3 fusion protein dependent on a +1 programmed frameshift at a site with the overlap between the two genes. We show that the Ty3 frameshift frequency varies up to 10-fold in S. cerevisiae cells depending on carbon source. Frameshift efficiency is significantly lower in cells growing on glucose as carbon source than in cells growing on poor alternative carbon sources (glycerol/lactate or galactose). Our results indicate that Ty3 programmed ribosomal frameshift efficiency in response to glucose signalling requires two protein kinases: Snf1p and cAMP-dependent protein kinase A (PKA). Increased frameshifting on alternative carbon sources also appears to require cytoplasmic localization of Snf1p, mediated by the Sip2p protein. In addition to the two required protein kinases, our results implicate that Stm1p, a ribosome-associated protein involved in nutrient sensing, is essential for the carbon source-dependent regulation of Ty3 frameshifting. These data indicate that Ty3 programmed ribosomal frameshift is not a constitutive process but that it is regulated in response to the glucose-signalling pathway. Copyright © 2011 John Wiley & Sons, Ltd.

  7. Language delays, reading delays, and learning difficulties: interactive elements requiring multidimensional programming.

    Science.gov (United States)

    Hay, Ian; Elias, Gordon; Fielding-Barnsley, Ruth; Homel, Ross; Freiberg, Kate

    2007-01-01

    Researchers have hypothesized four levels of instructional dialogue and claimed that teachers can improve children's language development by incorporating these dialogue levels in their classrooms. It has also been hypothesized that enhancing children's early language development enhances children's later reading development. This quasi-experimental research study investigated both of these hypotheses using a collaborative service delivery model for Grade 1 children with language difficulties from a socially and economically disadvantaged urban community in Australia. Comparing the end-of-year reading achievement scores for the 57 children who received the language intervention with those of the 59 children in the comparison group, the findings from this research are supportive of both hypotheses. The interrelationships between learning difficulties, reading difficulties, and language difficulties are discussed along with children's development in vocabulary, use of memory strategies and verbal reasoning, and the need for multidimensional programming.

  8. TORO II: A finite element computer program for nonlinear quasi-static problems in electromagnetics: Part 2, User`s manual

    Energy Technology Data Exchange (ETDEWEB)

    Gartling, D.K.

    1996-05-01

    User instructions are given for the finite element, electromagnetics program, TORO II. The theoretical background and numerical methods used in the program are documented in SAND95-2472. The present document also describes a number of example problems that have been analyzed with the code and provides sample input files for typical simulations. 20 refs., 34 figs., 3 tabs.

  9. Study of the iodine transport mechanisms in a nuclear accidental medium by high temperature mass spectrometry in the framework of the 'CHIP' (Iodine Chemistry in the reactor coolant system) program. I - Thermodynamics of CsOH vaporization; Etude des mecanismes de transport de l iode en milieu nucleaire accidentel par spectrometrie de masse haute temperature dans le cadre du programme CHIP (CHimie de l Iode dans le circuit Primaire). I - Thermodynamique de la vaporisation de CsOH

    Energy Technology Data Exchange (ETDEWEB)

    Roki, F.Z.; Ohnet, M.N.; Jacquemain, D. [IRSN, DPAM, SEREA, Laboratoire d Essais Analytiques, Centre de Cadarache, BP 3, 13115 St Paul-Lez- Durance Cedex, (France); Chatillon, C. [Laboratoire de Thermodynamique et Physico-Chimie Metallurgiques (associe au CNRS, UMR 5614), BP 75 - 38402 Saint Martin d Heres, (France)

    2006-07-01

    Iodine is one of the fission products which vaporizes in a complex chemical medium and can be transported under different gaseous forms in the PWR primary coolant system during a severe nuclear accident. The 'CHIP' analytical program has been implemented to study in a first time, the quaternary complex systems of the type Cs-I-O-H. In this system, the CsOH(l or s) vaporization is an important element. A study by high temperature mass spectrometry shows that the vapor species are the CsOH(g), its dimers Cs{sub 2}O{sub 2}H{sub 2}(g) and its trimers Cs{sub 3}O{sub 3}H{sub 3}(g). For this last specie, no thermodynamic determination has been done until today. The quantitative exploitation of the vapor pressures leads to the determination of the dimerization enthalpy reaction: (CsOH){sub 2}(g)=2 CsOH(g) {delta}H(average)(298.14 K)136.5 {+-} 3.85 kJ.mol{sup -1} (calculated with the third thermodynamic law). (O.M.)

  10. Snake River Sockeye Salmon Captive Broodstock Program Research Elements : 2007 Annual Project Progess Report.

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Mike; Plaster, Kurtis; Redfield, Laura; Heindel, Jeff; Kline, Paul

    2008-12-17

    On November 20, 1991, the National Oceanic Atmospheric Administration listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Shoshone-Bannock Tribes (SBT) and Idaho Department of Fish and Game (IDFG) initiated the Snake River Sockeye Salmon Captive Broodstock Program to conserve and rebuild populations in Idaho. Restoration efforts are focused on Redfish, Pettit, and Alturas lakes within the Sawtooth Valley. The first release of hatchery-produced adults occurred in 1993. The first release of juvenile sockeye salmon from the captive broodstock program occurred in 1994. In 1999, the first anadromous adult returns from the captive broodstock program were recorded when six jacks and one jill were captured at the IDFG Sawtooth Fish Hatchery. In 2007, progeny from the captive broodstock program were released using four strategies: (1) eyed-eggs were planted in Pettit Lake in November; (2) age-0 presmolts were released to Alturas, Pettit, and Redfish lakes in October; (3) age-1 smolts were released into Redfish Lake Creek and the upper Salmon River in May; and (4) hatchery-produced adult sockeye salmon were released to Redfish Lake for volitional spawning in September. Oncorhynchus nerka population monitoring was conducted on Redfish, Alturas, and Pettit lakes using a midwater trawl in September 2007. Population abundances were estimated at 73,702 fish for Redfish Lake, 124,073 fish for Alturas Lake, and 14,746 fish for Pettit Lake. Angler surveys were conducted from May 26 through August 7, 2007 on Redfish Lake to estimate kokanee harvest. On Redfish Lake, we interviewed 102 anglers and estimated that 56 kokanee were harvested. The calculated kokanee catch rate was 0.03 fish/hour for each kokanee kept. The juvenile out-migrant trap on Redfish Lake Creek was operated from April 14 to June 13, 2007. We estimated that 5,280 natural origin and 14,256 hatchery origin sockeye salmon smolts out-migrated from

  11. Qualitative and quantitative reasoning about thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Skorstad, G.; Forbus, K.

    1989-11-01

    One goal of qualitative physics is to capture the tacit knowledge of engineers and scientists. It is shown how Qualitative Process theory can be used to express concepts of engineering thermodynamics. In particular, it is shown how to integrate qualitative and quantitative knowledge to solve textbook problems involving thermodynamic cycles, such as gas turbine plants and steam power plants. These ideas were implemented in a program called SCHISM. Its analysis of a sample textbook problem is described and plans for future work are discussed.

  12. Implementation of a damage model in a finite element program for computation of structures under dynamic loading

    Directory of Open Access Journals (Sweden)

    Nasserdine Oudni

    2016-01-01

    Full Text Available This work is a numerical simulation of nonlinear problems of the damage process and fracture of quasi-brittle materials especially concrete. In this study, we model the macroscopic behavior of concrete material, taking into account the phenomenon of damage. J. Mazars model whose principle is based on damage mechanics has been implemented in a finite element program written Fortran 90, it takes into account the dissymmetry of concrete behavior in tension and in compression, this model takes into account the cracking tensile and rupture in compression. It is a model that is commonly used for static and pseudo-static systems, but in this work, it was used in the dynamic case.

  13. Snake River Sockeye Salmon Captive Broodstock Program; Research Element, 2003 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Willard, Catherine; Plaster, Kurtis; Castillo, Jason (Idaho Department of Fish and Game, Boise, ID)

    2005-01-01

    On November 20, 1991, the National Oceanic Atmospheric Administration listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Shoshone-Bannock Tribes (SBT) and Idaho Department of Fish and Game (IDFG) initiated the Snake River Sockeye Salmon Captive Broodstock Program to conserve and rebuild populations in Idaho. Restoration efforts are focused on Redfish, Pettit, and Alturas lakes within the Sawtooth Valley. The first release of hatchery-produced adults occurred in 1993. The first release of juvenile sockeye salmon from the captive broodstock program occurred in 1994. In 1999, the first anadromous adult returns from the captive broodstock program were recorded when six jacks and one jill were captured at the IDFG Sawtooth Fish Hatchery. In 2003, progeny from the captive broodstock program were released using three strategies: eyed-eggs were planted in Pettit and Alturas lakes in November and December, age-0 presmolts were released to Alturas, Pettit, and Redfish lakes in October, and hatchery-produced adult sockeye salmon were released to Redfish Lake for volitional spawning in September. Oncorhynchus nerka population monitoring was conducted on Redfish, Alturas, and Pettit lakes using a midwater trawl in September 2003. Age-0 through age-4 O. nerka were captured in Redfish Lake, and population abundance was estimated at 81,727 fish. Age-0 through age-3 O. nerka were captured in Alturas Lake, and population abundance was estimated at 46,234 fish. Age-0 through age-3 O. nerka were captured in Pettit Lake, and population abundance was estimated at 11,961 fish. Angler surveys were conducted from May 25 through August 7, 2003 on Redfish Lake to estimate kokanee harvest. On Redfish Lake, we interviewed 179 anglers and estimated that 424 kokanee were harvested. The calculated kokanee catch rate was 0.09 fish/hour. The juvenile out-migrant trap on Redfish Lake Creek was operated from April 15 to May 29

  14. Snake River Sockeye Salmon Captive Broodstock Program; Research Element, 2001 Annual Report.

    Energy Technology Data Exchange (ETDEWEB)

    Hebdon, J. Lance; Castillo, Jason; Willard, Catherine (Idaho Department of Fish and Game, Boise, ID)

    2003-12-01

    On November 20, 1991, the National Marine Fisheries Service listed Snake River sockeye salmon Oncorhynchus nerka as endangered under the Endangered Species Act of 1973. In 1991, the Shoshone-Bannock Tribes and Idaho Department of Fish and Game initiated the Snake River Sockeye Salmon Sawtooth Valley Project to conserve and rebuild populations in Idaho. Restoration efforts are focusing on Redfish, Pettit, and Alturas lakes within the Sawtooth Valley. The first release of hatchery-produced juvenile sockeye salmon from the captive broodstock program occurred in 1994. The first anadromous adult returns from the captive broodstock program were recorded in 1999, when six jacks and one jill were captured at Idaho Department of Fish and Game's Sawtooth Fish Hatchery. In 2001, progeny from the captive broodstock program were released using four strategies: age-0 presmolts were released to all three lakes in October and to Pettit and Alturas lakes in July; age-1 smolts were released to Redfish Lake Creek, and hatchery-produced adult sockeye salmon were released to Redfish Lake for volitional spawning in September along with anadromous adult sockeye salmon that returned to the Sawtooth basin and were not incorporated into the captive broodstock program. Kokanee population monitoring was conducted on Redfish, Alturas, and Pettit lakes using a midwater trawl in September. Only age-0 and age-1 kokanee were captured on Redfish Lake, resulting in a population estimate of 12,980 kokanee. This was the second lowest kokanee abundance estimated since 1990. On Alturas Lake age-0, age-1, and age-2 kokanee were captured, and the kokanee population was estimated at 70,159. This is a mid range kokanee population estimate for Alturas Lake, which has been sampled yearly since 1990. On Pettit Lake only age-1 kokanee were captured, and the kokanee population estimate was 16,931. This estimate is in the midrange of estimates of the kokanee population in Pettit Lake, which has been sampled

  15. The formation, elements of success, and challenges in managing a critical care program: Part I.

    Science.gov (United States)

    St Andre, Arthur

    2015-04-01

    Leaders of critical care programs have significant responsibility to develop and maintain a system of intensive care. At inception, those clinician resources necessary to provide and be available for the expected range of patient illness and injury and throughput are determined. Simultaneously, non-ICU clinical responsibilities and other expectations, such as education of trainees and participation in hospital operations, must be understood. To meet these responsibilities, physicians must be recruited, mentored, and retained. The physician leader may have similar responsibilities for nonphysician practitioners. In concert with other critical care leaders, the service adopts a model of care and assembles an ICU team of physicians, nurses, nonphysician providers, respiratory therapists, and others to provide clinical services. Besides clinician resources, leaders must assure that services such as radiology, pharmacy, the laboratory, and information services are positioned to support the complexities of ICU care. Metrics are developed to report success in meeting process and outcomes goals. Leaders evolve the system of care by reassessing and modifying practice patterns to continually improve safety, efficacy, and efficiency. Major emphasis is placed on the importance of continuity, consistency, and communication by expecting practitioners to adopt similar practices and patterns. Services anticipate and adapt to evolving expectations and resource availability. Effective services will result when skilled practitioners support one another and ascribe to a service philosophy of care.

  16. Human Research Program Human Health Countermeasures Element: Evidence Report - Artificial Gravity

    Science.gov (United States)

    Clement, Gilles

    2015-01-01

    The most serious risks of long-duration flight involve radiation, behavioral stresses, and physiological deconditioning. Artificial gravity (AG), by substituting for the missing gravitational cues and loading in space, has the potential to mitigate the last of these risks by preventing the adaptive responses from occurring. The rotation of a Mars-bound spacecraft or an embarked human centrifuge offers significant promise as an effective, efficient multi-system countermeasure against the physiological deconditioning associated with prolonged weightlessness. Virtually all of the identified risks associated with bone loss, muscle weakening, cardiovascular deconditioning, and sensorimotor disturbances might be alleviated by the appropriate application of AG. However, experience with AG in space has been limited and a human-rated centrifuge is currently not available on board the ISS. A complete R&D program aimed at determining the requirements for gravity level, gravity gradient, rotation rate, frequency, and duration of AG exposure is warranted before making a decision for implementing AG in a human spacecraft.

  17. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2010-01-01

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

  18. Statistical thermodynamics of alloys

    CERN Document Server

    Gokcen, N A

    1986-01-01

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

  19. Extended Irreversible Thermodynamics

    CERN Document Server

    Jou, David

    2010-01-01

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

  20. Thermodynamics II essentials

    CERN Document Server

    REA, The Editors of

    2013-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics II includes review of thermodynamic relations, power and refrigeration cycles, mixtures and solutions, chemical reactions, chemical equilibrium, and flow through nozzl

  1. Thermodynamics for engineers

    CERN Document Server

    Wong, Kaufui Vincent

    2011-01-01

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

  2. Concise chemical thermodynamics

    CERN Document Server

    Peters, APH

    2010-01-01

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

  3. Mechanics, Waves and Thermodynamics

    Science.gov (United States)

    Ranjan Jain, Sudhir

    2016-05-01

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

  4. Beyond Equilibrium Thermodynamics

    Science.gov (United States)

    Öttinger, Hans Christian

    2005-01-01

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

  5. The NASA/industry Design Analysis Methods for Vibrations (DAMVIBS) program: Boeing Helicopters airframe finite element modeling

    Science.gov (United States)

    Gabel, R.; Lang, P.; Reed, D.

    1993-01-01

    Mathematical models based on the finite element method of structural analysis, as embodied in the NASTRAN computer code, are routinely used by the helicopter industry to calculate airframe static internal loads used for sizing structural members. Historically, less reliance has been placed on the vibration predictions based on these models. Beginning in the early 1980's NASA's Langley Research Center initiated an industry wide program with the objective of engendering the needed trust in vibration predictions using these models and establishing a body of modeling guides which would enable confident future prediction of airframe vibration as part of the regular design process. Emphasis in this paper is placed on the successful modeling of the Army/Boeing CH-47D which showed reasonable correlation with test data. A principal finding indicates that improved dynamic analysis requires greater attention to detail and perhaps a finer mesh, especially the mass distribution, than the usual stress model. Post program modeling efforts show improved correlation placing key modal frequencies in the b/rev range with 4 percent of the test frequencies.

  6. Thermodynamic Study of Sn-Bi-Nd, Tb Ternary Systems

    Science.gov (United States)

    Xu, F.; Chen, Y. T.; Ye, R.; Chen, Y. Y.; Su, X. H.; Wang, S. L.; Fu, C. Y.

    2017-09-01

    The aim of this study was to investigate the effect of the addition of rare earth elements on Sn-Bi-based alloy, and to study the phase equilibrium of Sn-Bi-Nd, Tb ternary systems by means of establishing the thermodynamic database. Combined with the thermodynamic parameters of relevant binary systems, the thermodynamic database of the Sn-Bi-Nd, Tb ternary systems has been developed to present the significant information for the design of low-temperature lead-free solder alloys.

  7. Experimental thermodynamics experimental thermodynamics of non-reacting fluids

    CERN Document Server

    Neindre, B Le

    2013-01-01

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

  8. The thermodynamic database COST MP0602 for materials for high-temperature lead-free soldering

    Directory of Open Access Journals (Sweden)

    Kroupa A.

    2012-01-01

    Full Text Available The current state of thermodynamic modelling in the field of high-temperature lead-free soldering is presented. A consistent thermodynamic database, containing 18 elements (Ag, Al, Au, Bi, Co, Cu, Ga, Ge, Mg, Ni, P, Pb, Pd, Sb, Sn, Ti and Zn has been created. The thermodynamic data for the most of the important binary and selected ternary systems were checked and included into the database. The database was tested using major commercial software packages. Such reliable and sophisticated software coupled to reliable thermodynamic databases are necessary prerequisites for application of thermodynamics in advanced alloys design.

  9. The Thermodynamics of Black Holes

    National Research Council Canada - National Science Library

    Emparan, Roberto; Tinto, Massimo; Barbero G, J Fernando; Heusler, Markus; Rendall, Alan D; Adamo, Timothy M; Liebling, Steven L; Sasaki, Misao; Poisson, Eric; Wald, Robert M; Postnov, Konstantin A; Amendola, Luca; Shibata, Masaru; Tagoshi, Hideyuki; Reall, Harvey S; Kozameh, Carlos; Palenzuela, Carlos; Yungelson, Lev R; Villaseñor, Eduardo J. S; Appleby, Stephen; Taniguchi, Keisuke; Dhurandhar, Sanjeev V; Bacon, David; Newman, Ezra T; Baker, Tessa; Baldi, Marco; Bartolo, Nicola; Blanchard, Alain; Bonvin, Camille; Borgani, Stefano; Branchini, Enzo; Burrage, Clare; Camera, Stefano; Carbone, Carmelita; Casarini, Luciano; Cropper, Mark; de Rham, Claudia; Di Porto, Cinzia; Ealet, Anne; Ferreira, Pedro G; Finelli, Fabio; García-Bellido, Juan; Giannantonio, Tommaso; Guzzo, Luigi; Heavens, Alan; Heisenberg, Lavinia; Heymans, Catherine; Hoekstra, Henk; Hollenstein, Lukas; Holmes, Rory; Horst, Ole; Jahnke, Knud; Kitching, Thomas D; Koivisto, Tomi; Kunz, Martin; La Vacca, Giuseppe; March, Marisa; Majerotto, Elisabetta; Markovic, Katarina; Marsh, David; Marulli, Federico; Massey, Richard; Mellier, Yannick; Mota, David F; Nunes, Nelson J; Percival, Will; Pettorino, Valeria; Porciani, Cristiano; Quercellini, Claudia; Read, Justin; Rinaldi, Massimiliano; Sapone, Domenico; Scaramella, Roberto; Skordis, Constantinos; Simpson, Fergus; Taylor, Andy; Thomas, Shaun; Trotta, Roberto; Verde, Licia; Vernizzi, Filippo; Vollmer, Adrian; Wang, Yun; Weller, Jochen; Zlosnik, Tom

    ...We review the present status of black hole thermodynamics. Our review includes discussion of classical black hole thermodynamics, Hawking radiation from black holes, the generalized second law, and the issue of entropy bounds...

  10. Thermodynamics with Design Problems.

    Science.gov (United States)

    Cilento, E. V.; Sears, J. T.

    1983-01-01

    Discusses how basic thermodynamics concepts are integrated with design problems. Includes course goals, instructional strategies, and major advantages/disadvantages of the integrated design approach. Advantages include making subject more concrete, emphasizing interrelation of variables, and reinforcing concepts by use in design analysis; whereas…

  11. Thermodynamics of meat proteins

    NARCIS (Netherlands)

    Sman, van der R.G.M.

    2012-01-01

    We describe the water activity of meat, being a mixture of proteins, salts and water, by the Free-Volume-Flory–Huggins (FVFH) theory augmented with the equation. Earlier, the FVFH theory is successfully applied to describe the thermodynamics to glucose homopolymers like starch, dextrans and

  12. Thermodynamics and statistical mechanics

    CERN Document Server

    Landsberg, Peter T

    1990-01-01

    Exceptionally articulate treatment combines precise mathematical style with strong physical intuition. Wide range of applications includes negative temperatures, negative heat capacities, special and general relativistic effects, black hole thermodynamics, gravitational collapse, more. Over 100 problems with worked solutions. Advanced undergraduate, graduate level. Table of applications. Useful formulas and other data.

  13. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

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

    2014-01-01

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

  14. Thermodynamic stabilization of colloids

    NARCIS (Netherlands)

    Stol, R.J.; Bruyn, P.L. de

    An analysis is given of the conditions necessary for obtaining a thermodynamically stable dispersion (TSD) of solid particles in a continuous aqueous solution phase. The role of the adsorption of potential-determining ions at the planar interface in lowering the interfacial free energy (γ) to

  15. The thermodynamics of portfolios

    OpenAIRE

    Piotrowski, Edward W.; Jan Sladkowski

    2000-01-01

    We propose a new method of valuation of portfolios and their respective investing strategies. To this end we define a canonical ensemble of portfolios that allows to use the formalism of thermodynamics. (final version published in Acta Phys.Pol.B,32(2001)597-604)

  16. On Teaching Thermodynamics

    Science.gov (United States)

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  17. Thermodynamical Arguments against Evolution

    Science.gov (United States)

    Rosenhouse, Jason

    2017-01-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be…

  18. Thermodynamic indicators for environmental certification.

    Science.gov (United States)

    Panzieri, Margherita; Porcelli, Marcello; Pulselli, Federico Maria

    2002-09-01

    The Earth is an open thermodynamic system, that remains in a steady state far from the equilibrium, through energy and matter exchanges with the surrounding environment. These natural constraints, which prevent the system from maximizing its entropy, are threatened by human action and our ecosystem needs urgent protection. In this viewpoint the environmental certification was born, according to international standards ISO 14001, ISO 14040, and European Regulation EMAS. These are voluntary adhesions to a program of environmental protection by companies, administrations and organizations which, starting from the respect of the existing environmental laws and regulations, decide to further improve their environmental performance. To obtain and maintain certification of a system is necessary to apply some indicators to evaluate its environmental performance and to demonstrate its progressive improvement. Here we propose to use for this purpose the thermodynamic indicators produced from energy analysis by Odum. The case study is Montalcino city (Italy) and energy indicators are used to evaluate environmental performance of this system where exist different activities, from agricultural productions, to tourism. Results show that energy analysis could become a valid standard monitoring method for environmental certification, especially in consideration of its wide application field.

  19. Thermodynamics Far from the Thermodynamic Limit.

    Science.gov (United States)

    de Miguel, Rodrigo; Rubí, J Miguel

    2017-11-16

    Understanding how small systems exchange energy with a heat bath is important to describe how their unique properties can be affected by the environment. In this contribution, we apply Landsberg's theory of temperature-dependent energy levels to describe the progressive thermalization of small systems as their spectrum is perturbed by a heat bath. We propose a mechanism whereby the small system undergoes a discrete series of excitations and isentropic spectrum adjustments leading to a final state of thermal equilibrium. This produces standard thermodynamic results without invoking system size. The thermal relaxation of a single harmonic oscillator is analyzed as a model example of a system with a quantized spectrum than can be embedded in a thermal environment. A description of how the thermal environment affects the spectrum of a small system can be the first step in using environmental factors, such as temperature, as parameters in the design and operation of nanosystem properties.

  20. Thermodynamics for the practicing engineer

    CERN Document Server

    Theodore, Louis; Vanvliet, Timothy

    2009-01-01

    This book concentrates specifically on the applications of thermodynamics, rather than the theory. It addresses both technical and pragmatic problems in the field, and covers such topics as enthalpy effects, equilibrium thermodynamics, non-ideal thermodynamics and energy conversion applications. Providing the reader with a working knowledge of the principles of thermodynamics, as well as experience in their application, it stands alone as an easy-to-follow self-teaching aid to practical applications and contains worked examples.

  1. Advantages of the iridium permanent modifier in fast programs applied to trace-element analysis of plant samples by electrothermal atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Vassileva, E.; Baeten, H.; Hoenig, M. [Centre for Veterinary and Agrochemical Research (CERVA), Tervuren (Belgium)

    2001-03-01

    The application of a fast program combined with the advantages of the iridium permanent modifier is proposed for trace element analysis of plant samples by electrothermal atomic absorption spectrometry (ETAAS). For two volatile elements (Cd, Pb) and two mid-refractory elements (Cr, Ni) it was demonstrated that coating of the platform or of the tube atomization area with Ir is an efficient means of improving the accuracy and precision of results. A detailed study of interference from individual main matrix components and from composite plant matrices has confirmed the usefulness of the whole approach. The validity of the method has been confirmed by analysis of eight reference plant materials. (orig.)

  2. A spreadsheet-coupled SOLGAS: A computerized thermodynamic equilibrium calculation tool. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Trowbridge, L.D.; Leitnaker, J.M. [Oak Ridge K-25 Site, TN (United States). Technical Analysis and Operations Div.

    1995-07-01

    SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several ``bells and whistles`` have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised spreadsheet-based format for entering data, including non-ideal binary and ternary mixtures, simplifies and reduces chances for error. Calculational errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed on line. The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatibles with at least 384 bytes of low RAM, are available from the authors. This user manual contains appendices with examples of the use of SOLGAS. These range from elementary examples, such as, the relationships among water, ice, and water vapor, to more complex systems: phase diagram calculation of UF{sub 4} and UF{sub 6} system; burning UF{sub 4} in fluorine; thermodynamic calculation of the Cl-F-O-H system; equilibria calculations in the CCl{sub 4}--CH{sub 3}OH system; and limitations applicable to aqueous solutions. An appendix also contains the source code.

  3. Critical Elements for Successful Implementation and Adoption of Authentic Scientific Research Programs: Lessons Learned from NASA's Mars Student Imaging Project

    Science.gov (United States)

    Klug Boonstra, S.; Swann, J.; Boonstra, D.; Manfredi, L.; Christensen, P. R.

    2016-12-01

    Recent research identifies the most effective learning as active, engaged learning in which students interact with phenomena, other students, and the teacher/leader to derive meaning and construct understanding of their surroundings. "Similarly, an engaging and effective science education goes well beyond the low-level factual recall that is emphasized in many science classes. It must develop the skills that students need to solve complex problems, work in teams, make and recognize evidence-based arguments, and interpret and communicate complex information" (emphasis added). Authentic science research projects provide active, engaged learning in which students interact with authentic science data in an authentic problem-solving context to derive meaning and construct understanding of the world. In formal (and many informal) settings, the teacher/leader is effectively the gatekeeper who determines the learning experiences in which the students will participate. From our experience of nearly a decade and a half of authentic science programming for 5thgrade through early college students working with NASA Mars data, supporting and enabling the teacher is perhaps the most critical and foundational element for designing a successful authentic research experience. Yet, a major barrier to this type of learning are teacher/leaders who are too often not equipped or who lack confidence to succeed in facilitating authentic research projects. The Mars Student Imaging Project has implemented an iterative process of design, testing, and redesign that has identified and implemented critical teacher/leader-enabling elements that have led to increasingly successful adoptions within formal and informal educational settings - allowing more students to gain the benefits of immersive research experience.

  4. Trace element concentration in wheat grain: results from the Swedish long-term soil fertility experiments and national monitoring program.

    Science.gov (United States)

    Kirchmann, Holger; Mattsson, Lennart; Eriksson, Jan

    2009-10-01

    Concentrations of trace elements in wheat grain sampled between 1967 and 2003 from the Swedish long-term soil fertility experiments were analyzed using ICP-MS. The long-term effect of inorganic and organic fertilization on trace metal concentrations was investigated including the impact of atmospheric deposition and myccorhiza, whereas other factors such as soil conditions, crop cultivar, etc. are not discussed in this paper. Mean values derived from 10 experimental sites were reported. Significantly declining Pb and Cd concentrations in wheat grain could be explained by lower atmospheric deposition. Mean Se contents in all samples were 0.031 mg kg(-1) grain dry weight. No samples had sufficiently high Se concentrations for human (0.05 mg Se kg(-1)) or animal demand (0.1 mg Se kg(-1)). Concentrations of Co in wheat grain were extremely low, 0.002-0.005 mg Co kg(-1) grain dry weight, and far below the minimum levels required by animals, which applied to all fertilizer treatments. A doubling of Mo concentrations in grain since 1975 resulted in Cu/Mo ratios often below one, which may cause molybdenosis in ruminants. The increase in Mo concentrations in crops correlated with the decline in sulfur deposition. Concentrations of Cu and Fe declined in NPK-fertilized wheat as compared to unfertilized or manure-treated wheat. Very low concentrations of Se and Co and low concentrations of Fe and Cu require attention to counteract risks for deficiencies. The main characteristic of the study is that there are few significant changes over time between different fertilizer treatments, but throughout there are low concentrations of most trace elements in all treatments. In general, good agreement between concentrations in wheat from the long-term fertility experiments and the national monitoring program indicate that values are representative.

  5. Finite-element nonlinear transient response computer programs PLATE 1 and CIVM-PLATE 1 for the analysis of panels subjected to impulse or impact loads

    Science.gov (United States)

    Spilker, R. L.; Witmer, E. A.; French, S. E.; Rodal, J. J. A.

    1980-01-01

    Two computer programs are described for predicting the transient large deflection elastic viscoplastic responses of thin single layer, initially flat unstiffened or integrally stiffened, Kirchhoff-Lov ductile metal panels. The PLATE 1 program pertains to structural responses produced by prescribed externally applied transient loading or prescribed initial velocity distributions. The collision imparted velocity method PLATE 1 program concerns structural responses produced by impact of an idealized nondeformable fragment. Finite elements are used to represent the structure in both programs. Strain hardening and strain rate effects of initially isotropic material are considered.

  6. Cantera and Cantera Electrolyte Thermodynamics Objects

    Energy Technology Data Exchange (ETDEWEB)

    2015-10-19

    Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It is a multi-organizational effort to create and formulate high quality 0D and 1D constitutive modeling tools for reactive transport codes.Institutions involved with the effort include Sandia, MIT, Colorado School of Mines, U. Texas, NASA, and Oak Ridge National Labs. Specific to Sandia's contributions, the Cantera Electrolyte Thermo Objects (CETO) packages is comprised of add-on routines for Cantera that handle electrolyte thermochemistry and reactions within the overall Cantera package. Cantera is a C++ Cal Tech code that handles gas phase species transport, reaction, and thermodynamics. With this addition, Cantera can be extended to handle problems involving liquid phase reactions and transport in electrolyte systems, and phase equilibrium problemsinvolving concentrated electrolytes and gas/solid phases. A full treatment of molten salt thermodynamics and transport has also been implemented in CETO. The routines themselves consist of .cpp and .h files containing C++ objects that are derived from parent Cantera objects representing thermodynamic functions. They are linked unto the main Cantera libraries when requested by the user. As an addendum to the main thermodynamics objects, several utility applications are provided. The first is multiphase Gibbs free energy minimizer based on the vcs algorithm, called vcs_cantera. This code allows for the calculation of thermodynamic equilibrium in multiple phases at constant temperature and pressure. Note, a similar code capability exists already in Cantera. This version follows the same algorithm, but gas a different code-base starting point, and is used as a research tool for algorithm development. The second program, cttables, prints out tables of thermodynamic and kinetic information for thermodynamic and kinetic objects within Cantera. This program serves as a "Get the

  7. Elements of Dynamic Programming,

    Science.gov (United States)

    1981-02-02

    UuJACJCIMOIC 3 IICP- ~I) ovio orpacAb. itiafpe.iclclcoe FiA KOAI14CCTnO CptACTO Y1=- - X,1 , nNAeActmIole so DropylO OTP.ICJb DOC = 0151504 PAGE...again all ressvu .te ara packed intc tranch II;their remaiader/residue at tle fau or tae CiLtn year (and entira period) will ie equal tc 0.04 20. iu...we ccnatruct the sesries of curves fcz fau ..t .a w3 ., aependlnS ca X3 IFig. 12.5). For each of these curves we ,oe kuit wi.th the maximum ordinate

  8. The First Law of Thermodynamics for Ecosystems. Physical Processes in Terrestrial and Aquatic Ecosystems, Thermodynamics.

    Science.gov (United States)

    Stevenson, R. D.

    These materials were designed to be used by life science students for instruction in the application of physical theory to ecosystem operation. Most modules contain computer programs which are built around a particular application of a physical process. This module and a comparison module are concerned with elementary concepts of thermodynamics as…

  9. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2013-01-01

    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

  10. Mechanics and thermodynamics

    CERN Document Server

    Demtröder, Wolfgang

    2017-01-01

    This introduction to classical mechanics and thermodynamics provides an accessible and clear treatment of the fundamentals. Starting with particle mechanics and an early introduction to special relativity this textbooks enables the reader to understand the basics in mechanics. The text is written from the experimental physics point of view, giving numerous real life examples and applications of classical mechanics in technology. This highly motivating presentation deepens the knowledge in a very accessible way. The second part of the text gives a concise introduction to rotational motion, an expansion to rigid bodies, fluids and gases. Finally, an extensive chapter on thermodynamics and a short introduction to nonlinear dynamics with some instructive examples intensify the knowledge of more advanced topics. Numerous problems with detailed solutions are perfect for self study.

  11. Thermodynamics and emergent universe

    OpenAIRE

    Ghosh, Saumya; Gangopadhyay, Sunandan

    2016-01-01

    We show that in the isentropic scenario the first order thermodynamical particle creation model gives an emergent universe solution even when the chemical potential is non-zero. However there exists no emergent universe scenario in the second order non-equilibrium theory for the particle creation model. We then point out a correspondence between the particle creation model with barotropic equation of state and the equation of state giving rise to an emergent universe without particle creation...

  12. The discovery of thermodynamics

    Science.gov (United States)

    Weinberger, Peter

    2013-07-01

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

  13. Thermodynamic equilibrium at heterogeneous pressure

    Science.gov (United States)

    Vrijmoed, Johannes C.; Podladchikov, Yuri Y.

    2014-05-01

    Recent advances in metamorphic petrology point out the importance of grain-scale pressure variations in high-temperature metamorphic rocks. Pressures derived from chemical zonation using unconventional geobarometry based on equal chemical potentials fit mechanically feasible pressure variations. Here a thermodynamic equilibrium method is presented that predicts chemical zoning as a result of pressure variations by Gibbs energy minimization. Equilibrium thermodynamic prediction of the chemical zoning in the case of pressure heterogeneity is done by constraint Gibbs minimization using linear programming techniques. Compositions of phases considered in the calculation are discretized into 'pseudo-compounds' spanning the entire compositional space. Gibbs energies of these discrete compounds are generated for a given range and resolution of pressures for example derived by barometry or from mechanical model predictions. Gibbs energy minimization is subsequently performed considering all compounds of different composition and pressure. In addition to constraining the system composition a certain proportion of the system is constraint at a specified pressure. Input pressure variations need to be discretized and each discrete pressure defines an additional constraint for the minimization. The proportion of the system at each different pressure is equally distributed over the number of input pressures. For example if two input pressures P1 and P2 are specified, two constraints are added: 50 percent of the system is constraint at P1 while the remaining 50 percent is constraint at P2. The method has been tested for a set of 10 input pressures obtained by Tajčmanová et al. (2014) using their unconventional geobarometry method in a plagioclase rim around kyanite. Each input pressure is added as constraint to the minimization (1/10 percent of the system for each discrete pressure). Constraining the system composition to the average composition of the plagioclase rim

  14. Thermodynamics: The Unique Universal Science

    Directory of Open Access Journals (Sweden)

    Wassim M. Haddad

    2017-11-01

    Full Text Available Thermodynamics is a physical branch of science that governs the thermal behavior of dynamical systems from those as simple as refrigerators to those as complex as our expanding universe. The laws of thermodynamics involving conservation of energy and nonconservation of entropy are, without a doubt, two of the most useful and general laws in all sciences. The first law of thermodynamics, according to which energy cannot be created or destroyed, merely transformed from one form to another, and the second law of thermodynamics, according to which the usable energy in an adiabatically isolated dynamical system is always diminishing in spite of the fact that energy is conserved, have had an impact far beyond science and engineering. In this paper, we trace the history of thermodynamics from its classical to its postmodern forms, and present a tutorial and didactic exposition of thermodynamics as it pertains to some of the deepest secrets of the universe.

  15. Thermodynamics of adaptive molecular resolution.

    Science.gov (United States)

    Delgado-Buscalioni, R

    2016-11-13

    A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U(1)-U(0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  16. Electronic Devices, Methods, and Computer Program Products for Selecting an Antenna Element Based on a Wireless Communication Performance Criterion

    DEFF Research Database (Denmark)

    2014-01-01

    A method of operating an electronic device includes providing a plurality of antenna elements, evaluating a wireless communication performance criterion to obtain a performance evaluation, and assigning a first one of the plurality of antenna elements to a main wireless signal reception and trans...

  17. Time and Thermodynamics

    CERN Document Server

    Kirkland, Kyle

    2007-01-01

    Temperature is vital to the health and welfare of all living beings, and Earth's temperature varies considerably from place to place. Early humans could only live in warm areas such as the tropics. Although modern humans have the technology to keep their houses and offices warm even in cold environments, the growth and development of civilization has created unintentional effects. Cities are warmer than their surrounding regions, and on a global scale, Earth is experiencing rising temperatures. Thus, the science of thermodynamics offers an important tool to study these effects. "Time and

  18. Molecular thermodynamics of nonideal fluids

    CERN Document Server

    Lee, Lloyd L

    2013-01-01

    Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to the concepts and principles behind and the advances in molecular thermodynamics of nonideal fluids. The book covers related topics such as the laws of thermodynamics; entropy; its ensembles; the different properties of the ideal gas; and the structure of liquids. Also covered in the book are topics such as integral equation theories; theories for polar fluids; solution thermodynamics; and molecular dynamics. The text is recommended for engineers who would like to be familiarized with the concept

  19. Thermodynamics of Accelerating Black Holes.

    Science.gov (United States)

    Appels, Michael; Gregory, Ruth; Kubizňák, David

    2016-09-23

    We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

  20. Thermodynamics of Fluid Polyamorphism

    Science.gov (United States)

    Anisimov, Mikhail A.; Duška, Michal; Caupin, Frédéric; Amrhein, Lauren E.; Rosenbaum, Amanda; Sadus, Richard J.

    2018-01-01

    Fluid polyamorphism is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium, carbon, silicon, phosphorous, sulfur, tellurium, cerium, hydrogen, and tin tetraiodide. This phenomenon is also hypothesized for metastable and deeply supercooled water, presumably located a few degrees below the experimental limit of homogeneous ice formation. We present a generic phenomenological approach to describe polyamorphism in a single-component fluid, which is completely independent of the molecular origin of the phenomenon. We show that fluid polyamorphism may occur either in the presence or in the absence of fluid phase separation depending on the symmetry of the order parameter. In the latter case, it is associated with a second-order transition, such as in liquid helium or liquid sulfur. To specify the phenomenology, we consider a fluid with thermodynamic equilibrium between two distinct interconvertible states or molecular structures. A fundamental signature of this concept is the identification of the equilibrium fraction of molecules involved in each of these alternative states. However, the existence of the alternative structures may result in polyamorphic fluid phase separation only if mixing of these structures is not ideal. The two-state thermodynamics unifies all the debated scenarios of fluid polyamorphism in different areas of condensed-matter physics, with or without phase separation, and even goes beyond the phenomenon of polyamorphism by generically describing the anomalous properties of fluids exhibiting interconversion of alternative molecular states.

  1. Thermodynamics of geothermal fluids

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, P.S.Z.

    1981-03-01

    A model to predict the thermodynamic properties of geothermal brines, based on a minimum amount of experimental data on a few key systems, is tested. Volumetric properties of aqueous sodium chloride, taken from the literature, are represented by a parametric equation over the range 0 to 300{sup 0}C and 1 bar to 1 kbar. Density measurements at 20 bar needed to complete the volumetric description also are presented. The pressure dependence of activity and thermal properties, derived from the volumetric equation, can be used to complete an equation of state for sodium chloride solutions. A flow calorimeter, used to obtain heat capacity data at high temperatures and pressures, is described. Heat capacity measurements, from 30 to 200{sup 0}C and 1 bar to 200 bar, are used to derive values for the activity coefficient and other thermodynamic properties of sodium sulfate solutions as a function of temperature. Literature data on the solubility of gypsum in mixed electrolyte solutions have been used to evaluate model parameters for calculating gypsum solubility in seawater and natural brines. Predictions of strontium and barium sulfate solubility in seawater also are given.

  2. Biochemical Thermodynamics under near Physiological Conditions

    Science.gov (United States)

    Mendez, Eduardo

    2008-01-01

    The recommendations for nomenclature and tables in Biochemical Thermodynamics approved by IUBMB and IUPAC in 1994 can be easily introduced after the chemical thermodynamic formalism. Substitution of the usual standard thermodynamic properties by the transformed ones in the thermodynamic equations, and the use of appropriate thermodynamic tables…

  3. Spreadsheets for Thermodynamics Instruction: Another Point of View.

    Science.gov (United States)

    Sandler, Stanley I.

    1997-01-01

    Responds to the suggestion that computational tools be used in undergraduate thermodynamics courses. Argues that instead of using spreadsheets or specially prepared programs, students can quickly develop their own worksheets and solve problems using an equation-solving software program such as MATHCAD. Emphasis is on understanding the fundamentals…

  4. Atomic Structure and Valence: Level II, Unit 10, Lesson 1; Chemical Bonding: Lesson 2; The Table of Elements: Lesson 3; Electrolysis: Lesson 4. Advanced General Education Program. A High School Self-Study Program.

    Science.gov (United States)

    Manpower Administration (DOL), Washington, DC. Job Corps.

    This self-study program for high-school level contains lessons on: Atomic Structure and Valence, Chemical Bonding, The Table of Elements, and Electrolysis. Each of the lessons concludes with a Mastery Test to be completed by the student. (DB)

  5. Thermodynamic optimization of heat exchanger tanks by exergy ...

    African Journals Online (AJOL)

    The paper introduces heat exchanger tanks, detailing their dominant thermodynamic relations to obtain the exergy analysis relations of heat exchanger tanks. Heat exchanger tank is examined under various laboratory conditions, including the power of heat element inside the tank, mass flow rate of cooling water of tank ...

  6. Development of a self-consistent thermodynamic- and transport-property correlation framework for the coal conversion industry. Phase I. Semiannual report, September 1, 1980-February 28, 1981

    Energy Technology Data Exchange (ETDEWEB)

    Starling, K.E.; Lee, L.L.; Kumar, K.H.

    1981-01-01

    During the first half year of this research program the following elements of research have been performed: (1) the development of an improved pure component data bank, including collection and processing of data which is 70% complete as to substance, (2) calculation of distillable coal fluid thermodynamic properties using a multiparameter corresponding states correlation, (3) application of the most general density-cubic equation of pure fluids and (4) initiation of research to extend the corresponding states correlation framework to polar fluids. Primary conclusions of the first phase of this research program are that the three parameter corresponding states correlation predicts lighter coal fluid properties to a reasonable level of accuracy, and that a cubic equation can predict pure fluid thermodynamic properties on par with non-cubic equations of state.

  7. Lost in folding space? Comparing four variants of the thermodynamic model for RNA secondary structure prediction

    National Research Council Canada - National Science Library

    Janssen, Stefan; Schudoma, Christian; Steger, Gerhard; Giegerich, Robert

    2011-01-01

    ... simplifications used by the programs on the outcome of the analysis. We extract four different models of the thermodynamic folding space which underlie the programs RNAFOLD, RNASHAPES, and RNASUBOPT...

  8. "Braingame Brian": Toward an Executive Function Training Program with Game Elements for Children with ADHD and Cognitive Control Problems.

    Science.gov (United States)

    Prins, Pier J M; Brink, Esther Ten; Dovis, Sebastiaan; Ponsioen, Albert; Geurts, Hilde M; de Vries, Marieke; van der Oord, Saskia

    2013-02-01

    In the area of childhood attention-deficit hyperactivity disorder, there is an urgent need for new, innovative, and child-focused treatments. A computerized executive functioning training with game elements aimed at enhancing self-control was developed. The first results are promising, and the next steps involve replication with larger samples, evaluating transfer of training effects to daily life, and enhancing motivation through more gaming elements.

  9. Strategy of Philosophy Education to Develop Thinking Children : An Analysis of Curriculum for Early Elementally School in the Program “Philosophy for Children”

    OpenAIRE

    Fukui, Suguru

    2014-01-01

    In this study, the author explores the strategy of the philosophy education to develop thinking children by analyzing of structures of the curriculum for early elementally school in the program “Philosophy for Children”. The curriculum consists of a storybook and instructional manual. The curriculum is structured so that children are made aware of problematical concepts in their own life, and then required to practice judge relations of concepts on their own experience. Children discover good...

  10. Thermodynamics of disordered Heisenberg model

    Science.gov (United States)

    Mulanix, Michael; Khatami, Ehsan

    Using numerical linked-cluster expansions, we study the thermodynamic properties of the disordered Heisenberg model on the square lattice. We implement a new technique for treating continuous disorder within the NLCE and obtain results for the energy, entropy, specific heat, and spin correlations in the thermodynamic limit.

  11. Thermodynamic aspects of energy conservation

    NARCIS (Netherlands)

    Gool, W. van

    1980-01-01

    Thermodynamics deals with processes in a time independent approach. Industrial productions and many other activities are bound to perform a certain production per unit of time. It will be demonstrated that the stationary process model is a useful tool in relating thermodynamic functions to the

  12. Thermodynamics from Car to Kitchen

    Science.gov (United States)

    Auty, Geoff

    2014-01-01

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

  13. The Thermodynamics of Black Holes

    Directory of Open Access Journals (Sweden)

    Wald Robert M.

    2001-01-01

    Full Text Available We review the present status of black hole thermodynamics. Our review includes discussion of classical black hole thermodynamics, Hawking radiation from black holes, the generalized second law, and the issue of entropy bounds. A brief survey also is given of approaches to the calculation of black hole entropy. We conclude with a discussion of some unresolved open issues.

  14. Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems

    Directory of Open Access Journals (Sweden)

    Christopher Jarzynski

    2017-01-01

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

  15. Applied thermodynamics: A new frontier for biotechnology

    DEFF Research Database (Denmark)

    Mollerup, Jørgen

    2006-01-01

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

  16. Thermodynamic properties of cryogenic fluids

    CERN Document Server

    Leachman, Jacob; Lemmon, Eric; Penoncello, Steven

    2017-01-01

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

  17. Thermodynamics and energy conversion

    CERN Document Server

    Struchtrup, Henning

    2014-01-01

    This textbook gives a thorough treatment of engineering thermodynamics with applications to classical and modern energy conversion devices.   Some emphasis lies on the description of irreversible processes, such as friction, heat transfer and mixing, and the evaluation of the related work losses. Better use of resources requires high efficiencies, therefore the reduction of irreversible losses should be seen as one of the main goals of a thermal engineer. This book provides the necessary tools.   Topics include: car and aircraft engines,  including Otto, Diesel and Atkinson cycles, by-pass turbofan engines, ramjet and scramjet;  steam and gas power plants, including advanced regenerative systems, solar tower, and compressed air energy storage; mixing and separation, including reverse osmosis, osmotic powerplants, and carbon sequestration; phase equilibrium and chemical equilibrium, distillation, chemical reactors, combustion processes, and fuel cells; the microscopic definition of entropy.    The book i...

  18. Thermodynamics of anisotropic branes

    Energy Technology Data Exchange (ETDEWEB)

    Ávila, Daniel [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70-542, México D.F. 04510 (Mexico); Fernández, Daniel [Max-Planck-Institut für Physik,Föhringer Ring 6, 80805 München (Germany); Patiño, Leonardo [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70-542, México D.F. 04510 (Mexico); Trancanelli, Diego [Institute of Physics, University of São Paulo,05314-970 São Paulo (Brazil)

    2016-11-22

    We study the thermodynamics of flavor D7-branes embedded in an anisotropic black brane solution of type IIB supergravity. The flavor branes undergo a phase transition between a ‘Minkowski embedding’, in which they lie outside of the horizon, and a ‘black hole embedding’, in which they fall into the horizon. This transition depends on the black hole temperature, its degree of anisotropy, and the mass of the flavor degrees of freedom. It happens either at a critical temperature or at a critical anisotropy. A general lesson we learn from this analysis is that the anisotropy, in this particular realization, induces similar effects as the temperature. In particular, increasing the anisotropy bends the branes more and more into the horizon. Moreover, we observe that the transition becomes smoother for higher anisotropies.

  19. Thermodynamics of Protein Aggregation

    Science.gov (United States)

    Osborne, Kenneth L.; Barz, Bogdan; Bachmann, Michael; Strodel, Birgit

    Amyloid protein aggregation characterizes many neurodegenerative disorders, including Alzheimer's, Parkinson's, and Creutz- feldt-Jakob disease. Evidence suggests that amyloid aggregates may share similar aggregation pathways, implying simulation of full-length amyloid proteins is not necessary for understanding amyloid formation. In this study we simulate GNNQQNY, the N-terminal prion-determining domain of the yeast protein Sup35 to investigate the thermodynamics of structural transitions during aggregation. We use a coarse-grained model with replica-exchange molecular dynamics to investigate the association of 3-, 6-, and 12-chain GNNQQNY systems and we determine the aggregation pathway by studying aggregation states of GN- NQQNY. We find that the aggregation of the hydrophilic GNNQQNY sequence is mainly driven by H-bond formation, leading to the formation of /3-sheets from the very beginning of the assembly process. Condensation (aggregation) and ordering take place simultaneously, which is underpinned by the occurrence of a single heat capacity peak only.

  20. Thermodynamics of Fluid Polyamorphism

    Directory of Open Access Journals (Sweden)

    Mikhail A. Anisimov

    2018-01-01

    Full Text Available Fluid polyamorphism is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium, carbon, silicon, phosphorous, sulfur, tellurium, cerium, hydrogen, and tin tetraiodide. This phenomenon is also hypothesized for metastable and deeply supercooled water, presumably located a few degrees below the experimental limit of homogeneous ice formation. We present a generic phenomenological approach to describe polyamorphism in a single-component fluid, which is completely independent of the molecular origin of the phenomenon. We show that fluid polyamorphism may occur either in the presence or in the absence of fluid phase separation depending on the symmetry of the order parameter. In the latter case, it is associated with a second-order transition, such as in liquid helium or liquid sulfur. To specify the phenomenology, we consider a fluid with thermodynamic equilibrium between two distinct interconvertible states or molecular structures. A fundamental signature of this concept is the identification of the equilibrium fraction of molecules involved in each of these alternative states. However, the existence of the alternative structures may result in polyamorphic fluid phase separation only if mixing of these structures is not ideal. The two-state thermodynamics unifies all the debated scenarios of fluid polyamorphism in different areas of condensed-matter physics, with or without phase separation, and even goes beyond the phenomenon of polyamorphism by generically describing the anomalous properties of fluids exhibiting interconversion of alternative molecular states.

  1. Thermodynamic study of Ti-V and Al-V systems using FactSage

    Directory of Open Access Journals (Sweden)

    Kostov A.

    2006-01-01

    Full Text Available Thermodynamic study of Ti-V and Al-V binary systems is presented in this paper. Investigations included thermodynamic determination of activities, coefficient of activities, partial and integral values Gibbs energies of mixing and excess energies at four different temperatures: 2000K, 2073K, 2200K and 2273K, as well as calculated phase diagrams for the investigated systems. The FactSage program was used for all thermodynamic calculations.

  2. Thermodynamic analysis of dust sulphation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Yang Yongxiang; Jokilaakso, A.

    1997-12-31

    Sulphation reactions of metal oxides with SO{sub 2} and O. or SO{sub 3} play significant roles in sulphation roasting of sulphide and oxide minerals as well as in desulphurisation process of combustion gases. In metallurgical waste-heat boilers for sulphide smelting, the sulphation of the oxidic flue dust in the atmosphere containing sulphur oxides is an unavoidable process, and the sulphation reactions have to be guided in a controlled way in the proper parts of the gas handling equipment. In this report, some thermodynamic analyses were conducted for the oxide sulphation reactions in relation to sulphide smelting processes. The phase stability of Me-S-O systems especially for oxides - sulphates equilibrium was studied under different thermodynamic conditions of gas compositions and temperatures. The sulphate stability was analysed for an example of gas compositions in the copper flash smelter of Outokumpu Harjavalta Metals Oy, in relation to temperature. In the report, most of the information was from literature. Moreover, a number of thermodynamic computations were carried out with the HSC program, and the constructed phase stability diagrams were compared with those from the literature whenever possible. The maximum temperatures for stable sulphates under normal operating conditions of the waste-heat boilers in sulphide smelting processes were obtained. This report will serve as the basis for the kinetic studies of the sulphation reactions and the sulphation reaction modelling in pyrometallurgical processes. (orig.) SULA 2 Programme. 36 refs.

  3. "Braingame Brian": Toward an Executive Function Training Program with Game Elements for Children with ADHD and Cognitive Control Problems

    NARCIS (Netherlands)

    Prins, P.J.M.; ten Brink, E.; Dovis, S.; Ponsioen, A.; Geurts, H.M.; de Vries, M.; van der Oord, S.

    2013-01-01

    In the area of childhood attention-deficit hyperactivity disorder, there is an urgent need for new, innovative, and child-focused treatments. A computerized executive functioning training with game elements aimed at enhancing self-control was developed. The first results are promising, and the next

  4. Thermodynamic Metrics and Optimal Paths

    Energy Technology Data Exchange (ETDEWEB)

    Sivak, David; Crooks, Gavin

    2012-05-08

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

  5. Statistical Thermodynamics of Disperse Systems

    DEFF Research Database (Denmark)

    Shapiro, Alexander

    1996-01-01

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

  6. The Thermodynamic Properties of Cubanite

    Science.gov (United States)

    Berger, E. L.; Lauretta, D. S.; Keller, L. P.

    2012-01-01

    CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

  7. The thermodynamic properties of benzothiazole and benzoxazole

    Energy Technology Data Exchange (ETDEWEB)

    Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.

    1991-08-01

    This research program, funded by the Department of Energy, Office of Fossil Energy, Advanced Extraction and Process Technology, provides accurate experimental thermochemical and thermophysical properties for key'' organic diheteroatom-containing compounds present in heavy petroleum feedstocks, and applies the experimental information to thermodynamic analyses of key hydrodesulfurization, hydrodenitrogenation, and hydrodeoxygenation reaction networks. Thermodynamic analyses, based on accurate information, provide insights for the design of cost-effective methods of heteroatom removal. The results reported here, and in a companion report to be completed, will point the way to the development of new methods of heteroatom removal from heavy petroleum. Measurements leading to the calculation of the ideal-gas thermodynamic properties are reported for benzothiazole and benzoxazole. Experimental methods included combustion calorimetry, adiabatic heat-capacity calorimetry, comparative ebulliometry, inclinded-piston gauge manometry, and differential-scanning calorimetry (d.s.c). Critical property estimates are made for both compounds. Entropies, enthalpies, and Gibbs energies of formation were derived for the ideal gas for both compounds for selected temperatures between 280 K and near 650 K. The Gibbs energies of formation will be used in a subsequent report in thermodynamic calculations to study the reaction pathways for the removal of the heteratoms by hydrogenolysis. The results obtained in this research are compared with values present in the literature. The failure of a previous adiabatic heat capacity study to see the phase transition in benzothiazole is noted. Literature vibrational frequency assignments were used to calculate ideal gas entropies in the temperature range reported here for both compounds. Resulting large deviations show the need for a revision of those assignments. 68 refs., 6 figs., 15 tabs.

  8. Thermodynamical string fragmentation

    Science.gov (United States)

    Fischer, Nadine; Sjöstrand, Torbjörn

    2017-01-01

    The observation of heavy-ion-like behaviour in pp collisions at the LHC suggests that more physics mechanisms are at play than traditionally assumed. The introduction e.g. of quark-gluon plasma or colour rope formation can describe several of the observations, but as of yet there is no established paradigm. In this article we study a few possible modifications to the Pythia event generator, which describes a wealth of data but fails for a number of recent observations. Firstly, we present a new model for generating the transverse momentum of hadrons during the string fragmentation process, inspired by thermodynamics, where heavier hadrons naturally are suppressed in rate but obtain a higher average transverse momentum. Secondly, close-packing of strings is taken into account by making the temperature or string tension environment-dependent. Thirdly, a simple model for hadron rescattering is added. The effect of these modifications is studied, individually and taken together, and compared with data mainly from the LHC. While some improvements can be noted, it turns out to be nontrivial to obtain effects as big as required, and further work is called for.

  9. Thermodynamic assessment of the dysprosium–gold binary system

    Energy Technology Data Exchange (ETDEWEB)

    Otmani, Samira, E-mail: samira.otmani@edu.uiz.ac.ma; Mahdouk, Kamal

    2015-11-05

    Phase relationships in Dy–Au binary system has been thermodynamically assessed by using the CALPHAD technique. Liquid and the solution phases, fcc-A1, bcc-A2 and hcp-A3, were treated as a substitutional solution model. The binary intermetallic compounds are treated as stoichiometric phases. All the thermodynamic parameters of various phases have been optimized and the calculated results are confronted with experimental data. - Highlights: • Rare earth elements are increasingly used in advanced materials. • To our knowledge, this system was not previously optimized. • A consistent set of thermodynamic parameters was optimized. • This work is the start point for the study of ternary systems with RE.

  10. Association theories for complex thermodynamics

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Rafiqul Gani

    2013-01-01

    Thermodynamics of complex systems (e.g. with associating molecules, multicomponent mixtures, multiphase equilibria, wide ranges of conditions, estimation of many different properties simultaneously) is a topic of great importance in chemical engineering and for a wide range of industrial...... promising direction for a general and useful for engineering purposes modeling of complex thermodynamics is via the use of association theories e.g. those based on chemical theory (like APACT), or on the lattice theory (like NRHB) or those based on perturbation theory (like SAFT and CPA). The purpose...... applications. While specialized models can handle different cases, even complex ones, with the advent of powerful theories and computers there is the hope that a single or a few models could be suitable for a general modeling of complex thermodynamics. After more than 100 years with active use of thermodynamic...

  11. Experimental approaches to membrane thermodynamics

    DEFF Research Database (Denmark)

    Westh, Peter

    2009-01-01

    Thermodynamics describes a system on the macroscopic scale, yet it is becoming an important tool for the elucidation of many specific molecular aspects of membrane properties. In this note we discuss this application of thermodynamics, and give a number of examples on how thermodynamic measuremen...... have contributed to the understanding of specific membrane phenomena. We mainly focus on non-specific interactions of bilayers and small molecules (water and solutes) in the surrounding solvent, and the changes in membrane properties they bring about. Differences between thermodynamic...... and stoichiometric (structural) definitions of non-specific binding or partitioning are emphasized, and it is concluded that this distinction is important for weak, but not for strong, interactions....

  12. Spectrophotometric Determination and Thermodynamic Parameters ...

    African Journals Online (AJOL)

    Erah

    Spectrophotometric Determination and Thermodynamic. Parameters of Charge Transfer Complexation Between. Stavudine and Chloranilic Acid. Wilfred O Obonga, Edwin O Omeje*, Philip F Uzor and Malachy O Ugwu. Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University ...

  13. Shock Thermodynamic Applied Research Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Shock Thermodynamic Applied Research Facility (STAR) facility, within Sandia’s Solid Dynamic Physics Department, is one of a few institutions in the world with a...

  14. POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field

    Science.gov (United States)

    Chuluunbaatar, O.; Gusev, A. A.; Gerdt, V. P.; Rostovtsev, V. A.; Vinitsky, S. I.; Abrashkevich, A. G.; Kaschiev, M. S.; Serov, V. V.

    2008-02-01

    A FORTRAN 77 program is presented which calculates with the relative machine precision potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field. The potential curves are eigenvalues corresponding to the angular oblate spheroidal functions that compose adiabatic basis which depends on the radial variable as a parameter. The matrix elements of radial coupling are integrals in angular variables of the following two types: product of angular functions and the first derivative of angular functions in parameter, and product of the first derivatives of angular functions in parameter, respectively. The program calculates also the angular part of the dipole transition matrix elements (in the length form) expressed as integrals in angular variables involving product of a dipole operator and angular functions. Moreover, the program calculates asymptotic regular and irregular matrix solutions of the coupled adiabatic radial equations at the end of interval in radial variable needed for solving a multi-channel scattering problem by the generalized R-matrix method. Potential curves and radial matrix elements computed by the POTHMF program can be used for solving the bound state and multi-channel scattering problems. As a test desk, the program is applied to the calculation of the energy values, a short-range reaction matrix and corresponding wave functions with the help of the KANTBP program. Benchmark calculations for the known photoionization cross-sections are presented. Program summaryProgram title:POTHMF Catalogue identifier:AEAA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAA_v1_0.html Program obtainable from:CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.:8123 No. of bytes in distributed program, including test data

  15. Thermodynamics from concepts to applications

    CERN Document Server

    Shavit, Arthur

    2008-01-01

    The book presents a logical methodology for solving problems in the context of conservation laws and property tables or equations. The authors elucidate the terms around which thermodynamics has historically developed, such as work, heat, temperature, energy, and entropy. Using a pedagogical approach that builds from basic principles to laws and eventually corollaries of the laws, the text enables students to think in clear and correct thermodynamic terms as well as solve real engineering problems.

  16. Thermodynamics of Asymptotically Conical Geometries.

    Science.gov (United States)

    Cvetič, Mirjam; Gibbons, Gary W; Saleem, Zain H

    2015-06-12

    We study the thermodynamical properties of a class of asymptotically conical geometries known as "subtracted geometries." We derive the mass and angular momentum from the regulated Komar integral and the Hawking-Horowitz prescription and show that they are equivalent. By deriving the asymptotic charges, we show that the Smarr formula and the first law of thermodynamics hold. We also propose an analog of Christodulou-Ruffini inequality. The analysis can be generalized to other asymptotically conical geometries.

  17. Thermodynamics of nonsingular bouncing universes

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Pedro C. [Universidade Federal do Rio Grande do Norte, Escola de Ciencias e Tecnologia, Natal, Rio Grande do Norte (Brazil); Pavon, Diego [Universidad Autonoma de Barcelona, Departamento de Fisica, Bellaterra, Barcelona (Spain)

    2016-01-15

    Homogeneous and isotropic, nonsingular, bouncing world models are designed to evade the initial singularity at the beginning of the cosmic expansion. Here, we study the thermodynamics of the subset of these models governed by general relativity. Considering the entropy of matter and radiation and considering the entropy of the apparent horizon to be proportional to its area, we argue that these models do not respect the generalized second law of thermodynamics, also away from the bounce. (orig.)

  18. Generalization of Gibbs Entropy and Thermodynamic Relation

    OpenAIRE

    Park, Jun Chul

    2010-01-01

    In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.

  19. MSE-THERMO: Integrated computer system for application of chemical thermodynamics in materials science and engineering

    Energy Technology Data Exchange (ETDEWEB)

    Leitner, J.; Chuchvalec, P.; Vonka, P. [Inst. of Chemical Technology, Prague (Czech Republic)

    1995-08-01

    MSE-THERMO is an integrated computer system embodying thermochemical databases with sophisticated computational software for diverse thermodynamic calculations. It consists of a database MSE-DATA, where thermodynamic data for pure substances are stored, as well as programs for the calculation of thermodynamic functions of pure substances, changes of thermodynamic functions for chemical reactions, ternary phase diagrams in a subsolidus region, phase stability diagrams, and equilibrium composition of multicomponents and multiphases systems. Datafiles as well as computational software tools are at present intensively extended.

  20. Thermodynamic Modeling and Analysis of Human Stress Response

    Science.gov (United States)

    Boregowda, S. C.; Tiwari, S. N.

    1999-01-01

    A novel approach based on the second law of thermodynamics is developed to investigate the psychophysiology and quantify human stress level. Two types of stresses (thermal and mental) are examined. A Unified Stress Response Theory (USRT) is developed under the new proposed field of study called Engineering Psychophysiology. The USRT is used to investigate both thermal and mental stresses from a holistic (human body as a whole) and thermodynamic viewpoint. The original concepts and definitions are established as postulates which form the basis for thermodynamic approach to quantify human stress level. An Objective Thermal Stress Index (OTSI) is developed by applying the second law of thermodynamics to the human thermal system to quantify thermal stress or dis- comfort in the human body. The human thermal model based on finite element method is implemented. It is utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal stress responses under different environmental conditions. An innovative hybrid technique is developed to analyze human thermal behavior based on series of human-environment interaction simulations. Continuous monitoring of thermal stress is demonstrated with the help of OTSI. It is well established that the human thermal system obeys the second law of thermodynamics. Further, the OTSI is validated against the experimental data. Regarding mental stress, an Objective Mental Stress Index (OMSI) is developed by applying the Maxwell relations of thermodynamics to the combined thermal and cardiovascular system in the human body. The OMSI is utilized to demonstrate the technique of monitoring mental stress continuously and is validated with the help of series of experimental studies. Although the OMSI indicates the level of mental stress, it provides a strong thermodynamic and mathematical relationship between activities of thermal and cardiovascular systems of the human body.

  1. ALGEBRA: a computer program that algebraically manipulates finite element output data. [In extended FORTRAN for CDC 7600 or CYBER 76 only

    Energy Technology Data Exchange (ETDEWEB)

    Richgels, M A; Biffle, J H

    1980-09-01

    ALGEBRA is a program that allows the user to process output data from finite-element analysis codes before they are sent to plotting routines. These data take the form of variable values (stress, strain, and velocity components, etc.) on a tape that is both the output tape from the analyses code and the input tape to ALGEBRA. The ALGEBRA code evaluates functions of these data and writes the function values on an output tape that can be used as input to plotting routines. Convenient input format and error detection capabilities aid the user in providing ALGEBRA with the functions to be evaluated. 1 figure.

  2. Thermodynamics of firms' growth

    Science.gov (United States)

    Zambrano, Eduardo; Hernando, Alberto; Hernando, Ricardo; Plastino, Angelo

    2015-01-01

    The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1 155 142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing ‘free’ creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828

  3. Thermodynamic data for biomass conversion and waste incineration

    Energy Technology Data Exchange (ETDEWEB)

    Domalski, E.S.; Jobe, T.L. Jr; Milne, T.A.

    1986-09-01

    The general purpose of this collection of thermodynamic data of selected materials is to make property information available to the engineering community on chemical mixtures, polymers, composite materials, solid wastes, biomass, and materials not easily identifiable by a single stoichiometric formula. More than 700 materials have been compiled covering properties such as specific heat, gross heat of combustion, heat of fusion, heat of vaporization, and vapor pressure. The information was obtained from the master files of the NBS Chemical Thermodynamics Data Center, the annual issues of the Bulletin of Chemical Thermodynamics, intermittent examinations of the Chemical Abstracts subject indexes, individual articles by various authors, and other general reference sources. The compilation is organized into several broad categories; materials are listed alphabetically within each category. For each material, the physical state, information as to the composition or character of the material, the kind of thermodynamic property reported, the specific property values for the material, and citations to the reference list are given. In addition, appendix A gives an empirical formula that allows heats of combustion of carbonaceous materials to be predicted with surprising accuracy when the elemental composition is known. A spread sheet illustrates this predictability with examples from this report and elsewhere. Appendix B lists some reports containing heats of combustion not included in this publication. Appendix C contains symbols, units, conversion factors, and atomic weights used in evaluating and compiling the thermodynamic data.

  4. Condensation: Passenger Not Driver in Atmospheric Thermodynamics

    OpenAIRE

    Jack Denur

    2016-01-01

    The second law of thermodynamics states that processes yielding work or at least capable of yielding work are thermodynamically spontaneous, and that those costing work are thermodynamically nonspontaneous. Whether a process yields or costs heat is irrelevant. Condensation of water vapor yields work and hence is thermodynamically spontaneous only in a supersaturated atmosphere; in an unsaturated atmosphere it costs work and hence is thermodynamically nonspontaneous. Far more of Earth’s atmosp...

  5. Elements of energy conversion

    CERN Document Server

    Russell, Charles R

    2013-01-01

    Elements of Energy Conversion brings together scattered information on the subject of energy conversion and presents it in terms of the fundamental thermodynamics that apply to energy conversion by any process. Emphasis is given to the development of the theory of heat engines because these are and will remain most important power sources. Descriptive material is then presented to provide elementary information on all important energy conversion devices. The book contains 10 chapters and opens with a discussion of forms of energy, energy sources and storage, and energy conversion. This is foll

  6. Kinetic vs. Thermodynamic Control of Bacteriorhodopsin Pumping

    Science.gov (United States)

    Gunner, Marilyn

    2011-03-01

    Bacteriorhodopsin is a transmembrane proton pump that converts light energy to a transmembrane electrochemical gradient. Retinal, bound in the center of the protein, absorbs light and isomerizes from the all-trans to 13-cis configuration. A series of conformational changes and proton transfers then restores the structure to the all-trans ground state while pumping one proton from the high pH cell interior to the low pH exterior, saving energy in an electrochemical gradient. Poorly understood gating elements control key steps where incorrect proton transfer would return the protein to the ground state without pumping. The gate's barrier height determines how much the pump leaks. Analysis of high-resolution structures trapped in different intermediates has produced ideas for how bacteriorhodopsin ensures pumping. There are two contrasting strategies, one primarily thermodynamic and the other relying on kinetic control to ensure that protons are moved uphill. With thermodynamic control, residue protonation states always remain in quasi-equilibrium. Relatively slow conformational changes shift the energy landscape modifying site pKas. Residues then change ionization remaining in equilibrium in each metastable intermediate. The sequence of intermediates imparts the directionality to the transfers. Alternatively, the direction of transfer is determined by the accessibility of low energy pathways so is thus is under kinetic control. We will discuss which steps in the bacteriorhodopsin photocycle are under thermodynamic or under kinetic control. The role of three specific conformational changes (retinal isomerization, Arg82 reorientation and Glu194 and 204 separations) on the degree of proton transfer will be described. Supported by NFS MCB 1022208. Carried out with Yifan Song now at the University of Washington Department of Biochemistry.

  7. ILS Element E1 Maintenance Planning: Distribution Program and User’s Manual. Version 1.0

    Science.gov (United States)

    1991-04-01

    For a single digit , enter a blank space or zero to the left of the digit . The program accepts only actual dates. If an incorrect date is entered...Documentation for Comoleteness and Firmaness E1.2-1 What stage of develooment- are you in?: "o Concept Exploration "o Development and Validation "o Full Scale

  8. Thermodynamics of weight loss diets

    Directory of Open Access Journals (Sweden)

    Fine Eugene J

    2004-12-01

    Full Text Available Abstract Background It is commonly held that "a calorie is a calorie", i.e. that diets of equal caloric content will result in identical weight change independent of macronutrient composition, and appeal is frequently made to the laws of thermodynamics. We have previously shown that thermodynamics does not support such a view and that diets of different macronutrient content may be expected to induce different changes in body mass. Low carbohydrate diets in particular have claimed a "metabolic advantage" meaning more weight loss than in isocaloric diets of higher carbohydrate content. In this review, for pedagogic clarity, we reframe the theoretical discussion to directly link thermodynamic inefficiency to weight change. The problem in outline: Is metabolic advantage theoretically possible? If so, what biochemical mechanisms might plausibly explain it? Finally, what experimental evidence exists to determine whether it does or does not occur? Results Reduced thermodynamic efficiency will result in increased weight loss. The laws of thermodynamics are silent on the existence of variable thermodynamic efficiency in metabolic processes. Therefore such variability is permitted and can be related to differences in weight lost. The existence of variable efficiency and metabolic advantage is therefore an empiric question rather than a theoretical one, confirmed by many experimental isocaloric studies, pending a properly performed meta-analysis. Mechanisms are as yet unknown, but plausible mechanisms at the metabolic level are proposed. Conclusions Variable thermodynamic efficiency due to dietary manipulation is permitted by physical laws, is supported by much experimental data, and may be reasonably explained by plausible mechanisms.

  9. Statistical equilibrium equations for trace elements in stellar atmospheres

    OpenAIRE

    Kubat, Jiri

    2010-01-01

    The conditions of thermodynamic equilibrium, local thermodynamic equilibrium, and statistical equilibrium are discussed in detail. The equations of statistical equilibrium and the supplementary equations are shown together with the expressions for radiative and collisional rates with the emphasize on the solution for trace elements.

  10. Optimal Recycling of Steel Scrap and Alloying Elements: Input-Output based Linear Programming Method with Its Application to End-of-Life Vehicles in Japan.

    Science.gov (United States)

    Ohno, Hajime; Matsubae, Kazuyo; Nakajima, Kenichi; Kondo, Yasushi; Nakamura, Shinichiro; Fukushima, Yasuhiro; Nagasaka, Tetsuya

    2017-11-21

    Importance of end-of-life vehicles (ELVs) as an urban mine is expected to grow, as more people in developing countries are experiencing increased standards of living, while the automobiles are increasingly made using high-quality materials to meet stricter environmental and safety requirements. While most materials in ELVs, particularly steel, have been recycled at high rates, quality issues have not been adequately addressed due to the complex use of automobile materials, leading to considerable losses of valuable alloying elements. This study highlights the maximal potential of quality-oriented recycling of ELV steel, by exploring the utilization methods of scrap, sorted by parts, to produce electric-arc-furnace-based crude alloy steel with minimal losses of alloying elements. Using linear programming on the case of Japanese economy in 2005, we found that adoption of parts-based scrap sorting could result in the recovery of around 94-98% of the alloying elements occurring in parts scrap (manganese, chromium, nickel, and molybdenum), which may replace 10% of the virgin sources in electric arc furnace-based crude alloy steel production.

  11. Cantera Integration with the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS)

    Science.gov (United States)

    Lavelle, Thomas M.; Chapman, Jeffryes W.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

    2014-01-01

    NASA Glenn Research Center (GRC) has recently developed a software package for modeling generic thermodynamic systems called the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a library of building blocks that can be assembled to represent any thermodynamic system in the Simulink (The MathWorks, Inc.) environment. These elements, along with a Newton Raphson solver (also provided as part of the T-MATS package), enable users to create models of a wide variety of systems. The current version of T-MATS (v1.0.1) uses tabular data for providing information about a specific mixture of air, water (humidity), and hydrocarbon fuel in calculations of thermodynamic properties. The capabilities of T-MATS can be expanded by integrating it with the Cantera thermodynamic package. Cantera is an object-oriented analysis package that calculates thermodynamic solutions for any mixture defined by the user. Integration of Cantera with T-MATS extends the range of systems that may be modeled using the toolbox. In addition, the library of elements released with Cantera were developed using MATLAB native M-files, allowing for quicker prototyping of elements. This paper discusses how the new Cantera-based elements are created and provides examples for using T-MATS integrated with Cantera.

  12. VIBA-Lab 3.0: Computer program for simulation and semi-quantitative analysis of PIXE and RBS spectra and 2D elemental maps

    Science.gov (United States)

    Orlić, Ivica; Mekterović, Darko; Mekterović, Igor; Ivošević, Tatjana

    2015-11-01

    VIBA-Lab is a computer program originally developed by the author and co-workers at the National University of Singapore (NUS) as an interactive software package for simulation of Particle Induced X-ray Emission and Rutherford Backscattering Spectra. The original program is redeveloped to a VIBA-Lab 3.0 in which the user can perform semi-quantitative analysis by comparing simulated and measured spectra as well as simulate 2D elemental maps for a given 3D sample composition. The latest version has a new and more versatile user interface. It also has the latest data set of fundamental parameters such as Coster-Kronig transition rates, fluorescence yields, mass absorption coefficients and ionization cross sections for K and L lines in a wider energy range than the original program. Our short-term plan is to introduce routine for quantitative analysis for multiple PIXE and XRF excitations. VIBA-Lab is an excellent teaching tool for students and researchers in using PIXE and RBS techniques. At the same time the program helps when planning an experiment and when optimizing experimental parameters such as incident ions, their energy, detector specifications, filters, geometry, etc. By "running" a virtual experiment the user can test various scenarios until the optimal PIXE and BS spectra are obtained and in this way save a lot of expensive machine time.

  13. Finite-element three-dimensional ground-water (FE3DGW) flow model - formulation, program listings and users' manual

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, S.K.; Cole, C.R.; Bond, F.W.

    1979-12-01

    The Assessment of Effectiveness of Geologic Isolation Systems (AEGIS) Program is developing and applying the methodology for assessing the far-field, long-term post-closure safety of deep geologic nuclear waste repositories. AEGIS is being performed by Pacific Northwest Laboratory (PNL) under contract with the Office of Nuclear Waste Isolation (OWNI) for the Department of Energy (DOE). One task within AEGIS is the development of methodology for analysis of the consequences (water pathway) from loss of repository containment as defined by various release scenarios. Analysis of the long-term, far-field consequences of release scenarios requires the application of numerical codes which simulate the hydrologic systems, model the transport of released radionuclides through the hydrologic systems to the biosphere, and, where applicable, assess the radiological dose to humans. Hydrologic and transport models are available at several levels of complexity or sophistication. Model selection and use are determined by the quantity and quality of input data. Model development under AEGIS and related programs provides three levels of hydrologic models, two levels of transport models, and one level of dose models (with several separate models). This document consists of the description of the FE3DGW (Finite Element, Three-Dimensional Groundwater) Hydrologic model third level (high complexity) three-dimensional, finite element approach (Galerkin formulation) for saturated groundwater flow.

  14. MANTLE: A finite element program for the thermal-mechanical analysis of mantle convection. A user's manual with examples

    Science.gov (United States)

    Thompson, E.

    1979-01-01

    A finite element computer code for the analysis of mantle convection is described. The coupled equations for creeping viscous flow and heat transfer can be solved for either a transient analysis or steady-state analysis. For transient analyses, either a control volume or a control mass approach can be used. Non-Newtonian fluids with viscosities which have thermal and spacial dependencies can be easily incorporated. All material parameters may be written as function statements by the user or simply specified as constants. A wide range of boundary conditions, both for the thermal analysis and the viscous flow analysis can be specified. For steady-state analyses, elastic strain rates can be included. Although this manual was specifically written for users interested in mantle convection, the code is equally well suited for analysis in a number of other areas including metal forming, glacial flows, and creep of rock and soil.

  15. User’s Guide for the Incremental Construction, Soil-Structure Interaction Program SOILSTRUCT with Far-Field Boundary Elements

    Science.gov (United States)

    1994-03-01

    Unlimited , TIC t’%i ELECTE •m• Y2 5,1, ඦ 5" 23 116 Prepared for Headquarters, U.S. Army Corps of Engineers The contents of this report an not to be...evaluation of soil-structure interaction of earth retaining structures. The initial version of the program was developed by Profesors G. W. Clough and J

  16. Thermodynamics analysis of the rare earth metals and their alloys with indium in solid state

    Energy Technology Data Exchange (ETDEWEB)

    Vassiliev, V.P., E-mail: valeryvassiliev@yahoo.fr [Chemical Department, Lomonossov University, Moscow 119992 (Russian Federation); Benaissa, Ablazeze [Département des Matériaux, Faculté des Sciences de l’Ingénieur, Université M’hamed Bougara, Boumerdes 35000 (Algeria); Taldrik, A.F. [Institute of Superconductivity and Solid State Physics, Academician Kurchatov 1, Moscow 123098 (Russian Federation)

    2013-09-25

    Graphical abstract: Gibbs energies of formation vs. RE atomic numbers in REIn{sub 3}. Highlights: •Set of experimental values was collected for REIn{sub 3} phases. •Thermodynamic functions of formation were calculated at 298 K and 775 K. •Experimental and calculated values were compared. -- Abstract: Nonlinear correlative analyses between thermodynamic and some physico-chemical properties of rare-earth metals (RE) and their alloys with indium are performed for the isostructural phases RE and REIn{sub 3}. The thermodynamics values (Gibbs energies of formation, enthalpies of formation, and entropies of formation at 298 K and 775 K and standard entropies) of LnIn{sub 3} phases are calculated on the basis of calorimetry and potentiometry results. The proposed correlation between physico-chemical and thermodynamic properties agrees for all the isostructural phases REX (X are others elements of the periodic table). The resulting thermodynamic data are recommended for metallurgical handbook.

  17. Thermodynamic matchers for the construction of the cuckoo RNA family.

    Science.gov (United States)

    Reinkensmeier, Jan; Giegerich, Robert

    2015-01-01

    RNA family models describe classes of functionally related, non-coding RNAs based on sequence and structure conservation. The most important method for modeling RNA families is the use of covariance models, which are stochastic models that serve in the discovery of yet unknown, homologous RNAs. However, the performance of covariance models in finding remote homologs is poor for RNA families with high sequence conservation, while for families with high structure but low sequence conservation, these models are difficult to built in the first place. A complementary approach to RNA family modeling involves the use of thermodynamic matchers. Thermodynamic matchers are RNA folding programs, based on the established thermodynamic model, but tailored to a specific structural motif. As thermodynamic matchers focus on structure and folding energy, they unfold their potential in discovering homologs, when high structure conservation is paired with low sequence conservation. In contrast to covariance models, construction of thermodynamic matchers does not require an input alignment, but requires human design decisions and experimentation, and hence, model construction is more laborious. Here we report a case study on an RNA family that was constructed by means of thermodynamic matchers. It starts from a set of known but structurally different members of the same RNA family. The consensus secondary structure of this family consists of 2 to 4 adjacent hairpins. Each hairpin loop carries the same motif, CCUCCUCCC, while the stems show high variability in their nucleotide content. The present study describes (1) a novel approach for the integration of the structurally varying family into a single RNA family model by means of the thermodynamic matcher methodology, and (2) provides the results of homology searches that were conducted with this model in a wide spectrum of bacterial species.

  18. Thermodynamic Rule Determining the Biological DNA Information Capacity

    CERN Document Server

    Widom, A; Srivastava, Y N; Sivasubramanian, S; Valenzi, V I

    2012-01-01

    A rigorous thermodynamic expression is derived for the total biological information capacity per unit length of a DNA molecule. The total information includes the usual four letter coding sequence information plus that excess information coding often erroneously referred to as "junk". We conclude that the currently understood human DNA code is about a hundred megabyte program written on a molecule with about a ten gigabyte memory. By far, most of the programing code is not presently understood.

  19. Thermodynamics of quantum information scrambling.

    Science.gov (United States)

    Campisi, Michele; Goold, John

    2017-06-01

    Scrambling of quantum information can conveniently be quantified by so-called out-of-time-order correlators (OTOCs), i.e., correlators of the type 〈[W_{τ},V]^{†}[W_{τ},V]〉, whose measurements present a formidable experimental challenge. Here we report on a method for the measurement of OTOCs based on the so-called two-point measurement scheme developed in the field of nonequilibrium quantum thermodynamics. The scheme is of broader applicability than methods employed in current experiments and provides a clear-cut interpretation of quantum information scrambling in terms of nonequilibrium fluctuations of thermodynamic quantities, such as work and heat. Furthermore, we provide a numerical example on a spin chain which highlights the utility of our thermodynamic approach when understanding the differences between integrable and ergodic behaviors. We also discuss how the method can be used to extend the reach of current experiments.

  20. Nanofluidics thermodynamic and transport properties

    CERN Document Server

    Michaelides, Efstathios E (Stathis)

    2014-01-01

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

  1. Thermodynamics a complete undergraduate course

    CERN Document Server

    Steane, Andrew M

    2016-01-01

    This is an undergraduate textbook in thermodynamics—the science of heat, work, temperature, and entropy. The text presents thermodynamics in and of itself, as an elegant and powerful set of ideas and methods. These methods open the way to understanding a very wide range of phenomena in physics, chemistry, engineering, and biology. Starting out from an introduction of concepts at first year undergraduate level, the roles of temperature, internal energy, and entropy are explained via the laws of thermodynamics. The text employs a combination of examples, exercises, and careful discussion, with a view to conveying the feel of the subject as well as avoiding common misunderstandings. The Feynman–Smuluchowski ratchet, Szilard’s engine, and Maxwell’s daemon are used to elucidate entropy and the second law. Free energy and thermodynamic potentials are discussed at length, with applications to solids as well as fluids and flow processes. Thermal radiation is discussed, and the main ideas significant to global...

  2. The Thermodynamic Machinery of Life

    CERN Document Server

    Kurzynski, Michal

    2006-01-01

    Living organisms are open thermodynamic systems whose functional structure has developed and been kinetically frozen during the historical process of biological evolution. A thermodynamics of both nonequilibrium and complex systems is needed for their description. In this book, the foundations of such a thermodynamics are presented. Biological processes at the cellular level are considered as coupled chemical reactions and transport processes across internal and the cytoplasmic membrane. All these processes are catalyzed by specific enzymes hence the kinetics of enzymatic catalysis and its control are described here in detail. The coupling of several processes through a common enzyme is considered in the context of free energy or signal transduction. Special attention is paid to evidence for a rich stochastic internal dynamics of native proteins and its possible role in the control of enzyme activity and in the action of biological molecular machines.

  3. Statistical thermodynamics of clustered populations.

    Science.gov (United States)

    Matsoukas, Themis

    2014-08-01

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

  4. Thermodynamics and Human Population

    Science.gov (United States)

    Cordry, Sean M.

    2010-09-01

    This paper discusses a Fermi-problem exercise through which I take students in several of my college courses. Students work in teams, determining the average daily Caloric needs per person. Then they use insolation values to determine the size of a collection area needed to absorb the previously determined daily energy requirements. Adjustments to the size of the collection area are made based on energy absorption per biological trophic level, as well as the consideration that most diets are a mixture of plant- and animal-derived elements. Finally, using the total amount of farmland available on the planet, students calculate a maximum population value. Although the maximum population values derived herewith should not be considered authoritative, the exercise has three beneficial purposes: 1) a chance to talk about the modeling process and extrapolations, 2) an unexpected application of physics to social contexts, and 3) raising student awareness of population and energy issues.

  5. An introduction to endoreversible thermodynamics

    Directory of Open Access Journals (Sweden)

    Hoffmann, Karl Heinz

    2008-02-01

    Full Text Available Reversible thermodynamic processes are convenient abstractions of real processes, which are always irreversible. Approaching the reversible regime means to become more and more quasistatic, letting behind processes which achieve any kind of finite transformation rate for the quantities studied. On the other hand studying processes with finite transformation rates means to deal with irreversibilities and in many cases these irreversibilities must be included in a realistic description of such processes. Endoreversible thermodynamics is a non-equilibrium approach in this direction by viewing a system as a network of internally reversible (endoreversible subsystems exchanging energy in an irreversible fashion. This material provides an introduction to the subject.

  6. Irreversible Thermodynamic Bound for the Efficiency of Light-Emitting Diodes

    Science.gov (United States)

    Xue, Jin; Li, Zheng; Ram, Rajeev J.

    2017-07-01

    A thermodynamic model for light-emitting diodes (LEDs) is developed by considering energy and entropy flows in the system. Thermodynamic constraints have previously been considered separately for the reversible process of electroluminescence in LEDs and for light extraction and collimation in other optical systems. By considering both processes in the LED model, an irreversible upper bound for the conversion of electrical energy to optical energy is derived and shown to be higher than unity, but tighter and more realistic than the reversible case. We also model a LED as an endoreversible heat engine where the carrier-transport processes can be directly connected to the elements of a thermodynamic cycle.

  7. Chlorine international thermodynamic tables of the fluid state

    CERN Document Server

    Angus, S; de Reuck, K M

    1985-01-01

    Chlorine: International Thermodynamic Tables of the Fluid State-8 is a four-chapter book that covers available and estimated data on chlorine; estimation of the element's properties; the correlating equations for the element; and how the tabulated properties are calculated from chosen equation. The tables in this book give the volume, entropy, enthalpy, isobaric heat capacity, compression factor, fugacity/pressure ratio, Joule-Thomson coefficient, ratio of the heat capacities, and speed of sound as a function of pressure and temperature. Given in the tables as well are the pressure, entropy, i

  8. On thermodynamic limits of entropy densities

    NARCIS (Netherlands)

    Moriya, H; Van Enter, A

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

  9. Thermodynamics of asymptotically safe theories

    DEFF Research Database (Denmark)

    Rischke, Dirk H.; Sannino, Francesco

    2015-01-01

    We investigate the thermodynamic properties of a novel class of gauge-Yukawa theories that have recently been shown to be completely asymptotically safe, because their short-distance behaviour is determined by the presence of an interacting fixed point. Not only do all the coupling constants freeze...

  10. Thermodynamics of random number generation

    Science.gov (United States)

    Aghamohammadi, Cina; Crutchfield, James P.

    2017-06-01

    We analyze the thermodynamic costs of the three main approaches to generating random numbers via the recently introduced Information Processing Second Law. Given access to a specified source of randomness, a random number generator (RNG) produces samples from a desired target probability distribution. This differs from pseudorandom number generators (PRNGs) that use wholly deterministic algorithms and from true random number generators (TRNGs) in which the randomness source is a physical system. For each class, we analyze the thermodynamics of generators based on algorithms implemented as finite-state machines, as these allow for direct bounds on the required physical resources. This establishes bounds on heat dissipation and work consumption during the operation of three main classes of RNG algorithms—including those of von Neumann, Knuth, and Yao and Roche and Hoshi—and for PRNG methods. We introduce a general TRNG and determine its thermodynamic costs exactly for arbitrary target distributions. The results highlight the significant differences between the three main approaches to random number generation: One is work producing, one is work consuming, and the other is potentially dissipation neutral. Notably, TRNGs can both generate random numbers and convert thermal energy to stored work. These thermodynamic costs on information creation complement Landauer's limit on the irreducible costs of information destruction.

  11. Some Considerations about Thermodynamic Cycles

    Science.gov (United States)

    da Silva, M. F. Ferreira

    2012-01-01

    After completing their introductory studies on thermodynamics at the university level, typically in a second-year university course, most students show a number of misconceptions. In this work, we identify some of those erroneous ideas and try to explain their origins. We also give a suggestion to attack the problem through a systematic and…

  12. Thermodynamics on the Molality Scale

    Science.gov (United States)

    Canagaratna, Sebastian G.; Maheswaran, M.

    2013-01-01

    For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…

  13. One Antimatter— Two Possible Thermodynamics

    Directory of Open Access Journals (Sweden)

    Alexander Y. Klimenko

    2014-02-01

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

  14. Thermodynamic basis for cluster kinetics

    DEFF Research Database (Denmark)

    Hu, Lina; Bian, Xiufang; Qin, Xubo

    2006-01-01

    Due to the inaccessibility of the supercooled region of marginal metallic glasses (MMGs) within the experimental time window, we study the cluster kinetics above the liquidus temperature, Tl, to acquire information on the fragility of the MMG systems. Thermodynamic basis for the stability...

  15. THERMODYNAMICS USED IN ENVIRONMENTAL ENGINEERING

    Science.gov (United States)

    Thermodynamics is a science in which energy transformations are studied as well as their relationships to the changes in the chemical properties of a system. It is the fundamental basis of many engineering fields. The profession of environmental engineering is no exception. In pa...

  16. A Simple Statistical Thermodynamics Experiment

    Science.gov (United States)

    LoPresto, Michael C.

    2010-01-01

    Comparing the predicted and actual rolls of combinations of both two and three dice can help to introduce many of the basic concepts of statistical thermodynamics, including multiplicity, probability, microstates, and macrostates, and demonstrate that entropy is indeed a measure of randomness, that disordered states (those of higher entropy) are…

  17. Simulating Metabolism with Statistical Thermodynamics

    Science.gov (United States)

    Cannon, William R.

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed. PMID:25089525

  18. Simulating metabolism with statistical thermodynamics.

    Science.gov (United States)

    Cannon, William R

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.

  19. Theoretical substantiation of programs of targeted development of coordination abilities of pupils in lessons of physical training with elements of sports games

    Directory of Open Access Journals (Sweden)

    R.I. Boychuk

    2015-01-01

    Full Text Available Purpose : improving the process of teaching students the art of sports games on the lessons of physical education through targeted development of coordination abilities. Material : an analysis of more than 20 references. Results : The results of the theoretical analysis of the feasibility of targeted improvement of coordination abilities of students in learning motor actions. A program for the coordination of training students in physical education lessons with elements of sports games. Identified tools, methods and instructional techniques parenting coordination abilities. The most significant coordination abilities for sports games have the ability to differentiate the motion parameters, response, spatial orientation and coordination of movements. Conclusions : The targeted improvement of coordination abilities of students in physical education and sports training enhances the effectiveness of the process of learning motor actions.

  20. Concentrations of elements in fish fillets, fish muscle plugs, and crayfish from the 2007 Missouri Department of Conservation General Contaminant Monitoring Program

    Science.gov (United States)

    May, Thomas W.; Walther, Michael J.; Brumbaugh, William G.; McKee, Michael J.

    2009-01-01

    This report presents the results of a contaminant monitoring survey conducted annually by the Missouri Department of Conservation to examine the levels of selected elemental contaminants in fish fillets, fish muscle plugs, and crayfish. Fillets of channel catfish (Ictalurus punctatus), bass (Micropterus salmoides, Micropterus dolomieu, Morone chrysops), walleye (Sander vitreus), common carp (Cyprinus carpio), lake sturgeon (Acipenser fulvescens), northern hog sucker (Hypentelium nigricans), and rainbow trout (Oncorhynchus mykiss) were collected from 21 sites as part of the Department's Fish Contaminant Monitoring Program. Long-pincered crayfish (Orconectes longidigitus) were collected from one site to assess trophic transfer of metals to fish. Fish muscle plugs were collected from smallmouth bass (Micropterus dolomieu) at two different locations from one site.

  1. Concentration of elements in whole-body fish, fish fillets, fish muscle plugs, and fish eggs from the 2008 Missouri Department of Conservation General Contaminant Monitoring Program

    Science.gov (United States)

    May, Thomas W.; Walther, Michael J.; Brumbaugh, William G.; McKee, Michael J.

    2009-01-01

    This report presents the results of a contaminant monitoring survey conducted annually by the Missouri Department of Conservation to examine the levels of selected elemental contaminants in whole-body fish, fish fillets, fish muscle plugs, and fish eggs. Whole-body, fillet, or egg samples of catfish (Ictalurus punctatus, Ictalurus furcatus, Pylodictis olivaris), largemouth bass (Micropterus salmoides), walleye (Sander vitreus), crappie (Pomoxis annularis, Pomoxis nigromaculatus), shovelnose sturgeon (Scaphirhynchus platorynchus), northern hog sucker (Hypentelium nigricans), and Missouri saddled darter (Etheostoma tetrazonum) were collected from 23 sites as part of the Missouri Department of Conservation's Fish Contaminant Monitoring Program. Fish dorsal muscle plugs also were collected from walleye (Sander vitreus) at one of the sites.

  2. Chemical Thermodynamics and Information Theory with Applications

    CERN Document Server

    Graham, Daniel J

    2011-01-01

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

  3. Thermodynamics of statistical inference by cells.

    Science.gov (United States)

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

    2014-10-03

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

  4. Some Trends in Quantum Thermodynamics

    Directory of Open Access Journals (Sweden)

    Michael R. von Spakovsky

    2014-06-01

    Full Text Available Traditional answers to what the 2nd Law is are well known. Some are based on the microstate of a system wandering rapidly through all accessible phase space, while others are based on the idea of a system occupying an initial multitude of states due to the inevitable imperfections of measurements that then effectively, in a coarse grained manner, grow in time (mixing. What has emerged are two somewhat less traditional approaches from which it is said that the 2nd Law emerges, namely, that of the theory of quantum open systems and that of the theory of typicality. These are the two principal approaches, which form the basis of what today has come to be called quantum thermodynamics. However, their dynamics remains strictly linear and unitary, and, as a number of recent publications have emphasized, “testing the unitary propagation of pure states alone cannot rule out a nonlinear propagation of mixtures”. Thus, a non-traditional approach to capturing such a propagation would be one which complements the postulates of QM by the 2nd Law of thermodynamics, resulting in a possibly meaningful, nonlinear dynamics. An unorthodox approach, which does just that, is intrinsic quantum thermodynamics and its mathematical framework, steepest-entropy-ascent quantum thermodynamics. The latter has evolved into an effective tool for modeling the dynamics of reactive and non-reactive systems at atomistic scales. It is the usefulness of this framework in the context of quantum thermodynamics as well as the theory of typicality which are discussed here in some detail. A brief discussion of some other trends such as those related to work, work extraction, and fluctuation theorems is also presented.

  5. The thermodynamic cube: A mnemonic and learning device for students of classical thermodynamics

    Science.gov (United States)

    Pate, Stephen F.

    1999-12-01

    The "thermodynamic cube," a mnemonic device for learning and recalling thermodynamic relations, is introduced. The cube is an extension of the familiar "thermodynamic square" seen in many textbooks. The cube reproduces the functions of the usual thermodynamic squares and incorporates the Euler relations which are not as well known.

  6. Thermodynamic magnon recoil for domain wall motion

    NARCIS (Netherlands)

    Yan, P.; Cao, Y.; Sinova, J.

    2015-01-01

    We predict a thermodynamic magnon recoil effect for domain wall motions in the presence of temperature gradients. All current thermodynamic theories assert that a magnetic domain wall must move toward the hotter side, based on equilibrium thermodynamic arguments. Microscopic calculations, on the

  7. On thermodynamics of AdS black holes in M-theory

    Energy Technology Data Exchange (ETDEWEB)

    Belhaj, A. [Universite Sultan Moulay Slimane, Departement de Physique, LIRST, Faculte Polydisciplinaire, Beni Mellal (Morocco); Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, FSSM, Marrakesh (Morocco); Chabab, M.; Masmar, K. [Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, FSSM, Marrakesh (Morocco); El Moumni, H. [Cadi Ayyad University, High Energy Physics and Astrophysics Laboratory, FSSM, Marrakesh (Morocco); Universite Ibn Zohr, Departement de Physique, Faculte des Sciences, Agadir (Morocco); Sedra, M.B. [Universite Ibn Tofail, Departement de Physique, LASIMO, Faculte des Sciences, Kenitra (Morocco)

    2016-02-15

    Motivated by recent work on asymptotically AdS{sub 4} black holes in M-theory, we investigate the thermodynamics and thermodynamical geometry of AdS black holes from M2- and M5-branes. Concretely, we consider AdS black holes in AdS{sub p+2} x S{sup 11-p-2}, where p = 2,5 by interpreting the number of M2- (and M5-branes) as a thermodynamical variable. More precisely, we study the corresponding phase transition to examine their stabilities by calculating and discussing various thermodynamical quantities including the chemical potential. Then we compute the thermodynamical curvatures from the Quevedo metric for M2- and M5-branes geometries to reconsider the stability of such black holes. The Quevedo metric singularities recover similar stability results provided by the phase-transition program. It has been shown that similar behaviors are also present in the limit of large N. (orig.)

  8. Bioengineering Thermodynamics: An Engineering Science for Thermodynamics of Biosystems

    OpenAIRE

    Lucia, Umberto

    2015-01-01

    Cells are open complex thermodynamic systems. Energy transformations, thermo-electro-chemical processes and transports occur across the cells membranes. Different thermo-electro-biochemical behaviours occur between health and disease states. Moreover, living systems waste heat, the result of the internal irreversibility. This heat is dissipated into the environment. But, this wasted heat represent a sort of information, which outflows from the cell toward its environment, completely accessibl...

  9. Toxic Elements

    DEFF Research Database (Denmark)

    Hajeb, Parvaneh; Shakibazadeh, Shahram; Sloth, Jens Jørgen

    2016-01-01

    Food is considered the main source of toxic element (arsenic, cadmium, lead, and mercury) exposure to humans, and they can cause major public health effects. In this chapter, we discuss the most important sources for toxic element in food and the foodstuffs which are significant contributors...... to human exposure. The occurrence of each element in food classes from different regions is presented. Some of the current toxicological risk assessments on toxic elements, the human health effect of each toxic element, and their contents in the food legislations are presented. An overview of analytical...... techniques and challenges for determination of toxic elements in food is also given....

  10. Thermodynamic state ensemble models of cis-regulation.

    Science.gov (United States)

    Sherman, Marc S; Cohen, Barak A

    2012-01-01

    A major goal in computational biology is to develop models that accurately predict a gene's expression from its surrounding regulatory DNA. Here we present one class of such models, thermodynamic state ensemble models. We describe the biochemical derivation of the thermodynamic framework in simple terms, and lay out the mathematical components that comprise each model. These components include (1) the possible states of a promoter, where a state is defined as a particular arrangement of transcription factors bound to a DNA promoter, (2) the binding constants that describe the affinity of the protein-protein and protein-DNA interactions that occur in each state, and (3) whether each state is capable of transcribing. Using these components, we demonstrate how to compute a cis-regulatory function that encodes the probability of a promoter being active. Our intention is to provide enough detail so that readers with little background in thermodynamics can compose their own cis-regulatory functions. To facilitate this goal, we also describe a matrix form of the model that can be easily coded in any programming language. This formalism has great flexibility, which we show by illustrating how phenomena such as competition between transcription factors and cooperativity are readily incorporated into these models. Using this framework, we also demonstrate that Michaelis-like functions, another class of cis-regulatory models, are a subset of the thermodynamic framework with specific assumptions. By recasting Michaelis-like functions as thermodynamic functions, we emphasize the relationship between these models and delineate the specific circumstances representable by each approach. Application of thermodynamic state ensemble models is likely to be an important tool in unraveling the physical basis of combinatorial cis-regulation and in generating formalisms that accurately predict gene expression from DNA sequence.

  11. Thermodynamic state ensemble models of cis-regulation.

    Directory of Open Access Journals (Sweden)

    Marc S Sherman

    Full Text Available A major goal in computational biology is to develop models that accurately predict a gene's expression from its surrounding regulatory DNA. Here we present one class of such models, thermodynamic state ensemble models. We describe the biochemical derivation of the thermodynamic framework in simple terms, and lay out the mathematical components that comprise each model. These components include (1 the possible states of a promoter, where a state is defined as a particular arrangement of transcription factors bound to a DNA promoter, (2 the binding constants that describe the affinity of the protein-protein and protein-DNA interactions that occur in each state, and (3 whether each state is capable of transcribing. Using these components, we demonstrate how to compute a cis-regulatory function that encodes the probability of a promoter being active. Our intention is to provide enough detail so that readers with little background in thermodynamics can compose their own cis-regulatory functions. To facilitate this goal, we also describe a matrix form of the model that can be easily coded in any programming language. This formalism has great flexibility, which we show by illustrating how phenomena such as competition between transcription factors and cooperativity are readily incorporated into these models. Using this framework, we also demonstrate that Michaelis-like functions, another class of cis-regulatory models, are a subset of the thermodynamic framework with specific assumptions. By recasting Michaelis-like functions as thermodynamic functions, we emphasize the relationship between these models and delineate the specific circumstances representable by each approach. Application of thermodynamic state ensemble models is likely to be an important tool in unraveling the physical basis of combinatorial cis-regulation and in generating formalisms that accurately predict gene expression from DNA sequence.

  12. Marine sediments monitoring studies for trace elements with the application of fast temperature programs and solid sampling high resolution continuum source atomic absorption spectrometry

    Science.gov (United States)

    Orani, Anna Maria; Han, Eunmi; Mandjukov, Petko; Vassileva, Emilia

    2015-01-01

    Analytical procedure for the determination of As, Cd, Cu, Ni, Co and Cr in marine sediment samples using high-resolution continuum source graphite furnace atomic absorption spectrometry (HR CS AAS) and direct solid sample analysis has been developed. The application of fast programs in combination with direct solid sampling allows to eliminate the drying and pretreatment steps, however makes impossible the use of liquid standards for calibration. Iridium treated platforms were applied throughout the present study. Calibration technique based on the use of solid certified reference materials (marine sediments) similar to the nature of the analyzed sample and statistics of regression analysis were applied to the real sediment samples. The instrumental parameters were optimized in order to obtain reproducible and interference free analytical signals. The ISO-17025 requirements and Eurachem guidelines were followed in the validation of the proposed analytical procedure. Accordingly, blanks, selectivity, calibration, linearity, working range, trueness, repeatability reproducibility, limits of detection and quantification and expanded uncertainty (k = 2) for all investigated elements were assessed. Two different approaches for the estimation of measurement uncertainty were applied and obtained results compared. The major contributors to the combined uncertainty of the analyte mass fraction were found to be the homogeneity of the samples and the microbalance precision. The influence of sample particle sizes on the total combined uncertainty was also evaluated. Traceability to SI system of units of the obtained by the proposed analytical procedure results was demonstrated. Additionally, validation of the methodology developed was effectuated by the comparison of the obtained results with independent method e.g. ICP-MS with external calibration. The use of solid sampling HR CS AAS for the determination of trace elements in marine sediment matrix gives significant advantages

  13. Classical thermodynamics of non-electrolyte solutions

    CERN Document Server

    Van Ness, H C

    1964-01-01

    Classical Thermodynamics of Non-Electrolyte Solutions covers the historical development of classical thermodynamics that concerns the properties of vapor and liquid solutions of non-electrolytes. Classical thermodynamics is a network of equations, developed through the formal logic of mathematics from a very few fundamental postulates and leading to a great variety of useful deductions. This book is composed of seven chapters and begins with discussions on the fundamentals of thermodynamics and the thermodynamic properties of fluids. The succeeding chapter presents the equations of state for

  14. Thermodynamic constraints on fluctuation phenomena

    Science.gov (United States)

    Maroney, O. J. E.

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  15. Gravity and/is Thermodynamics

    CERN Document Server

    Padmanabhan, T

    2015-01-01

    The equations of motion describing all physical systems, except gravity, remain invariant if a constant is added to the Lagrangian. In the conventional approach, gravitational theories break this symmetry exhibited by all other physical systems. Restoring this symmetry to gravity and demanding that gravitational field equations should also remain invariant under the addition of a constant to a Lagrangian, leads to the interpretation of gravity as the thermodynamic limit of the kinetic theory of atoms of space. This approach selects, in a very natural fashion, Einstein's general relativity in $d=4$. Developing this paradigm at a deeper level, one can obtain the distribution function for the atoms of space and connect it up with the thermodynamic description of spacetime. This extension relies on a curious fact that the quantum spacetime endows each event with a finite area but zero volume. This approach allows us determine the numerical value of the cosmological constant and suggests a new perspective on cosmo...

  16. Thermodynamic Measure for Nonequilibrium Processes

    Directory of Open Access Journals (Sweden)

    Attila Grandpierre

    2007-07-01

    Full Text Available One of the most fundamental laws of Nature is formulated by the Second Law of Thermodynamics. At present, in its usual formulation the central concept is entropy characterized in terms of equilibrium state variables. We point out that because thermodynamic changes arise when systems are out of equilibrium and because entropy is not a natural state variable characterizing non-equilibrium states, a new formulation of the Second Law is required. In this paper, we introduce a new, more general, but still entropic measure that is suitable in non-equilibrium conditions as well. This new entropic measure has given a name extropy. The introduction of extropy allows us to formulate the Second Law in a more suitable and precise form, and it resolves some conceptual difficulties related to the interpretation of entropy. We point out that extropy has a fundamental significance in physics, in biology, and in our scientific worldview.

  17. Thermodynamic Model of Spatial Memory

    Science.gov (United States)

    Kaufman, Miron; Allen, P.

    1998-03-01

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

  18. Thermodynamic Calculations for Systems Biocatalysis

    DEFF Research Database (Denmark)

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

    2015-01-01

    ‘Systems Biocatalysis’ is a term describing multi-enzyme processes in vitro for the synthesis of chemical products. Unlike in-vivo systems, such an artificial metabolism can be controlled in a highly efficient way in order to achieve a sufficiently favourable conversion for a given target product...... the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... energy change, View the MathML source ΔGro′, of the overall cascade. The findings show that unfavourable reactions in the cascade can be improved by coupling to a favourable reaction giving more energetically stable products....

  19. Statistical Thermodynamics of Economic Systems

    Directory of Open Access Journals (Sweden)

    Hernando Quevedo

    2011-01-01

    Full Text Available We formulate the thermodynamics of economic systems in terms of an arbitrary probability distribution for a conserved economic quantity. As in statistical physics, thermodynamic macroeconomic variables emerge as the mean value of microeconomic variables, and their determination is reduced to the computation of the partition function, starting from an arbitrary function. Explicit hypothetical examples are given which include linear and nonlinear economic systems as well as multiplicative systems such as those dominated by a Pareto law distribution. It is shown that the macroeconomic variables can be drastically changed by choosing the microeconomic variables in an appropriate manner. We propose to use the formalism of phase transitions to study severe changes of macroeconomic variables.

  20. Statistical thermodynamics of nonequilibrium processes

    CERN Document Server

    Keizer, Joel

    1987-01-01

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

  1. Fundamentals of Nano-Thermodynamics

    OpenAIRE

    Hartmann, M.; Mahler, G.; Hess, O.

    2004-01-01

    Recent progress in the synthesis and processing of nano-structured materials and systems calls for an improved understanding of thermal properties on small length scales. In this context, the question whether thermodynamics and, in particular, the concept of temperature can apply on the nanoscale is of central interest. Here we consider a quantum system consisting of a regular chain of elementary subsystems with nearest neighbour interactions and assume that the total system is in a canonical...

  2. Thermodynamics of freezing and melting

    OpenAIRE

    Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas; Schrøder, Thomas; Dyre, Jeppe C.

    2016-01-01

    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature?pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variatio...

  3. Thermodynamic properties of sea air

    Directory of Open Access Journals (Sweden)

    R. Feistel

    2010-02-01

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

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

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

  4. Chiral thermodynamics of nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Fiorilla, Salvatore

    2012-10-23

    The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.

  5. Thermodynamic aspects of therapeutic hypothermia.

    Science.gov (United States)

    Vanlandingham, Sean C; Kurz, Michael C; Wang, Henry E

    2015-01-01

    Therapeutic hypothermia (TH) is an important treatment for post-cardiac arrest syndrome. Despite its widespread practice, only limited data describe the thermodynamic aspects of heat transfer during TH. This paper reviews the principles of human body heat balance and provides a conceptual model for characterizing heat exchange during TH. The model may provide a framework for computer simulation for improving training in or clinical methods of TH. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  6. The Thermodynamics of Exercise Science

    OpenAIRE

    Simeoni, R. J.

    2014-01-01

    This article describes the “human body engine” via a thermodynamics-based model that considers the work associated with gas pressure, volume and temperature changes for the glucose-based equation of respiration. The efficacy of the model is supported by prior studies that: accurately predict the slow component of oxygen uptake kinetics; quantitatively explain observed race splitting strategies within endurance events; and accurately predict maximum velocities in endurance swimming. These pr...

  7. Thermodynamic functions of arsenic selenides

    Science.gov (United States)

    Babanly, D. M.; Velieva, G. M.; Imamaliyeva, S. Z.; Babanly, M. B.

    2017-07-01

    The solid-phase equilibria and thermodynamic properties of an As-Se system are studied using the electromotive force (EMF). The existence of compounds As2Se3, AsSe, and As4Se3 in a system with near constant composition is confirmed. The relative partial molar functions, standard Gibbs free energies, enthalpies of formation, and standard entropies of As in the alloys are calculated using EMF measurements.

  8. Hadron melting and QCD thermodynamics

    OpenAIRE

    Jakovac, A.

    2013-01-01

    We study in this paper mechanisms of hadron melting based on the spectral representation of hadronic quantum channels, and examine the hadron width dependence of the pressure. The findings are applied to a statistical hadron model of QCD thermodynamics, where hadron masses are distributed by the Hagedorn model and a uniform mechanism for producing hadron widths is assumed. According to this model the hadron - quark gluon plasma transition occurs at $T\\approx 200$-250 MeV, the numerically obse...

  9. Thermodynamical journey in plant biology

    Directory of Open Access Journals (Sweden)

    Adelin eBarbacci

    2015-06-01

    Full Text Available Nonequilibrium irreversible thermodynamics constitute a meaningful point of view suitable to explore life with a rich paradigm. This analytical framework can be used to span the gap from molecular processes to plant function and shows great promise to create a holistic description of life. Since living organisms dissipate energy, exchange entropy and matter with their environment, they can be assimilated to dissipative structures. This concept inherited from nonequilibrium thermodynamics has four properties which defines a scale independent framework suitable to provide a simpler and more comprehensive view of the highly complex plant biology. According to this approach, a biological process is modeled as an avalanche of dissipative structures. Each dissipative structure, corresponds to an unitary biological process, which is initiated by the amplification of a fluctuation. Evolution of the process leads to the breakage of the system symmetry and to the export of entropy. Exporting entropy to the surrounding environment corresponds to collecting information about it. Biological actors which break the symmetry of the system and which store information are by consequence, key actors on which experiments and data analysis focus most. This paper aims at illustrating properties of dissipative structure through familiar examples and thus initiating the dialogue between nonequilibrium thermodynamics and plant biology.

  10. Predicting RNA pseudoknot folding thermodynamics

    Science.gov (United States)

    Cao, Song; Chen, Shi-Jie

    2006-01-01

    Based on the experimentally determined atomic coordinates for RNA helices and the self-avoiding walks of the P (phosphate) and C4 (carbon) atoms in the diamond lattice for the polynucleotide loop conformations, we derive a set of conformational entropy parameters for RNA pseudoknots. Based on the entropy parameters, we develop a folding thermodynamics model that enables us to compute the sequence-specific RNA pseudoknot folding free energy landscape and thermodynamics. The model is validated through extensive experimental tests both for the native structures and for the folding thermodynamics. The model predicts strong sequence-dependent helix-loop competitions in the pseudoknot stability and the resultant conformational switches between different hairpin and pseudoknot structures. For instance, for the pseudoknot domain of human telomerase RNA, a native-like and a misfolded hairpin intermediates are found to coexist on the (equilibrium) folding pathways, and the interplay between the stabilities of these intermediates causes the conformational switch that may underlie a human telomerase disease. PMID:16709732

  11. Using Aspen plus in thermodynamics instruction a step-by-step guide

    CERN Document Server

    Sandler, Stanley I

    2015-01-01

    A step-by-step guide for students (and faculty) on the use of Aspen in teaching thermodynamics Used for a wide variety of important engineering tasks, Aspen Plus software is a modeling tool used for conceptual design, optimization, and performance monitoring of chemical processes. After more than twenty years, it remains one of the most popular and powerful chemical engineering simulation programs used both industrially and academically. Using Aspen Plus in Thermodynamics Instruction: A Step by Step Guide introduces the reader to the use of Aspen Plus in courses in thermodynamics. It prov

  12. Equilibrium p-T phase diagram of boron: experimental study and thermodynamic analysis.

    Science.gov (United States)

    Solozhenko, Vladimir L; Kurakevych, Oleksandr O

    2013-01-01

    Solid-state phase transformations and melting of high-purity crystalline boron have been in situ and ex situ studied at pressures to 20 GPa in the 1500-2500 K temperature range where diffusion processes become fast and lead to formation of thermodynamically stable phases. The equilibrium phase diagram of boron has been constructed based on thermodynamic analysis of experimental and literature data. The high-temperature part of the diagram contains p-T domains of thermodynamic stability of rhombohedral β-B106, orthorhombic γ-B28, pseudo-cubic (tetragonal) t'-B52, and liquid boron (L). The positions of two triple points have been experimentally estimated, i.e. β-t'-L at ~ 8.0 GPa and ~ 2490 K; and β-γ-t' at ~ 9.6 GPa and ~ 2230 K. Finally, the proposed phase diagram explains all thermodynamic aspects of boron allotropy and significantly improves our understanding of the fifth element.

  13. Thermodynamic studies for drug design and screening.

    Science.gov (United States)

    Garbett, Nichola C; Chaires, Jonathan B

    2012-04-01

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

  14. Thermodynamic Studies for Drug Design and Screening

    Science.gov (United States)

    Garbett, Nichola C.; Chaires, Jonathan B.

    2012-01-01

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

  15. Waste Isolation Safety Assessment Program. A brief description of the three-dimensional finite element ground-water flow model adapted for waste isolation safety assessments

    Energy Technology Data Exchange (ETDEWEB)

    Cole, C.R.; Gupta, S.K.

    1979-08-01

    Four levels of hydrologic models have been categorized to handle varying complexities and degrees of available input parameters. The first level is for the simplest one-dimensional models having analytical solutions; the second level includes idealized analytic or hybrid analytic models for single aquifer systems with scanty input data; the third level deals with more complex single or quasi-multilayered systems; and the fourth level is for complex multilayered systems. The three-dimensional finite element ground-water model described in this report falls under the fourth level of hydrologic models. This model is capable of simulating single-layered systems having variable thickness or multilayered systems where not only thickness can be varied, but the number of layers can be changed to agree with the vertical geologic section. Supporting programs have been developed to plot grid values, contour maps and three-dimensional graphics of the input data used in simulation as well as the results obtained. At present, the model considers only confined aquifers. The capabilities of the model were demonstrated by using a test case consisting of the multilayered ground-water system beneath Long Island, New York.

  16. Concentrations of elements in fish fillets, fish muscle plugs, and crayfish from the 2011 Missouri Department of Conservation general contaminant monitoring program

    Science.gov (United States)

    May, Thomas W.; Walther, Michael J.; Brumbaugh, William G.; McKee, Michael J.

    2013-01-01

    This report presents the results of a contaminant monitoring survey conducted annually by the Missouri Department of Conservation to examine the levels of selected elemental contaminants in fish fillets, fish muscle plugs, and crayfish. Fillet samples of yellow bullhead (Ameiurus natalis), golden redhorse (Moxostoma erythrurum), longear sunfish (Lepomis megalotis), and channel catfish (Ictalurus punctatus) were collected from six sites as part of the Missouri Department of Conservation’s Fish Contaminant Monitoring Program. Fish dorsal muscle plugs were collected from largemouth bass (Micropterus salmoides) at eight of the sites, and crayfish from two sites. Following preparation and analysis of the samples, highlights of the data were as follows: cadmium and lead residues were most elevated in crayfish tissue samples from the Big River at Cherokee Landing, with 1 to 8 micrograms per gram dry weight and 22 to 45 micrograms per gram dry weight, respectively. Some dorsal muscle plugs from largemouth bass collected from Clearwater Lake, Lake St. Louis, Noblett Lake, Hazel Creek Lake, and Harrison County Lake contained mercury residues (1.7 to 4.7 micrograms per gram dry weight) that exceeded the U.S. Environmental Protection Agency Water Quality Criterion of 1.5 micrograms per gram dry weight of fish tissue (equivalent to 0.30 micrograms per gram wet weight).

  17. Thermodynamics for Chemists, Physicists and Engineers

    CERN Document Server

    Hołyst, Robert

    2012-01-01

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

  18. Thermodynamics of random reaction networks.

    Directory of Open Access Journals (Sweden)

    Jakob Fischer

    Full Text Available Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  19. Thermodynamics of Random Reaction Networks

    Science.gov (United States)

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa −1.5 for linear and −1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks. PMID:25723751

  20. Thermodynamics of freezing and melting

    DEFF Research Database (Denmark)

    Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas

    2016-01-01

    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature–pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid...... phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio...

  1. Thermodynamics of the hot BIon

    DEFF Research Database (Denmark)

    Grignani, Gianluca; Harmark, Troels; Marini, Andrea

    2011-01-01

    We investigate the thermodynamics of the recently obtained nite temperature BIon solution of arXiv:1012.1494, focusing on two aspects. The first concerns comparison of the free energy of the three available phases for the finite temperature brane-antibrane wormhole configuration. Based on this we...... propose a heuristic picture for the dynamics of the phases that involves a critical temperature below which a stable phase exists. This stable phase is the finite temperature analogue of the thin throat branch of the extremal brane anti-brane wormhole configuration. The second aspect that we consider...

  2. An introduction to statistical thermodynamics

    CERN Document Server

    Hill, Terrell L

    1987-01-01

    ""A large number of exercises of a broad range of difficulty make this book even more useful…a good addition to the literature on thermodynamics at the undergraduate level."" - Philosophical MagazineAlthough written on an introductory level, this wide-ranging text provides extensive coverage of topics of current interest in equilibrium statistical mechanics. Indeed, certain traditional topics are given somewhat condensed treatment to allow room for a survey of more recent advances.The book is divided into four major sections. Part I deals with the principles of quantum statistical mechanics a

  3. Thermal physics kinetic theory and thermodynamics

    CERN Document Server

    Singh, Devraj; Yadav, Raja Ram

    2016-01-01

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

  4. Quantum Thermodynamics with Degenerate Eigenstate Coherences

    Directory of Open Access Journals (Sweden)

    Gregory Bulnes Cuetara

    2016-12-01

    Full Text Available We establish quantum thermodynamics for open quantum systems weakly coupled to their reservoirs when the system exhibits degeneracies. The first and second law of thermodynamics are derived, as well as a finite-time fluctuation theorem for mechanical work and energy and matter currents. Using a double quantum dot junction model, local eigenbasis coherences are shown to play a crucial role on thermodynamics and on the electron counting statistics.

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

    Science.gov (United States)

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

    2015-02-27

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

  6. Thermodynamically consistent model calibration in chemical kinetics

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2011-05-01

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

  7. Thermodynamics of Enzyme-Catalyzed Reactions Database

    Science.gov (United States)

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

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

    CERN Document Server

    Yourgrau, Wolfgang; Raw, Gough

    2002-01-01

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

  9. Black hole thermodynamics with conical defects

    Science.gov (United States)

    Appels, Michael; Gregory, Ruth; Kubizňák, David

    2017-05-01

    Recently we have shown [1] how to formulate a thermodynamic first law for a single (charged) accelerated black hole in AdS space by fixing the conical deficit angles present in the spacetime. Here we show how to generalise this result, formulating thermodynamics for black holes with varying conical deficits. We derive a new potential for the varying tension defects: the thermodynamic length, both for accelerating and static black holes. We discuss possible physical processes in which the tension of a string ending on a black hole might vary, and also map out the thermodynamic phase space of accelerating black holes and explore their critical phenomena.

  10. Coherence and measurement in quantum thermodynamics

    Science.gov (United States)

    Kammerlander, P.; Anders, J.

    2016-01-01

    Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed. PMID:26916503

  11. Program VODAM for treatment of mineral physico-chemical data, with a special application to the uranium case; Programa VODAM para tratamiento de datos de fisico-quimica mineral. Ejemplo de aplicacion al caso del uranio

    Energy Technology Data Exchange (ETDEWEB)

    Santoma Juncadella, L.

    1972-07-01

    The VODAM program is written in FORTRAN IV language and makes a physico-chemical analysis of waters, for an element or a number of them, under investigation. A thermodynamical data files is incorporated, and is useful for a low temperature range. It is the basic nucleus for a series of programs of physico-chemical interpretation of hydrogeochemical data and automatic construction of equilibrium diagrams. (Author) 13 refs.

  12. Thermodynamic stability of radioactivity standard solutions

    Energy Technology Data Exchange (ETDEWEB)

    Iroulard, M.G

    2007-04-15

    The basic requirement when preparing radioactivity standard solutions is to guarantee the concentration of a radionuclide or a radioelement, expressed in the form of activity concentration (Ac = A/m (Bq/g), with A: activity and m: mass of solution). Knowledge of the law of radioactive decay and the half-life of a radionuclide or radioelement makes it possible to determine the activity concentration at any time, and this must be confirmed subsequently by measurement. Furthermore, when radioactivity standard solutions are prepared, it is necessary to establish optimal conditions of thermodynamic stability of the standard solutions. Radioactivity standard solutions are prepared by metrology laboratories from original solutions obtained from a range of suppliers. These radioactivity standard solutions must enable preparation of liquid and/or solid radioactivity standard sources of which measurement by different methods can determine, at a given instant, the activity concentration of the radionuclide or radioelement present in the solution. There are a number of constraints associated with the preparation of such sources. Here only those that relate to the physical and chemical properties of the standard solution are considered, and therefore need to be taken into account when preparing a radioactivity standard solution. These issues are considered in this document in accordance with the following plan: - A first part devoted to the chemical properties of the solutions: - the solubilization media: ultra-pure water and acid media, - the carriers: concentration, oxidation state of the radioactive element and the carrier element. - A second part describing the methodology of the preparation, packaging and storage of standard solutions: - glass ampoules: the structure of glasses, the mechanisms of their dissolution, the sorption phenomenon at the solid-solution interface, - quartz ampoules, - cleaning and packaging: cleaning solutions, internal surface coatings and

  13. Thermodynamic optimization of a Penrose process: an engineers' approach to black hole thermodynamics

    OpenAIRE

    Bravetti, Alessandro; Gruber, Christine; Lopez-Monsalvo, Cesar S.

    2015-01-01

    In this work we present a new view on the thermodynamics of black holes introducing effects of irreversibility by employing thermodynamic optimization and finite-time thermodynamics. These questions are of importance both in physics and in engineering, combining standard thermodynamics with optimal control theory in order to find optimal protocols and bounds for realistic processes without assuming anything about the microphysics involved. We find general bounds on the maximum work and the ef...

  14. Thermodynamic features of dioxins’ adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Prisciandaro, Marina [Department of Industrial and Information Engineering and of Economics, University of L’Aquila, Viale Giovanni Gronchi 18, L’Aquila 67100 (Italy); Piemonte, Vincenzo, E-mail: v.piemonte@unicampus.it [Faculty of Engineering, University Campus Biomedico of Rome, Via Alvaro del Portillo 21, Rome 00128 (Italy); Mazziotti di Celso, Giuseppe [Faculty of Bioscience, University of Teramo, Via R. Balzarini, 1, 64100 Teramo (Italy); Ronconi, Silvia [Arta Abruzzo, Department of L’Aquila, Bazzano (AQ), 67100 L’Aquila (Italy); Capocelli, Mauro [Faculty of Engineering, University Campus Biomedico of Rome, Via Alvaro del Portillo 21, Rome 00128 (Italy)

    2017-02-15

    Highlights: • We develop the P-T diagram for six PCDD. • We derive theoretical adsorption isotherms according to the Langmuir’s model. • We calculate K and w{sub max} values for several temperatures. • We estimate the adsorption heat with a good agreement with literature data. - Abstract: In this paper, the six more poisonous species among all congeners of dioxin group are taken into account, and the P-T diagram for each of them is developed. Starting from the knowledge of vapour tensions and thermodynamic parameters, the theoretical adsorption isotherms are calculated according to the Langmuir’s model. In particular, the Langmuir isotherm parameters (K and w{sub max}) have been validated through the estimation of the adsorption heat (ΔH{sub ads}), which varies in the range 20–24 kJ/mol, in agreement with literature values. This result will allow to put the thermodynamical basis for a rational design of different process units devoted to dioxins removal.

  15. Bioengineering thermodynamics of biological cells.

    Science.gov (United States)

    Lucia, Umberto

    2015-12-01

    Cells are open complex thermodynamic systems. They can be also regarded as complex engines that execute a series of chemical reactions. Energy transformations, thermo-electro-chemical processes and transports phenomena can occur across the cells membranes. Moreover, cells can also actively modify their behaviours in relation to changes in their environment. Different thermo-electro-biochemical behaviours occur between health and disease states. But, all the living systems waste heat, which is no more than the result of their internal irreversibility. This heat is dissipated into the environment. But, this wasted heat represent also a sort of information, which outflows from the cell toward its environment, completely accessible to any observer. The analysis of irreversibility related to this wasted heat can represent a new approach to study the behaviour of the cells themselves and to control their behaviours. So, this approach allows us to consider the living systems as black boxes and analyze only the inflows and outflows and their changes in relation to the modification of the environment. Therefore, information on the systems can be obtained by analyzing the changes in the cell heat wasted in relation to external perturbations. The bioengineering thermodynamics bases are summarized and used to analyse possible controls of the calls behaviours based on the control of the ions fluxes across the cells membranes.

  16. Coherent application of a contact structure to formulate Classical Non-Equilibrium Thermodynamics

    NARCIS (Netherlands)

    Knobbe, E; Roekaerts, D.J.E.M.

    2017-01-01

    This contribution presents an outline of a new mathematical formulation for
    Classical Non-Equilibrium Thermodynamics (CNET) based on a contact
    structure in differential geometry. First a non-equilibrium state space is introduced as the third key element besides the first and second law of

  17. Balanced biochemical reactions: a new approach to unify chemical and biochemical thermodynamics

    National Research Council Canada - National Science Library

    Sabatini, Antonio; Vacca, Alberto; Iotti, Stefano

    2012-01-01

    A novel procedure is presented which, by balancing elements and electric charge of biochemical reactions which occur at constant pH and pMg, allows assessing the thermodynamics properties of reaction Δ(r)G'⁰, Δ(r)H'⁰, Δ(r)S'⁰...

  18. Some Thermodynamics Aspects Regarding the Heating-Cooling Cycle of a SMA–Based Actuator

    Directory of Open Access Journals (Sweden)

    Alexandru Borza

    2015-12-01

    Full Text Available The goal of the paper is to prevue the conditions necessary for cooling down (from 90-95 0C to 40-45 0 C in short time the Shape Memory Alloy (SMA actuator element used in a harmonic drive. The paper analyzes the thermodynamics aspects of the heating-cooling cycle of the actuator.

  19. Universal thermodynamics in different gravity theories: Conditions for generalized second law of thermodynamics and thermodynamical equilibrium on the horizons

    CERN Document Server

    Mitra, Saugata; Chakraborty, Subenoy

    2016-01-01

    The present work deals with a detailed study of universal thermodynamics in different modified gravity theories. The validity of the generalized second law of thermodynamics (GSLT) and thermodynamical equilibrium (TE) of the Universe bounded by a horizon (apparent/event) in f(R)-gravity, Einstein-Gauss-Bonnet gravity, RS-II brane scenario and DGP brane model has been investigated. In the perspective of recent observational evidences, the matter in the Universe is chosen as interacting holographic dark energy model. The entropy on the horizons are evaluated from the validity of the unified first law and as a result there is a correction (in integral form) to the usual Bekenstein entropy. The other thermodynamical parameter namely temperature on the horizon is chosen as the recently introduced corrected Hawking temperature. The above thermodynamical analysis is done for homogeneous and isotropic flat FLRW model of the Universe. The restrictions for the validity of GSLT and the TE are presented in tabular form f...

  20. SteamTablesGrid: An ActiveX control for thermodynamic properties of pure water

    Science.gov (United States)

    Verma, Mahendra P.

    2011-04-01

    An ActiveX control, steam tables grid ( StmTblGrd) to speed up the calculation of the thermodynamic properties of pure water is developed. First, it creates a grid (matrix) for a specified range of temperature (e.g. 400-600 K with 40 segments) and pressure (e.g. 100,000-20,000,000 Pa with 40 segments). Using the ActiveX component SteamTables, the values of selected properties of water for each element (nodal point) of the 41×41 matrix are calculated. The created grid can be saved in a file for its reuse. A linear interpolation within an individual phase, vapor or liquid is implemented to calculate the properties at a given value of temperature and pressure. A demonstration program to illustrate the functionality of StmTblGrd is written in Visual Basic 6.0. Similarly, a methodology is presented to explain the use of StmTblGrd in MS-Excel 2007. In an Excel worksheet, the enthalpy of 1000 random datasets for temperature and pressure is calculated using StmTblGrd and SteamTables. The uncertainty in the enthalpy calculated with StmTblGrd is within ±0.03%. The calculations were performed on a personal computer that has a "Pentium(R) 4 CPU 3.2 GHz, RAM 1.0 GB" processor and Windows XP. The total execution time for the calculation with StmTblGrd was 0.3 s, while it was 60.0 s for SteamTables. Thus, the ActiveX control approach is reliable, accurate and efficient for the numerical simulation of complex systems that demand the thermodynamic properties of water at several values of temperature and pressure like steam flow in a geothermal pipeline network.

  1. A Nonlocal Finite Element Approach to Nanobeams

    Directory of Open Access Journals (Sweden)

    Francesco Marotti de Sciarra

    2013-01-01

    Full Text Available This paper presents a consistent derivation of a new nonlocal finite element procedure in the framework of continuum mechanics and nonlocal thermodynamics for the analysis of bending of nanobeams under transverse loads. This approach is able to provide the overall performance and the influence of specific parameters in the behavior of nanobeams and it is also able to deal with nanomechanical systems by solving a reduced number of algebraic equations. An example shows that the proposed nonlocal finite element procedure, using a mesh composed by only four elements of equal size, provides the exact values in terms of transversal displacement and bending of the nanobeam.

  2. Quantum quenches in the thermodynamic limit.

    Science.gov (United States)

    Rigol, M

    2014-05-02

    We introduce a linked-cluster based computational approach that allows one to study quantum quenches in lattice systems in the thermodynamic limit. This approach is used to study quenches in one-dimensional lattices. We provide evidence that, in the thermodynamic limit, thermalization occurs in the nonintegrable regime but fails at integrability. A phase transitionlike behavior separates the two regimes.

  3. Impact of Thermodynamic Principles in Systems Biology

    NARCIS (Netherlands)

    Heijnen, J.J.

    2010-01-01

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

  4. Simple, Chemoselective Hydrogenation with Thermodynamic Stereocontrol

    OpenAIRE

    Iwasaki, Kotaro; Wan, Kanny K.; Oppedisano, Alberto; Crossley, Steven W. M.; Shenvi, Ryan A.

    2014-01-01

    Few methods permit the hydrogenation of alkenes to a thermodynamically favored configuration when steric effects dictate the alternative trajectory of hydrogen delivery. Dissolving metal reduction achieves this control, but with extremely low functional group tolerance. Here we demonstrate a catalytic hydrogenation of alkenes that affords the thermodynamic alkane products with remarkably broad functional group compatibility and rapid reaction rates at standard temperature and pressure.

  5. Simple, chemoselective hydrogenation with thermodynamic stereocontrol.

    Science.gov (United States)

    Iwasaki, Kotaro; Wan, Kanny K; Oppedisano, Alberto; Crossley, Steven W M; Shenvi, Ryan A

    2014-01-29

    Few methods permit the hydrogenation of alkenes to a thermodynamically favored configuration when steric effects dictate the alternative trajectory of hydrogen delivery. Dissolving metal reduction achieves this control, but with extremely low functional group tolerance. Here we demonstrate a catalytic hydrogenation of alkenes that affords the thermodynamic alkane products with remarkably broad functional group compatibility and rapid reaction rates at standard temperature and pressure.

  6. Warming to ecocide a thermodynamic diagnosis

    CERN Document Server

    Sangster, Alan J

    2011-01-01

    Suggests a route to avoiding runaway climate change by reinstating the greenhouse thermostat to its full operational capacity Addresses mankind's contribution to climate change from a thermodynamic perspective Describes and illustrates the power of thermodynamics to furnish insights into the thermal behaviour of complex physical systems

  7. Thermodynamic Ground States of Complex Oxide Heterointerfaces

    DEFF Research Database (Denmark)

    Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.

    2017-01-01

    The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...

  8. An Experimental Determination of Thermodynamic Values

    Science.gov (United States)

    Antony, Erling; Muccianti, Christine; Vogel, Tracy

    2012-01-01

    Measurements have been added to an old demonstration of chemical equilibria allowing the determination of thermodynamic constants. The experiment allows the students an opportunity to merge qualitative observations associated with Le Chatelier's principle and thermodynamic calculations using graphical techniques. (Contains 4 figures.)

  9. Detonation Jet Engine. Part 1--Thermodynamic Cycle

    Science.gov (United States)

    Bulat, Pavel V.; Volkov, Konstantin N.

    2016-01-01

    We present the most relevant works on jet engine design that utilize thermodynamic cycle of detonative combustion. The efficiency advantages of thermodynamic detonative combustion cycle over Humphrey combustion cycle at constant volume and Brayton combustion cycle at constant pressure were demonstrated. An ideal Ficket-Jacobs detonation cycle, and…

  10. Thermodynamic Property Needs for the Oleochemical Industry

    DEFF Research Database (Denmark)

    Ana Perederic, Olivia; Kalakul, Sawitree; Sarup, Bent

    and/or reliable thermodynamic models for the chemicals involved. Limited availability ofconsistent physical and thermodynamic properties of lipids compounds and their mixtures lead to difficulties with the use of process simulators for process synthesis and design, since all themodels to be used...

  11. Thermodynamics of charged and rotating black strings

    Science.gov (United States)

    Fatima, Aeeman; Saifullah, K.

    2012-10-01

    We study thermodynamics of cylindrically symmetric black holes. Uncharged as well as charged and rotating objects have been discussed. We derive surface gravity and hence the Hawking temperature and entropy for all these cases. We correct some results in the literature and present new ones. It is seen that thermodynamically these black configurations behave differently from spherically symmetric objects.

  12. Thermodynamics and heat transfer in fire fighting

    Science.gov (United States)

    Romanenko, P. N.; Koshmarov, Y. A.; Bashkirtsev, M. P.

    1985-05-01

    The book presents the fundamental principles of thermodynamics and heat transfer with particular reference to their application in problems related to fire prevention. Special attention is given to the study of unsteady heat transfer, radiant heat transfer (including radiation from flames to the surrounding), thermodynamic analysis of the growth of fires and theoretical modeling of fires in building.

  13. Understanding the Thermodynamics of Biological Order

    Science.gov (United States)

    Peterson, Jacob

    2012-01-01

    By growth in size and complexity (i.e., changing from more probable to less probable states), plants and animals appear to defy the second law of thermodynamics. The usual explanation describes the input of nutrient and sunlight energy into open thermodynamic systems. However, energy input alone does not address the ability to organize and create…

  14. Friction Force: From Mechanics to Thermodynamics

    Science.gov (United States)

    Ferrari, Christian; Gruber, Christian

    2010-01-01

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

  15. Teaching Differentials in Thermodynamics Using Spatial Visualization

    Science.gov (United States)

    Wang, Chih-Yueh; Hou, Ching-Han

    2012-01-01

    The greatest difficulty that is encountered by students in thermodynamics classes is to find relationships between variables and to solve a total differential equation that relates one thermodynamic state variable to two mutually independent state variables. Rules of differentiation, including the total differential and the cyclic rule, are…

  16. Balanced Biochemical Reactions: A New Approach to Unify Chemical and Biochemical Thermodynamics

    Science.gov (United States)

    Sabatini, Antonio; Vacca, Alberto; Iotti, Stefano

    2012-01-01

    A novel procedure is presented which, by balancing elements and electric charge of biochemical reactions which occur at constant pH and pMg, allows assessing the thermodynamics properties of reaction ΔrG′0, ΔrH′0, ΔrS′0 and the change in binding of hydrogen and magnesium ions of these reactions. This procedure of general applicability avoids the complex calculations required by the use of the Legendre transformed thermodynamic properties of formation ΔfG′0, ΔfH′0 and ΔfS′0 hitherto considered an obligatory prerequisite to deal with the thermodynamics of biochemical reactions. As a consequence, the term “conditional” is proposed in substitution of “Legendre transformed” to indicate these thermodynamics properties. It is also shown that the thermodynamic potential G is fully adequate to give a criterion of spontaneous chemical change for all biochemical reactions and then that the use of the Legendre transformed G′ is unnecessary. The procedure proposed can be applied to any biochemical reaction, making possible to re-unify the two worlds of chemical and biochemical thermodynamics, which so far have been treated separately. PMID:22247780

  17. High-temperature experimental and thermodynamic modelling research on the pyrometallurgical processing of copper

    Science.gov (United States)

    Hidayat, Taufiq; Shishin, Denis; Decterov, Sergei A.; Hayes, Peter C.; Jak, Evgueni

    2017-01-01

    Uncertainty in the metal price and competition between producers mean that the daily operation of a smelter needs to target high recovery of valuable elements at low operating cost. Options for the improvement of the plant operation can be examined and decision making can be informed based on accurate information from laboratory experimentation coupled with predictions using advanced thermodynamic models. Integrated high-temperature experimental and thermodynamic modelling research on phase equilibria and thermodynamics of copper-containing systems have been undertaken at the Pyrometallurgy Innovation Centre (PYROSEARCH). The experimental phase equilibria studies involve high-temperature equilibration, rapid quenching and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA). The thermodynamic modelling deals with the development of accurate thermodynamic database built through critical evaluation of experimental data, selection of solution models, and optimization of models parameters. The database covers the Al-Ca-Cu-Fe-Mg-O-S-Si chemical system. The gas, slag, matte, liquid and solid metal phases, spinel solid solution as well as numerous solid oxide and sulphide phases are included. The database works within the FactSage software environment. Examples of phase equilibria data and thermodynamic models of selected systems, as well as possible implementation of the research outcomes to selected copper making processes are presented.

  18. Balanced biochemical reactions: a new approach to unify chemical and biochemical thermodynamics.

    Science.gov (United States)

    Sabatini, Antonio; Vacca, Alberto; Iotti, Stefano

    2012-01-01

    A novel procedure is presented which, by balancing elements and electric charge of biochemical reactions which occur at constant pH and pMg, allows assessing the thermodynamics properties of reaction Δ(r)G'⁰, Δ(r)H'⁰, Δ(r)S'⁰ and the change in binding of hydrogen and magnesium ions of these reactions. This procedure of general applicability avoids the complex calculations required by the use of the Legendre transformed thermodynamic properties of formation Δ(f)G'⁰, Δ(f)H'⁰ and Δ(f)S'⁰ hitherto considered an obligatory prerequisite to deal with the thermodynamics of biochemical reactions. As a consequence, the term "conditional" is proposed in substitution of "Legendre transformed" to indicate these thermodynamics properties. It is also shown that the thermodynamic potential G is fully adequate to give a criterion of spontaneous chemical change for all biochemical reactions and then that the use of the Legendre transformed G' is unnecessary. The procedure proposed can be applied to any biochemical reaction, making possible to re-unify the two worlds of chemical and biochemical thermodynamics, which so far have been treated separately.

  19. Balanced biochemical reactions: a new approach to unify chemical and biochemical thermodynamics.

    Directory of Open Access Journals (Sweden)

    Antonio Sabatini

    Full Text Available A novel procedure is presented which, by balancing elements and electric charge of biochemical reactions which occur at constant pH and pMg, allows assessing the thermodynamics properties of reaction Δ(rG'⁰, Δ(rH'⁰, Δ(rS'⁰ and the change in binding of hydrogen and magnesium ions of these reactions. This procedure of general applicability avoids the complex calculations required by the use of the Legendre transformed thermodynamic properties of formation Δ(fG'⁰, Δ(fH'⁰ and Δ(fS'⁰ hitherto considered an obligatory prerequisite to deal with the thermodynamics of biochemical reactions. As a consequence, the term "conditional" is proposed in substitution of "Legendre transformed" to indicate these thermodynamics properties. It is also shown that the thermodynamic potential G is fully adequate to give a criterion of spontaneous chemical change for all biochemical reactions and then that the use of the Legendre transformed G' is unnecessary. The procedure proposed can be applied to any biochemical reaction, making possible to re-unify the two worlds of chemical and biochemical thermodynamics, which so far have been treated separately.

  20. An introduction to thermodynamics and statistical mechanics

    CERN Document Server

    Saxena, A K

    2016-01-01

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

  1. Nonequilibrium thermodynamics of restricted Boltzmann machines

    Science.gov (United States)

    Salazar, Domingos S. P.

    2017-08-01

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

  2. eQuilibrator—the biochemical thermodynamics calculator

    Science.gov (United States)

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

    2012-01-01

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

  3. Horizon thermodynamics in fourth-order gravity

    Directory of Open Access Journals (Sweden)

    Meng-Sen Ma

    2017-03-01

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

  4. Advanced working fluids: Thermodynamic properties

    Science.gov (United States)

    Lee, Lloyd L.; Gering, Kevin L.

    1990-10-01

    Electrolytes are used as working fluids in gas fired heat pump chiller engine cycles. To find out which molecular parameters of the electrolytes impact on cycle performance, a molecular theory is developed for calculating solution properties, enthalpies, vapor-liquid equilibria, and engine cycle performance. Aqueous and ammoniac single and mixed salt solutions in single and multisolvent systems are investigated. An accurate correlation is developed to evaluate properties for concentrated electrolyte solutions. Sensitivity analysis is used to determine the impact of molecular parameters on the thermodynamic properties and cycle performance. The preferred electrolytes are of 1-1 valence type, small ion size, high molecular weight, and in strongly colligative cosolvent. The operating windows are determined for a number of absorption fluids of industrial importance.

  5. Thermodynamic cost of external control

    Science.gov (United States)

    Barato, Andre C.; Seifert, Udo

    2017-07-01

    Artificial molecular machines are often driven by the periodic variation of an external parameter. This external control exerts work on the system of which a part can be extracted as output if the system runs against an applied load. Usually, the thermodynamic cost of the process that generates the external control is ignored. Here, we derive a refined second law for such small machines that include this cost, which is, for example, generated by free energy consumption of a chemical reaction that modifies the energy landscape for such a machine. In the limit of irreversible control, this refined second law becomes the standard one. Beyond this ideal limiting case, our analysis shows that due to a new entropic term unexpected regimes can occur: the control work can be smaller than the extracted work and the work required to generate the control can be smaller than this control work. Our general inequalities are illustrated by a paradigmatic three-state system.

  6. Quantum cosmic models and thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, Pedro F; Rozas-Fernandez, Alberto [Colina de los Chopos, Centro de Fisica ' Miguel A Catalan' , Instituto de Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, Serrano 121, 28006 Madrid (Spain)], E-mail: p.gonzalezdiaz@imaff.cfmac.csic.es, E-mail: a.rozas@cfmac.csic.es

    2008-09-07

    The current accelerating phase of the evolution of the universe is considered by constructing the most economical cosmic models that use just general relativity and some dominating quantum effects associated with the probabilistic description of quantum physics. Two such models are explicitly analyzed. They are based on the existence of a sub-quantum potential and correspond to a generalization of the spatially flat exponential model of de Sitter space. The thermodynamics of these two cosmic solutions is discussed, using the second principle as a guide to choose which among the two is more feasible. The paper also discusses the relativistic physics on which the models are based, their holographic description, some implications from the classical energy conditions and an interpretation of dark energy in terms of the entangled energy of the universe.

  7. Thermodynamic modeling of complex systems

    DEFF Research Database (Denmark)

    Liang, Xiaodong

    been developed, which has avoided the numerical pitfalls of having more than three volume roots in the real application range. It has been shown that it is possible to directly use the original PC-SAFT parameters with the new universal constants for the systems considered in this thesis. Finally...... after an oil spill. Engineering thermodynamics could be applied in the state-of-the-art sonar products through advanced artificial technology, if the speed of sound, solubility and density of oil-seawater systems could be satisfactorily modelled. The addition of methanol or glycols into unprocessed well...... streams during subsea pipelines is necessary to inhibit gas hydrate formation, and the offshore reservoirs often mean complicated temperature and pressure conditions. Accurate description of the phase behavior and thermalphysical properties of complex systems containing petroleum fluids and polar...

  8. Thermodynamic properties of Dynes superconductors

    Science.gov (United States)

    Herman, František; Hlubina, Richard

    2018-01-01

    The tunneling density of states in dirty s -wave superconductors is often well described by the phenomenological Dynes formula. Recently we have shown that this formula can be derived, within the coherent potential approximation, for superconductors with simultaneously present pair-conserving and pair-breaking impurity scattering. Here we demonstrate that the theory of such so-called Dynes superconductors is thermodynamically consistent. We calculate the specific heat and critical field of the Dynes superconductors, and we show that their gap parameter, specific heat, critical field, and penetration depth exhibit power-law scaling with temperature in the low-temperature limit. We also show that in the vicinity of a coupling-constant-controlled superconductor to normal metal transition, the Homes law is replaced by a different, pair-breaking-dominated scaling law.

  9. Modeling the thermodynamics of QCD

    Energy Technology Data Exchange (ETDEWEB)

    Hell, Thomas

    2010-07-26

    Strongly interacting (QCD) matter is expected to exhibit a multifaceted phase structure: a hadron gas at low temperatures, a quark-gluon plasma at very high temperatures, nuclear matter in the low-temperature and high-density region, color superconductors at asymptotically high densities. Most of the conjectured phases cannot yet be scrutinized by experiments. Much of the present picture - particularly concerning the intermediate temperature and density area of the phase diagram of QCD matter - is based on model calculations. Further insights come from Lattice-QCD computations. The present thesis elaborates a nonlocal covariant extension of the Nambu and Jona-Lasinio (NJL) model with built-in constraints from the running coupling of QCD at high-momentum and instanton physics at low-momentum scales. We present this model for two and three quark flavors (in the latter case paying particular attention to the axial anomaly). At finite temperatures and densities, gluon dynamics is incorporated through a gluonic background field, expressed in terms of the Polyakov loop (P). The thermodynamics of this nonlocal PNJL model accounts for both chiral and deconfinement transitions. We obtain results in mean-field approximation and beyond, including additional pionic and kaonic contributions to the chiral condensate, the pressure and other thermodynamic quantities. Finally, the nonlocal PNJL model is applied to the finite-density region of the QCD phase diagram; for three quark flavors we investigate, in particular, the dependence of the critical point appearing in the models on the axial anomaly. The thesis closes with a derivation of the nonlocal PNJL model from first principles of QCD. (orig.)

  10. Chemistry of the actinide elements. Vol. 1, 2nd Ed

    Energy Technology Data Exchange (ETDEWEB)

    Katz, J.J.; Morss, L.R.; Seaborg, L.R. (eds.)

    1986-01-01

    The Chemistry of the Actinide Elements is a comprehensive, contemporary and authoritative exposition of the chemistry and related properties of the 5f series of elements: actinium, thorium, protactinium, uranium and the first eleven transuranium elements. This second edition has been completely restructured and rewritten to incorporate current research in all areas of actinide chemistry and chemical physics. The descriptions of each element include accounts of their history, separation, metallurgy, solid-state chemistry, solution chemistry, thermodynamics and kinetics. Additionally, separate chapters on spectroscopy, magnetochemistry, thermodynamics, solids, the metallic state, complex ions and organometallic compounds emphasize the comparative chemistry and unique properties of the actinide series of elements. Comprehensive lists of properties of all actinide compounds and ions in solution are given, and there are special sections on such topics as biochemistry, superconductivity, radioisotope safety, and waste management, as well as discussion of the transactinides and future elements.

  11. CTserver: A Computational Thermodynamics Server for the Geoscience Community

    Science.gov (United States)

    Kress, V. C.; Ghiorso, M. S.

    2006-12-01

    The CTserver platform is an Internet-based computational resource that provides on-demand services in Computational Thermodynamics (CT) to a diverse geoscience user base. This NSF-supported resource can be accessed at ctserver.ofm-research.org. The CTserver infrastructure leverages a high-quality and rigorously tested software library of routines for computing equilibrium phase assemblages and for evaluating internally consistent thermodynamic properties of materials, e.g. mineral solid solutions and a variety of geological fluids, including magmas. Thermodynamic models are currently available for 167 phases. Recent additions include Duan, Møller and Weare's model for supercritical C-O-H-S, extended to include SO2 and S2 species, and an entirely new associated solution model for O-S-Fe-Ni sulfide liquids. This software library is accessed via the CORBA Internet protocol for client-server communication. CORBA provides a standardized, object-oriented, language and platform independent, fast, low-bandwidth interface to phase property modules running on the server cluster. Network transport, language translation and resource allocation are handled by the CORBA interface. Users access server functionality in two principal ways. Clients written as browser- based Java applets may be downloaded which provide specific functionality such as retrieval of thermodynamic properties of phases, computation of phase equilibria for systems of specified composition, or modeling the evolution of these systems along some particular reaction path. This level of user interaction requires minimal programming effort and is ideal for classroom use. A more universal and flexible mode of CTserver access involves making remote procedure calls from user programs directly to the server public interface. The CTserver infrastructure relieves the user of the burden of implementing and testing the often complex thermodynamic models of real liquids and solids. A pilot application of this distributed

  12. Glycosylation and thermodynamic versus kinetic stability of horseradish peroxidase

    DEFF Research Database (Denmark)

    Tams, J.W.; Welinder, Karen G.

    1998-01-01

    Glycoprotein stability, glycoprotein unfolding, horseradish peroxidase, thermodynamic stability, kinetik stability......Glycoprotein stability, glycoprotein unfolding, horseradish peroxidase, thermodynamic stability, kinetik stability...

  13. 36 CFR 230.35 - FLEP elements.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false FLEP elements. 230.35 Section... FORESTRY ASSISTANCE Forest Land Enhancement Program § 230.35 FLEP elements. (a) States may use FLEP funds... through the following elements: (1) Development and implementation of educational programs; (2) Resource...

  14. JAC3D -- A three-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    Energy Technology Data Exchange (ETDEWEB)

    Biffle, J.H.

    1993-02-01

    JAC3D is a three-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equation. The method is implemented in a three-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. An eight-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic-plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  15. JAC2D: A two-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    Energy Technology Data Exchange (ETDEWEB)

    Biffle, J.H.; Blanford, M.L.

    1994-05-01

    JAC2D is a two-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equations. The method is implemented in a two-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. A four-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic/plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  16. Element 115

    OpenAIRE

    Forsberg, Ulrika

    2016-01-01

    This thesis is devoted to detailed studies of element 115 decay chains using the highly efficient multi-coincidence alpha, electron, gamma and X-ray detector setup TASISpec at the gas-filled separator TASCA at GSI, Darmstadt, Germany. In a three-week long experiment thirty new decay chains assumed to stem from element 115 isotopes were observed together with the very first detections of gamma rays and potential X-rays from these nuclei. Paper I describes preparations in terms of optimisations...

  17. JNC thermodynamic database for performance assessment of high-level radioactive waste disposal system

    Energy Technology Data Exchange (ETDEWEB)

    Yui, Mikazu; Azuma, Jiro; Shibata, Masahiro [Japan Nuclear Cycle Development Inst., Tokai Works, Waste Isolation Research Division, Tokai, Ibaraki (Japan)

    1999-11-01

    This report is a summary of status, frozen datasets, and future tasks of the JNC (Japan Nuclear Cycle Development Institute) thermodynamic database (JNC-TDB) for assessing performance of high-level radioactive waste in geological environments. The JNC-TDB development was carried out after the first progress report on geological disposal research in Japan (H-3). In the development, thermodynamic data (equilibrium constants at 25degC, I=0) for important radioactive elements were selected/determined based on original experimental data using different models (e.g., SIT, Pitzer). As a result, the reliability and traceability of the data for most of the important elements were improved over those of the PNC-TDB used in H-3 report. For detailed information of data analysis and selections for each element, see the JNC technical reports listed in this document. (author)

  18. Thermodynamic properties of uranium--mercury system

    Energy Technology Data Exchange (ETDEWEB)

    Lee, T.S.

    1979-01-01

    The EMF values in the fused salt cells of the type U(..cap alpha..)/KCl--LiCl--BaCl/sub 2/ eutectic, UCl/sub 3//U--Hg alloy, for the different two-phase alloys in the uranium--mercury system have been measured and the thermodynamic properties of this system have been calculated. These calculated values are in good agreement with values based on mercury vapor pressure measurements made by previous investigators. The inconsistency of the thermodynamic properties with the phase diagram determined by Frost are also confirmed. A tentative phase diagram based on the thermodynamic properties measured in this work was constructed.

  19. Introduction to physics mechanics, hydrodynamics thermodynamics

    CERN Document Server

    Frauenfelder, P

    2013-01-01

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

  20. Thermodynamic Formalism and Applications to Dimension Theory

    CERN Document Server

    Barreira, Luis

    2011-01-01

    This self-contained monograph presents a unified exposition of the thermodynamic formalism and some of its main extensions, with emphasis on the relation to dimension theory and multifractal analysis of dynamical systems. In particular, the book considers three different flavors of the thermodynamic formalism, namely nonadditive, subadditive, and almost additive, and provides a detailed discussion of some of the most significant results in the area, some of them quite recent. It also includes a discussion of the most substantial applications of these flavors of the thermodynamic formalism to d

  1. Thermodynamic Volume in AdS/CFT

    Science.gov (United States)

    Kim, Kyung Kiu; Ahn, Byoungjoon

    2018-01-01

    In this note, we study on extended thermodynamics of AdS black holes by varying cosmological constant. We found and discussed pressure and volume of both bulk and boundary physics through AdS/CFT correspondence. In particular, we derive the relation between thermodynamic volume and a chemical potential for M2 brane dual to four dimensional AdS space. In addition, we show that thermodynamic volume of hyperbolic black hole is related to `entanglement pressure' coming from a generalized first law of entanglement entropy.

  2. Thermodynamics of cosmological matter creation

    Science.gov (United States)

    Prigogine, I.; Geheniau, J.; Gunzig, E.; Nardone, P.

    1988-01-01

    A type of cosmological history that includes large-scale entropy production is proposed. These cosmologies are based on reinterpretation of the matter-energy stress tensor in Einstein's equations. This modifies the usual adiabatic energy conservation laws, thereby including irreversible matter creation. This creation corresponds to an irreversible energy flow from the gravitational field to the created matter constituents. This point of view results from consideration of the thermodynamics of open systems in the framework of cosmology. It is shown that the second law of thermodynamics requires that space-time transforms into matter, while the inverse transformation is forbidden. It appears that the usual initial singularity associated with the big bang is structurally unstable with respect to irreversible matter creation. The corresponding cosmological history therefore starts from an instability of the vacuum rather than from a singularity. This is exemplified in the framework of a simple phenomenological model that leads to a three-stage cosmology: the first drives the cosmological system from the initial instability to a de Sitter regime, and the last connects with the usual matter-radiation Robertson-Walker universe. Matter as well as entropy creation occurs during the first two stages, while the third involves the traditional cosmological evolution. A remarkable fact is that the de Sitter stage appears to be an attractor independent of the initial fluctuation. This is also the case for all the physical predictions involving the present Robertson-Walker universe. Most results obtained previously, in the framework of quantum field theory, can now be obtained on a macroscopic basis. It is shown that this description leads quite naturally to the introduction of primeval black holes as the intermediate stage between the Minkowski vacuum and the present matter-radiation universe. The instability at the origin of the universe is the result of fluctuations of the

  3. Thermodynamics of cosmological matter creation.

    Science.gov (United States)

    Prigogine, I; Geheniau, J; Gunzig, E; Nardone, P

    1988-10-01

    A type of cosmological history that includes large-scale entropy production is proposed. These cosmologies are based on reinterpretation of the matter-energy stress tensor in Einstein's equations. This modifies the usual adiabatic energy conservation laws, thereby including irreversible matter creation. This creation corresponds to an irreversible energy flow from the gravitational field to the created matter constituents. This point of view results from consideration of the thermodynamics of open systems in the framework of cosmology. It is shown that the second law of thermodynamics requires that space-time transforms into matter, while the inverse transformation is forbidden. It appears that the usual initial singularity associated with the big bang is structurally unstable with respect to irreversible matter creation. The corresponding cosmological history therefore starts from an instability of the vacuum rather than from a singularity. This is exemplified in the framework of a simple phenomenological model that leads to a three-stage cosmology: the first drives the cosmological system from the initial instability to a de Sitter regime, and the last connects with the usual matter-radiation Robertson-Walker universe. Matter as well as entropy creation occurs during the first two stages, while the third involves the traditional cosmological evolution. A remarkable fact is that the de Sitter stage appears to be an attractor independent of the initial fluctuation. This is also the case for all the physical predictions involving the present Robertson-Walker universe. Most results obtained previously, in the framework of quantum field theory, can now be obtained on a macroscopic basis. It is shown that this description leads quite naturally to the introduction of primeval black holes as the intermediate stage between the Minkowski vacuum and the present matter-radiation universe. The instability at the origin of the universe is the result of fluctuations of the

  4. Thermodynamics of quantum spacetime histories

    Science.gov (United States)

    Smolin, Lee

    2017-11-01

    We show that the simplicity constraints, which define the dynamics of spin foam models, imply, and are implied by, the first law of thermodynamics, when the latter is applied to causal diamonds in the quantum spacetime. This result reveals an intimate connection between the holographic nature of gravity, as reflected by the Bekenstein entropy, and the fact that general relativity and other gravitational theories can be understood as constrained topological field theories. To state and derive this correspondence we describe causal diamonds in the causal structure of spin foam histories and generalize arguments given for the near horizon region of black holes by Frodden, Gosh and Perez [Phys. Rev. D 87, 121503 (2013); , 10.1103/PhysRevD.87.121503Phys. Rev. D 89, 084069 (2014); , 10.1103/PhysRevD.89.084069Phys. Rev. Lett. 107, 241301 (2011); , 10.1103/PhysRevLett.107.241301Phys. Rev. Lett.108, 169901(E) (2012)., 10.1103/PhysRevLett.108.169901] and Bianchi [arXiv:1204.5122.]. This allows us to apply a recent argument of Jacobson [Phys. Rev. Lett. 116, 201101 (2016).10.1103/PhysRevLett.116.201101] to show that if a spin foam history has a semiclassical limit described in terms of a smooth metric geometry, that geometry satisfies the Einstein equations. These results suggest also a proposal for a quantum equivalence principle.

  5. Thermodynamics of Quantum Feedback Cooling

    Directory of Open Access Journals (Sweden)

    Pietro Liuzzo-Scorpo

    2016-02-01

    Full Text Available The ability to initialize quantum registers in pure states lies at the core of many applications of quantum technologies, from sensing to quantum information processing and computation. In this paper, we tackle the problem of increasing the polarization bias of an ensemble of two-level register spins by means of joint coherent manipulations, involving a second ensemble of ancillary spins and energy dissipation into an external heat bath. We formulate this spin refrigeration protocol, akin to algorithmic cooling, in the general language of quantum feedback control, and identify the relevant thermodynamic variables involved. Our analysis is two-fold: on the one hand, we assess the optimality of the protocol by means of suitable figures of merit, accounting for both its work cost and effectiveness; on the other hand, we characterise the nature of correlations built up between the register and the ancilla. In particular, we observe that neither the amount of classical correlations nor the quantum entanglement seem to be key ingredients fuelling our spin refrigeration protocol. We report instead that a more general indicator of quantumness beyond entanglement, the so-called quantum discord, is closely related to the cooling performance.

  6. Thermodynamics of superconducting quantum metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Dallaire-Demers, Pierre-Luc; Wilhelm-Mauch, Frank [Universitaet des Saarlandes (Germany)

    2015-07-01

    Left-handed matematerials are capacitively coupled layers of inductive pieces of conductors. These systems are well studied in the context of microwave metamaterials but their full quantum description or their embedding in highly correlated materials like superconductors are still an open problem. Notably, they are known to have a Van Hove singularity in the density of states at low energy and high pseudo-momentum that could effectively couple and condense Cooper pairs. The goal of this research is to analyze the thermodynamical properties of the order parameter of stacked layers of superconductors with a small repulsive Coulomb interaction. A 3D toy model of such a material is mapped to a Fermi-Hubbard lattice. The temperature dependent anomalous correlation functions are computed variationally from a self-energy functional of a small cluster where inter-cluster tunneling is treated perturbatively. The effect of the repulsive interaction on the Cooper pairs binding can then be seen from the momentum distribution of the condensation amplitude. Such a material could potentially be realized with optical lattices or nanoscaled superconductors.

  7. An approximate local thermodynamic nonequilibrium radiation model for air

    Science.gov (United States)

    Gally, Thomas A.; Carlson, Leland A.

    1992-01-01

    A radiatively coupled viscous shock layer analysis program which includes chemical and thermal nonequilibrium is used to calculate stagnation point flow profiles for typical aeroassisted orbital transfer vehicle conditions. Two methods of predicting local thermodynamic nonequilibrium radiation effects are used as a first and second order approximation to this phenomena. Tabulated results for both nitrogen and air freestreams are given with temperature, species, and radiation profiles for some air conditions. Two body solution results are shown for 45 and 60 degree hyperboloid bodies at 12 km/sec and 80 km altitude. The presented results constitute an advancement in the engineering modeling of radiating nonequilibrium reentry flows.

  8. [Thermodynamics of life from the point of view of technical thermodynamics and exergy].

    Science.gov (United States)

    Grassmann, P

    1984-07-01

    All living beings are, from the thermodynamic point of view, open, well regulated, and optimized systems with considerable internal irreversibilities. However scientific research is mainly based on closed systems. The theory of open systems is very well developed in engineering thermodynamics. Here the concept of "exergy"--the thermodynamic potential related to given surroundings--clearly distinguishes between the two concepts of the word "energy".

  9. Universalities of thermodynamic signatures in topological phases

    NARCIS (Netherlands)

    Kempkes, S. N.; Quelle, A.; de Morais Smith, C.

    2016-01-01

    Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive

  10. Thermodynamic Products in the Extended Phase Space

    CERN Document Server

    Pradhan, Parthapratim

    2016-01-01

    We have examined the thermodynamic properties of spherically symmetric charged-AdS black hole, charged AdS BH surrounded by quintessence and charged AdS BH in $f(R)$ gravity in the extended phase-space. Where the cosmological constant should be treated as thermodynamic pressure and its conjugate parameter as thermodynamic volume. Then they should behave as a analog of Van der Waal like systems. In the extended phase space we have calculated the \\emph{entropy product} and \\emph{thermodynamic volume product} of all horizons. The mass(or enthalpy) independent nature of the said products signals they are "universal" quantities. Various types of pictorial diagram of the specific heat is given. The divergence of the specific heat indicates that the second order phase transition occurs under certain condition.

  11. Metrics and Energy Landscapes in Irreversible Thermodynamics

    Directory of Open Access Journals (Sweden)

    Bjarne Andresen

    2015-09-01

    Full Text Available We describe how several metrics are possible in thermodynamic state space but that only one, Weinhold’s, has achieved widespread use. Lengths calculated based on this metric have been used to bound dissipation in finite-time (irreversible processes be they continuous or discrete, and described in the energy picture or the entropy picture. Examples are provided from thermodynamics of heat conversion processes as well as chemical reactions. Even losses in economics can be bounded using a thermodynamic type metric. An essential foundation for the metric is a complete equation of state including all extensive variables of the system; examples are given. Finally, the second law of thermodynamics imposes convexity on any equation of state, be it analytical or empirical.

  12. Quantum thermodynamics of general quantum processes.

    Science.gov (United States)

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

    2015-03-01

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

  13. Thermodynamics of sedimentation in paucidisperse systems

    NARCIS (Netherlands)

    Hooyman, G.J.

    1956-01-01

    The previously given treatment of sedimentation phenomena in monodisperse uncharged systems with the help of thermodynamics of irreversible processes is extended to paucidisperse systems. The sedimentation rates of the components are derived by neglecting transverse effects and by introducing the

  14. Fluctuations of Intensive Quantities in Statistical Thermodynamics

    Directory of Open Access Journals (Sweden)

    Artur E. Ruuge

    2013-11-01

    Full Text Available In phenomenological thermodynamics, the canonical coordinates of a physical system split in pairs, with each pair consisting of an extensive quantity and an intensive one. In the present paper, the quasithermodynamic fluctuation theory of a model system of a large number of oscillators is extended to statistical thermodynamics based on the idea of perceiving the fluctuations of intensive variables as the fluctuations of specific extensive ones in a “thermodynamically dual” system. The extension is motivated by the symmetry of the problem in the context of an analogy with quantum mechanics, which is stated in terms of a generalized Pauli problem for the thermodynamic fluctuations. The doubled Boltzmann constant divided by the number of particles plays a similar role as the Planck constant.

  15. The entropy principle thermodynamics for the unsatisfied

    CERN Document Server

    Thess, André

    2011-01-01

    Entropy is the most important and the most difficult to understand term of thermodynamics. This book helps make this key concept understandable. It includes seven illustrative examples of applications of entropy, which are presented step by step.

  16. Thermodynamics of Computational Copying in Biochemical Systems

    Science.gov (United States)

    Ouldridge, Thomas E.; Govern, Christopher C.; ten Wolde, Pieter Rein

    2017-04-01

    Living cells use readout molecules to record the state of receptor proteins, similar to measurements or copies in typical computational devices. But is this analogy rigorous? Can cells be optimally efficient, and if not, why? We show that, as in computation, a canonical biochemical readout network generates correlations; extracting no work from these correlations sets a lower bound on dissipation. For general input, the biochemical network cannot reach this bound, even with arbitrarily slow reactions or weak thermodynamic driving. It faces an accuracy-dissipation trade-off that is qualitatively distinct from and worse than implied by the bound, and more complex steady-state copy processes cannot perform better. Nonetheless, the cost remains close to the thermodynamic bound unless accuracy is extremely high. Additionally, we show that biomolecular reactions could be used in thermodynamically optimal devices under exogenous manipulation of chemical fuels, suggesting an experimental system for testing computational thermodynamics.

  17. Thermodynamic considerations in renal separation processes

    National Research Council Canada - National Science Library

    Robert H Louw; David M Rubin; David Glasser; Robyn F R Letts; Diane Hildebrandt

    2017-01-01

    .... This study uses a thermodynamic analysis to evaluate the minimum work requirements for urine production in the human kidney and provide a new perspective on the energy costs of urine production...

  18. Fundamental geosciences program. Annual report, 1977

    Energy Technology Data Exchange (ETDEWEB)

    Witherspoon, P.A.; Apps, J.A.

    1977-01-01

    The geoscience program relating to geothermal energy consists of four projects. In the project on reservoir dynamics, sophisticated codes have been written to simulate the dynamics of heat flow in geothermal reservoir systems. These codes have also been applied to the investigations of natural aquifers as a storage system for thermal energy. In the second project, core samples are studied to determine the high temperature and high pressure behavior of aquifers in the presence of saturating fluids. The third project covers the systematic evaluation of the thermodynamic properties of electrolytes in order to interpret the behavior of geothermal fluids. The fourth project involves hydrothermal solubility measurements of various minerals to elucidate the chemistry and mass transfer in geothermal systems. The second major program includes four projects which involve precise measurements and analysis of physical and chemical properties of geologic materials. These include measurements of the thermodynamic properties (viscosity, density and heat capacity) of silicate materials to help understand magma genesis and evolution, high-precision neutron activation analysis of rare and trace elements in magmatic materials, and the precise measurement of seismic wave velocities near geological faults, in order to determine the buildup of stress in the earth's crust. Third, the development program in fundamental geosciences includes six innovative projects. These projects include research in the in situ leaching of uranium ore, properties of magmas, removal of pyrite from coal, properties of soils and soft rocks, stress flow behavior of fractured rock systems, and high-precision mass spectrometry.

  19. The chemistry of the actinide elements, Volume II

    Energy Technology Data Exchange (ETDEWEB)

    Katz, J.J.; Seaborg, G.T.; Morss, L.R.

    1986-01-01

    The Chemistry of the Actinide Elements is an exposition of the chemistry and related properties of the 5f series of elements: actinium, thorium, protactinium, uranium and the first eleven. This second edition has been completely restructured and rewritten to incorporate current research in all areas of actinide chemistry and chemical physics. The descriptions of each element include accounts of their history, separation, metallurgy, solid-state chemistry, solution chemistry, thermo-dynamics and kinetics. Additionally, separate chapters on spectroscopy, magnetochemistry, thermodynamics, solids, the metallic state, complex ions and organometallic compounds emphasize the comparative chemistry and unique properties of the actinide series of elements. Comprehensive lists of properties of all actinide compounds and ions in solution are given, and there are special sections on such topics as biochemistry, superconductivity, radioisotope safety, and waste management, as well as discussion of the transactinides and future elements.

  20. Chemistry of the actinide elements. Vol. 2. 2. Ed

    Energy Technology Data Exchange (ETDEWEB)

    Katz, J.J.; Morss, L.R.; Seaborg, G.T. (eds.)

    1986-01-01

    This is a comprehensive, exposition of the chemistry and related properties of the 5f series of elements: actinium, thorium, protactinium, uranium and the first eleven transuranium elements. The descriptions of each element include accounts of their history, separation, metallurgy, solid-state chemistry, solution chemistry, thermodynamics and kinetics. Additionally, separate chapters on spectroscopy, magnetochemistry, thermodynamics, solids, the metallic state, complex ions and organometallic compounds emphasize the comparative chemistry and unique properties of the actinide series of elements. Comprehensive list of properties of all actinide compounds and ions in solution are given, and there are special sections on such topics as biochemistry, superconductivity, radioisotope safety, and waste management, as well as discussion of the transactinides and future elements.

  1. The chemistry of the actinide elements. Volume I

    Energy Technology Data Exchange (ETDEWEB)

    Katz, J.J.; Seaborg, G.T.; Morss, L.R.

    1986-01-01

    The Chemistry of the Actinide Elements is a comprehensive, contemporary and authoritative exposition of the chemistry and related properties of the 5f series of elements: actinium, thorium, protactinium, uranium and the first eleven. This second edition has been completely restructured and rewritten to incorporate current research in all areas of actinide chemistry and chemical physics. The descriptions of each element include accounts of their history, separation, metallurgy, solid-state chemistry, solution chemistry, thermo-dynamics and kinetics. Additionally, separate chapters on spectroscopy, magnetochemistry, thermodynamics, solids, the metallic state, complex ions and organometallic compounds emphasize the comparative chemistry and unique properties of the actinide series of elements. Comprehensive lists of properties of all actinide compounds and ions in solution are given, and there are special sections on such topics as biochemistry, superconductivity, radioisotope safety, and waste management, as well as discussion of the transactinides and future elements.

  2. Universalities of thermodynamic signatures in topological phases

    OpenAIRE

    S. N. Kempkes; Quelle, A.; de Morais Smith, C.

    2016-01-01

    Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive contribution to the thermodynamic potential, and secondly because topological field theories involve non-local order parameters, and cannot be captured by the Ginzburg-Landau formalism. Recently, this ch...

  3. Tables of thermodynamic properties of sodium

    Energy Technology Data Exchange (ETDEWEB)

    Fink, J.K.

    1982-06-01

    The thermodynamic properties of saturated sodium, superheated sodium, and subcooled sodium are tabulated as a function of temperature. The temperature ranges are 380 to 2508 K for saturated sodium, 500 to 2500 K for subcooled sodium, and 400 to 1600 K for superheated sodium. Tabulated thermodynamic properties are enthalpy, heat capacity, pressure, entropy, density, instantaneous thermal expansion coefficient, compressibility, and thermal pressure coefficient. Tables are given in SI units and cgs units.

  4. Thermodynamical analysis of human thermal comfort

    OpenAIRE

    Prek, Matjaž

    2015-01-01

    Traditional methods of human thermal comfort analysis are based on the first law of thermodynamics. These methods use an energy balance of the human body to determine heat transfer between the body and its environment. By contrast, the second law of thermodynamics introduces the useful concept of exergy. It enables the determination of the exergy consumption within the human body dependent on human and environmental factors. Human body exergy consumption varies with the combination of environ...

  5. Molecular thermodynamics using fluctuation solution theory

    DEFF Research Database (Denmark)

    Ellegaard, Martin Dela

    to relevant experimental data is limited. This thesis addresses the issue of generating and using simple thermodynamic models within a rigorous statistical mechanical framework, the so-called fluctuation solution theory, from which relations connecting properties and phase equilibria can be obtained....... The framework relates thermodynamic variables to molecular pair correlation functions of liquid mixtures. In this thesis, application of the framework is illustrated using two approaches: 1. Solubilities of solid solutes in mixed solvent systems are determined from fluctuation solution theory application...

  6. OPTIMAL PROCESSES IN IRREVERSIBLE THERMODYNAMICS AND MICROECONOMICS

    Directory of Open Access Journals (Sweden)

    Vladimir A. Kazakov

    2004-06-01

    Full Text Available This paper describes general methodology that allows one to extend Carnot efficiency of classical thermodynamic for zero rate processes onto thermodynamic systems with finite rate. We define the class of minimal dissipation processes and show that it represents generalization of reversible processes and determines the limiting possibilities of finite rate systems. The described methodology is then applied to microeconomic exchange systems yielding novel estimates of limiting efficiencies for such systems.

  7. Hadron thermodynamics in relativistic nuclear collisions

    Science.gov (United States)

    Ammiraju, P.

    1985-01-01

    Various phenomenological models based on statistical thermodynamical considerations were used to fit the experimental data at high P sub T to a two temperature distribution. Whether this implies that the two temperatures belong to two different reaction mechanisms, or consequences of Lorentz-contraction factor, or related in a fundamental way to the intrinsic thermodynamics of Space-Time can only be revealed by further theoretical and experimental investigations of high P sub T phenomena in extremely energetic hadron-hadron collisions.

  8. Thermodynamics for separation-process technology

    Energy Technology Data Exchange (ETDEWEB)

    Prausnitz, J.M.

    1995-10-01

    When contemplating or designing a separation process, every chemical engineer at once recognizes the thermodynamic boundary conditions that must be satisfied: when a mixture is continuously processed to yield at least partially purified products, energy and mass must be conserved and work must be done. In his daily tasks, a chemical engineer uses thermodynamic concepts as tacit, almost subconscious, knowledge. Thus, qualitative thermodynamics significantly informs process conception at its most fundamental level. However, quantitative design requires detailed knowledge of thermodynamic relations and physical chemistry. Most process engineers, concerned with flow sheets and economics, cannot easily command that detailed knowledge and therefore it is advantageous for them to maintain close contact with those specialists who do. Quantitative chemical thermodynamics provides an opportunity to evaluate possible separation processes not only because it may give support to the process engineer`s bold imagination but also because, when coupled with molecular models, it can significantly reduce the experimental effort required to determine an optimum choice of process alternatives. Six examples are presented to indicate the application of thermodynamics for conventional and possible future separation processes.

  9. Universalities of thermodynamic signatures in topological phases

    Science.gov (United States)

    Kempkes, S. N.; Quelle, A.; Smith, C. Morais

    2016-01-01

    Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive contribution to the thermodynamic potential, and secondly because topological field theories involve non-local order parameters, and cannot be captured by the Ginzburg-Landau formalism. Recently, this challenge has been overcome: by using Hill thermodynamics to describe the Bernevig-Hughes-Zhang model in two dimensions, it was shown that at the topological phase transition the thermodynamic potential does not scale extensively due to boundary effects. Here, we extend this approach to different topological models in various dimensions (the Kitaev chain and Su-Schrieffer-Heeger model in one dimension, the Kane-Mele model in two dimensions and the Bernevig-Hughes-Zhang model in three dimensions) at zero temperature. Surprisingly, all models exhibit the same universal behavior in the order of the topological-phase transition, depending on the dimension. Moreover, we derive the topological phase diagram at finite temperature using this thermodynamic description, and show that it displays a good agreement with the one calculated from the Uhlmann phase. Our work reveals unexpected universalities and opens the path to a thermodynamic description of systems with a non-local order parameter. PMID:27929041

  10. Thermodynamic DFT analysis of natural gas.

    Science.gov (United States)

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

    2017-08-01

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

  11. Thermodynamic properties of potassium oxides

    Energy Technology Data Exchange (ETDEWEB)

    Byker, H.J. (Montana State Univ., Bozeman); Eliezer, I.; Howald, R.C.; Ehlert, T.C.

    1979-09-01

    KO/sub 0/ /sub 5/ has been prepared by the reaction of excess potassium with KNO/sub 3/ in an effusion cell. Observations of the 2KO/sub 0/ /sub 5/ ..-->.. K/sub 2/O(g) equilibrium mass spectrometrically give a new value for the enthalpy of solid KO/sub 0/ /sub 5/, ..delta..H/sub f,298//sup 0/ = -170 +- 5 kJ mol/sup -1/. Observations on KO/sup +/ in the same series of experiments give good estimates for the thermodynamic properties of K/sub 2/O/sub 2/(g). This leads to an improved interpretation of data on the vaporization of KO/sub 0/ /sub 5/-K/sub 2/O/sub 2/ mixtures and solutions. Similarly literature data on the K/sub 2/O/sub 2/-KO/sub 2/ system have been collected and reexamined, leading to the values ..delta..H/sub f,298//sup 0/ = -495.4 kJ mol/sup -1/ and S/sub 298//sup 0/ = 110.1 J mol/sup -1/ K/sup -1/ for K/sub 2/O/sub 2/(s). We have calculated a preliminary phase diagram for the entire region from KO/sub 0/ /sub 5/ to KO/sub 2/, treating the liquid as solutions of O (1) in KO/sub 0/ /sub 5/ (1). Differential thermal analysis data supporting the calculated phase diagram are reported.

  12. Free energy of formation of Mo2C and the thermodynamic properties of carbon in solid molybdenum

    Science.gov (United States)

    Seigle, L. L.; Chang, C. L.; Sharma, T. P.

    1979-01-01

    As part of a study of the thermodynamical properties of interstitial elements in refractory metals, the free energy of formation of Mo2C is determined, and the thermodynamical properties of C in solution in solid Mo evaluated. The activity of C in the two-phase region Mo + Mo2C is obtained from the C content of iron rods equilibrated with metal + carbide powder mixtures. The free energy of formation of alpha-Mo2C is determined from the activity data. The thermodynamic properties of C in the terminal solid solution are calculated from available data on the solid solubility of C in Mo. Lattice distortion due to misfit of the C atoms in the interstitial sites appears to play a significant role in determining the thermodynamic properties of C in solid Mo.

  13. Thermodynamic modeling and kinetics simulation of precipitate phases in AISI 316 stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Y., E-mail: yangying@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Busby, J.T. [Fusion and Materials for Nuclear Systems Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2014-05-01

    This work aims at utilizing modern computational microstructural modeling tools to accelerate the understanding of phase stability in austenitic steels under extended thermal aging. Using the CALPHAD approach, a thermodynamic database OCTANT (ORNL Computational Thermodynamics for Applied Nuclear Technology), including elements of Fe, C, Cr, Ni, Mn, Mo, Si, and Ti, has been developed with a focus on reliable thermodynamic modeling of precipitate phases in AISI 316 austenitic stainless steels. The thermodynamic database was validated by comparing the calculated results with experimental data from commercial 316 austenitic steels. The developed computational thermodynamics was then coupled with precipitation kinetics simulation to understand the temporal evolution of precipitates in austenitic steels under long-term thermal aging (up to 600,000 h) at a temperature regime from 300 to 900 °C. This study discusses the effect of dislocation density and difusion coefficients on the precipitation kinetics at low temperatures, which shed a light on investigating the phase stability and transformation in austenitic steels used in light water reactors.

  14. Titan : A new facility for ultraclean sampling of trace elements and isotopes in the deep oceans in the international Geotraces program

    NARCIS (Netherlands)

    de Baar, H.J.W.; Timmermans, K.R; Laan, P.; De Porto, H.H.; Ober, S.; Blom, J.J.; Bakker, M.C.; Schilling, J; Sarthou, G.; Smit, M. G.; Klunder, M

    2008-01-01

    Towards more rapid ultraclean sampling of deep ocean waters for trace elements, a novel rectangular frame was constructed of titanium, holding two rows of 12 samplers, as well as various sensors. The frame is deployed to deep ocean waters by an 8000 m length Kevlar wire with internal power and

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

    CERN Document Server

    Angus, S; De Reuck, K M

    2013-01-01

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

  16. Thermodynamic properties of organic compounds estimation methods, principles and practice

    CERN Document Server

    Janz, George J

    1967-01-01

    Thermodynamic Properties of Organic Compounds: Estimation Methods, Principles and Practice, Revised Edition focuses on the progression of practical methods in computing the thermodynamic characteristics of organic compounds. Divided into two parts with eight chapters, the book concentrates first on the methods of estimation. Topics presented are statistical and combined thermodynamic functions; free energy change and equilibrium conversions; and estimation of thermodynamic properties. The next discussions focus on the thermodynamic properties of simple polyatomic systems by statistical the

  17. A prospective evaluation of the safety and efficacy of the TAXUS Element paclitaxel-eluting coronary stent system for the treatment of de novo coronary artery lesions: Design and statistical methods of the PERSEUS clinical program

    Directory of Open Access Journals (Sweden)

    Wehrenberg Scott

    2010-01-01

    Full Text Available Abstract Background Paclitaxel-eluting stents decrease angiographic and clinical restenosis following percutaneous coronary intervention compared to bare metal stents. TAXUS Element is a third-generation paclitaxel-eluting stent which incorporates a novel, thinner-strut, platinum-enriched metal alloy platform. The stent is intended to have enhanced radiopacity and improved deliverability compared to other paclitaxel-eluting stents. The safety and efficacy of the TAXUS Element stent are being evaluated in the pivotal PERSEUS clinical trials. Methods/Design The PERSEUS trials include two parallel studies of the TAXUS Element stent in single, de novo coronary atherosclerotic lesions. The PERSEUS Workhorse study is a prospective, randomized (3:1, single-blind, non-inferiority trial in subjects with lesion length ≤28 mm and vessel diameter ≥2.75 mm to ≤4.0 mm which compares TAXUS Element to the TAXUS Express2 paclitaxel-eluting stent system. The Workhorse study employs a novel Bayesian statistical approach that uses prior information to limit the number of study subjects exposed to the investigational device and thus provide a safer and more efficient analysis of the TAXUS Element stent. PERSEUS Small Vessel is a prospective, single-arm, superiority trial in subjects with lesion length ≤20 mm and vessel diameter ≥2.25 mm to Discussion The TAXUS PERSEUS clinical trial program uses a novel statistical approach to evaluate whether design and metal alloy iterations in the TAXUS Element stent platform provide comparable safety and improved procedural performance compared to the previous generation Express stent. PERSEUS trial enrollment is complete and primary endpoint data are expected in 2010. PERSEUS Workhorse and Small Vessel are registered at http://www.clinicaltrials.gov, identification numbers NCT00484315 and NCT00489541.

  18. Thermodynamic properties of pulverized coal during rapid heating devolatilization processes

    Energy Technology Data Exchange (ETDEWEB)

    Proscia, W.M.; Freihaut, J.D. [United Technologies Research Center, E. Hartford, CT (United States); Rastogi, S.; Klinzing, G.E. [Univ. of Pittsburg, PA (United States)

    1994-07-01

    The thermodynamic properties of coal under conditions of rapid heating have been determined using a combination of UTRC facilities including a proprietary rapid heating rate differential thermal analyzer (RHR-DTA), a microbomb calorimeter (MBC), an entrained flow reactor (EFR), an elemental analyzer (EA), and a FT-IR. The total heat of devolatilization, was measured for a HVA bituminous coal (PSOC 1451D, Pittsburgh No. 8) and a LV bituminous coal (PSOC 1516D, Lower Kittaning). For the HVA coal, the contributions of each of the following components to the overall heat of devolatilization were measured: the specific heat of coal/char during devolatilization, the heat of thermal decomposition of the coal, the specific heat capacity of tars, and the heat of vaporization of tars. Morphological characterization of coal and char samples was performed at the University of Pittsburgh using a PC-based image analysis system, BET apparatus, helium pcynometer, and mercury porosimeter. The bulk density, true density, CO{sub 2} surface area, pore volume distribution, and particle size distribution as a function of extent of reaction are reported for both the HVA and LV coal. Analyses of the data were performed to obtain the fractal dimension of the particles as well as estimates for the external surface area. The morphological data together with the thermodynamic data obtained in this investigation provides a complete database for a set of common, well characterized coal and char samples. This database can be used to improve the prediction of particle temperatures in coal devolatilization models. Such models are used both to obtain kinetic rates from fundamental studies and in predicting furnace performance with comprehensive coal combustion codes. Recommendations for heat capacity functions and heats of devolatilization for the HVA and LV coals are given. Results of sample particle temperature calculations using the recommended thermodynamic properties are provided.

  19. Finite element methods for engineers

    CERN Document Server

    Fenner, Roger T

    2013-01-01

    This book is intended as a textbook providing a deliberately simple introduction to finite element methods in a way that should be readily understandable to engineers, both students and practising professionals. Only the very simplest elements are considered, mainly two dimensional three-noded “constant strain triangles”, with simple linear variation of the relevant variables. Chapters of the book deal with structural problems (beams), classification of a broad range of engineering into harmonic and biharmonic types, finite element analysis of harmonic problems, and finite element analysis of biharmonic problems (plane stress and plane strain). Full Fortran programs are listed and explained in detail, and a range of practical problems solved in the text. Despite being somewhat unfashionable for general programming purposes, the Fortran language remains very widely used in engineering. The programs listed, which were originally developed for use on mainframe computers, have been thoroughly updated for use ...

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

    NARCIS (Netherlands)

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

    1982-01-01

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

  1. Nonequilibrium Thermodynamics in Biological Systems

    Science.gov (United States)

    Aoki, I.

    2005-12-01

    1. Respiration Oxygen-uptake by respiration in organisms decomposes macromolecules such as carbohydrate, protein and lipid and liberates chemical energy of high quality, which is then used to chemical reactions and motions of matter in organisms to support lively order in structure and function in organisms. Finally, this chemical energy becomes heat energy of low quality and is discarded to the outside (dissipation function). Accompanying this heat energy, entropy production which inevitably occurs by irreversibility also is discarded to the outside. Dissipation function and entropy production are estimated from data of respiration. 2. Human body From the observed data of respiration (oxygen absorption), the entropy production in human body can be estimated. Entropy production from 0 to 75 years old human has been obtained, and extrapolated to fertilized egg (beginning of human life) and to 120 years old (maximum period of human life). Entropy production show characteristic behavior in human life span : early rapid increase in short growing phase and later slow decrease in long aging phase. It is proposed that this tendency is ubiquitous and constitutes a Principle of Organization in complex biotic systems. 3. Ecological communities From the data of respiration of eighteen aquatic communities, specific (i.e. per biomass) entropy productions are obtained. They show two phase character with respect to trophic diversity : early increase and later decrease with the increase of trophic diversity. The trophic diversity in these aquatic ecosystems is shown to be positively correlated with the degree of eutrophication, and the degree of eutrophication is an "arrow of time" in the hierarchy of aquatic ecosystems. Hence specific entropy production has the two phase: early increase and later decrease with time. 4. Entropy principle for living systems The Second Law of Thermodynamics has been expressed as follows. 1) In isolated systems, entropy increases with time and

  2. Identifying and Leveraging Trust as a Key Element in the Development, Implementation and Sustainment of the Salt Lake City Fire Department’s Intelligence Program

    Science.gov (United States)

    2014-09-01

    Disentanglement and Protest Deterrence Training, which consisted of didactic and tactical training programs and had built several working relationships with...This program also includes joint training, both didactic and tactile, taking this network development to a higher level by improving the mutual...the book , From Good to Great, Jim Collins wrote a chapter called, First Who…Then What.152 The significant finding of his research on the core of

  3. Initial inclusion of thermodynamic considerations in Kayenta.

    Energy Technology Data Exchange (ETDEWEB)

    Brannon, Rebecca Moss (University of Utah, Salt Lake City, UT); Bishop, Joseph E.; Fuller, Timothy J. (University of Utah, Salt Lake City, UT); Strack, Otto Eric

    2010-07-01

    A persistent challenge in simulating damage of natural geological materials, as well as rock-like engineered materials, is the development of efficient and accurate constitutive models. The common feature for these brittle and quasi-brittle materials are the presence of flaws such as porosity and network of microcracks. The desired models need to be able to predict the material responses over a wide range of porosities and strain rate. Kayenta (formerly called the Sandia GeoModel) is a unified general-purpose constitutive model that strikes a balance between first-principles micromechanics and phenomenological or semi-empirical modeling strategies. However, despite its sophistication and ability to reduce to several classical plasticity theories, Kayenta is incapable of modeling deformation of ductile materials in which deformation is dominated by dislocation generation and movement which can lead to significant heating. This stems from Kayenta's roots as a geological model, where heating due to inelastic deformation is often neglected or presumed to be incorporated implicitly through the elastic moduli. The sophistication of Kayenta and its large set of extensive features, however, make Kayenta an attractive candidate model to which thermal effects can be added. This report outlines the initial work in doing just that, extending the capabilities of Kayenta to include deformation of ductile materials, for which thermal effects cannot be neglected. Thermal effects are included based on an assumption of adiabatic loading by computing the bulk and thermal responses of the material with the Kerley Mie-Grueneisen equation of state and adjusting the yield surface according to the updated thermal state. This new version of Kayenta, referred to as Thermo-Kayenta throughout this report, is capable of reducing to classical Johnson-Cook plasticity in special case single element simulations and has been used to obtain reasonable results in more complicated Taylor impact

  4. The second laws of quantum thermodynamics.

    Science.gov (United States)

    Brandão, Fernando; Horodecki, Michał; Ng, Nelly; Oppenheim, Jonathan; Wehner, Stephanie

    2015-03-17

    The second law of thermodynamics places constraints on state transformations. It applies to systems composed of many particles, however, we are seeing that one can formulate laws of thermodynamics when only a small number of particles are interacting with a heat bath. Is there a second law of thermodynamics in this regime? Here, we find that for processes which are approximately cyclic, the second law for microscopic systems takes on a different form compared to the macroscopic scale, imposing not just one constraint on state transformations, but an entire family of constraints. We find a family of free energies which generalize the traditional one, and show that they can never increase. The ordinary second law relates to one of these, with the remainder imposing additional constraints on thermodynamic transitions. We find three regimes which determine which family of second laws govern state transitions, depending on how cyclic the process is. In one regime one can cause an apparent violation of the usual second law, through a process of embezzling work from a large system which remains arbitrarily close to its original state. These second laws are relevant for small systems, and also apply to individual macroscopic systems interacting via long-range interactions. By making precise the definition of thermal operations, the laws of thermodynamics are unified in this framework, with the first law defining the class of operations, the zeroth law emerging as an equivalence relation between thermal states, and the remaining laws being monotonicity of our generalized free energies.

  5. Thermodynamics Optimizes the Physiology of Life

    Directory of Open Access Journals (Sweden)

    Gladyshev Georgi

    2014-04-01

    Full Text Available Thermodynamics serves as a basis for optimal solutions of the tasks of physiology, which are solved by organisms in the characteristic process of life: evolution, development, homeostasis, and adaptation. It is stated that the quasiequilibrium thermodynamics of quasiclosed complex systems serves as an impetus of evolution, functions, and activities of all levels of biological systems’ organization.This fact predetermines the use of Gibbs’ methods and leads to a hierarchical thermodynamics in all spheres of physiology. The interaction of structurally related levels and sub-levels of biological systems is determined by the thermodynamic principle of substance stability. Thus, life is accompanied by a thermodynamic optimization of physiological functions of biological systems. Living matter, while functioning and evolving, seeks the minimum of specific Gibbs free energy of structure formation at all levels. The spontaneous search of this minimum takes place with participation of not only spontaneous, but also non-spontaneous processes, initiated by the surrounding environment. The hormone optimization of the treatment of various pathologies, presented by Dr. Sergey A. Dzugan et al. demonstrates the effectiveness of their innovative medical approach.

  6. Thermodynamics of Fluids Under Flow Second Edition

    CERN Document Server

    Jou, David; Criado-Sancho, Manuel

    2011-01-01

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

  7. Thermodynamic data-base for metal fluorides

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-05-01

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

  8. Elementary statistical thermodynamics a problems approach

    CERN Document Server

    Smith, Norman O

    1982-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-09-01

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

  10. Mass and Heat Diffusion in Ternary Polymer Solutions: A Classical Irreversible Thermodynamics Approach

    CERN Document Server

    Es-haghi, S Shams

    2016-01-01

    Governing equations for evolution of concentration and temperature in three-component systems were derived in the framework of classical irreversible thermodynamics using Onsager variational principle and were presented for solvent/solvent/polymer and solvent/polymer/polymer systems. The derivation was developed from the Gibbs equation of equilibrium thermodynamics using the local equilibrium hypothesis, Onsager reciprocal relations and Prigogine theorem for systems in mechanical equilibrium. It was shown that the details of mass and heat diffusion phenomena in a ternary system are completely expressed by a 3x3 matrix whose entries are mass diffusion coefficients (4 entries), thermal diffusion coefficients (2 entries) and three entries that describe the evolution of heat in the system. The entries of the diffusion matrix are related to the elements of Onsager matrix that are bounded by some constraints to satisfy the positive definiteness of entropy production in the system. All the elements of diffusion matr...

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

    Science.gov (United States)

    Gladyshev, G P

    2014-01-01

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

  12. Integrating Computational Science Tools into a Thermodynamics Course

    Science.gov (United States)

    Vieira, Camilo; Magana, Alejandra J.; García, R. Edwin; Jana, Aniruddha; Krafcik, Matthew

    2018-01-01

    Computational tools and methods have permeated multiple science and engineering disciplines, because they enable scientists and engineers to process large amounts of data, represent abstract phenomena, and to model and simulate complex concepts. In order to prepare future engineers with the ability to use computational tools in the context of their disciplines, some universities have started to integrate these tools within core courses. This paper evaluates the effect of introducing three computational modules within a thermodynamics course on student disciplinary learning and self-beliefs about computation. The results suggest that using worked examples paired to computer simulations to implement these modules have a positive effect on (1) student disciplinary learning, (2) student perceived ability to do scientific computing, and (3) student perceived ability to do computer programming. These effects were identified regardless of the students' prior experiences with computer programming.

  13. Thermodynamic properties for polycyclic systems by non-calorimetric methods

    Energy Technology Data Exchange (ETDEWEB)

    Steele, W.V.; Chirico, R.D.; Klots, T.D.

    1993-03-01

    A detailed vibrational spectroscopic study of furan, pyrrole, and thiophene has been completed. These compounds form part of the base of five-membered ring systems on which the rest of the research program will be built Several methyl-substituted derivatives were also studied. The results will be used to confirm the model for alkyl- substitution in the ring systems. Gas-phase spectra and fundamental- frequency assignments were completed for 2,3- and 2,5-dihydrofuran. Those compounds initiate work on ring-puckering within the research program. A paper describing the need for third virial estimation, when using the virial equation of state to derive thermodynamic properties at pressures greater than 1 bar was completed.

  14. The thermodynamics of general and local anesthesia

    CERN Document Server

    Graesboll, Kaare; Heimburg, Thomas

    2014-01-01

    General anesthetics are known to cause depression of the freezing point of transitions in biomembranes. This is a consequence of ideal mixing of the anesthetic drugs in the membrane fluid phase and exclusion from the solid phase. Such a generic law provides physical justification of the famous Meyer-Overton rule. We show here that general anesthetics, barbiturates and local anesthetics all display the same effect on melting transitions. Their effect is reversed by hydrostatic pressure. Thus, the thermodynamic behavior of local anesthetics is very similar to that of general anesthetics. We present a detailed thermodynamic analysis of heat capacity profiles of membranes in the presence of anesthetics. This analysis is able to describe experimentally observed calorimetric profiles and permits prediction of the anesthetic features of arbitrary molecules. In addition, we discuss the thermodynamic origin of the cutoff-effect of long-chain alcohols and the additivity of the effect of general and local anesthetics.

  15. Numerical study of the thermodynamics of clinoatacamite

    Science.gov (United States)

    Khatami, Ehsan; Helton, Joel S.; Rigol, Marcos

    2012-02-01

    We study the thermodynamic properties of the clinoatacamite compound, Cu2(OH)3Cl, by considering several approximate models. They include the Heisenberg model on (i) the uniform pyrochlore lattice, (ii) a very anisotropic pyrochlore lattice, and (iii) a kagome lattice weakly coupled to spins that sit on a triangular lattice. We utilize the exact diagonalization of small clusters with periodic boundary conditions and implement a numerical linked-cluster expansion approach for quantum lattice models with reduced symmetries, which allows us to solve model (iii) in the thermodynamic limit. We find a very good agreement between the experimental uniform susceptibility and the numerical results for models (ii) and (iii), which suggests a weak ferromagnetic coupling between the kagome and triangular layers in clinoatacamite. We also study thermodynamic properties in a geometrical transition between a planar pyrochlore lattice and the kagome lattice.

  16. Industrial Requirements for Thermodynamics and Transport Properties

    DEFF Research Database (Denmark)

    Hendriks, Eric; Kontogeorgis, Georgios; Dohrn, Ralf

    2010-01-01

    . The main results are as follows. There is (still) an acute need for accurate, reliable, and thermodynamically consistent experimental data. Quality is more important than quantity. Similarly, there is a great need for reliable predictive, rather than correlative, models covering a wide range...... of compositions, temperatures, and pressures and capable of predicting primary (phase equilibrium) and secondary (enthalpy, heat capacity, etc.) properties. It is clear that the ideal of a single model covering all requirements is not achievable, but there is a consensus that this ideal should still provide...... reactive systems (simultaneous chemical and physical equilibrium). Education in thermodynamics is perceived as key, for the future application of thermodynamics in the industry. A number of suggestions for improvement were made at all three levels (undergraduate, postgraduate, and professional development...

  17. Stochastic Thermodynamics: A Dynamical Systems Approach

    Directory of Open Access Journals (Sweden)

    Tanmay Rajpurohit

    2017-12-01

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

  18. Relativistic Thermodynamics: A Modern 4-Vector Approach

    Directory of Open Access Journals (Sweden)

    J. Güémez

    2011-01-01

    Full Text Available Using the Minkowski relativistic 4-vector formalism, based on Einstein's equation, and the relativistic thermodynamics asynchronous formulation (Grøn (1973, the isothermal compression of an ideal gas is analyzed, considering an electromagnetic origin for forces applied to it. This treatment is similar to the description previously developed by Van Kampen (van Kampen (1969 and Hamity (Hamity (1969. In this relativistic framework Mechanics and Thermodynamics merge in the first law of relativistic thermodynamics expressed, using 4-vector notation, such as ΔUμ  =  Wμ  +  Qμ, in Lorentz covariant formulation, which, with the covariant formalism for electromagnetic forces, constitutes a complete Lorentz covariant formulation for classical physics.

  19. Maximal temperature in a simple thermodynamical system

    Science.gov (United States)

    Dai, De-Chang; Stojkovic, Dejan

    2016-06-01

    Temperature in a simple thermodynamical system is not limited from above. It is also widely believed that it does not make sense talking about temperatures higher than the Planck temperature in the absence of the full theory of quantum gravity. Here, we demonstrate that there exist a maximal achievable temperature in a system where particles obey the laws of quantum mechanics and classical gravity before we reach the realm of quantum gravity. Namely, if two particles with a given center of mass energy come at the distance shorter than the Schwarzschild diameter apart, according to classical gravity they will form a black hole. It is possible to calculate that a simple thermodynamical system will be dominated by black holes at a critical temperature which is about three times lower than the Planck temperature. That represents the maximal achievable temperature in a simple thermodynamical system.

  20. The Thermodynamics of General and Local Anesthesia

    Science.gov (United States)

    Græsbøll, Kaare; Sasse-Middelhoff, Henrike; Heimburg, Thomas

    2014-05-01

    General anesthetics are known to cause depression of the freezing point of transitions in biomembranes. This is a consequence of ideal mixing of the anesthetic drugs in the membrane fluid phase and exclusion from the solid phase. Such a generic law provides physical justification of the famous Meyer-Overton rule. We show here that general anesthetics, barbiturates and local anesthetics all display the same effect on melting transitions. Their effect is reversed by hydrostatic pressure. Thus, the thermodynamic behavior of local anesthetics is very similar to that of general anesthetics. We present a detailed thermodynamic analysis of heat capacity profiles of membranes in the presence of anesthetics. This analysis is able to describe experimentally observed calorimetric profiles and permits prediction of the anesthetic features of arbitrary molecules. In addition, we discuss the thermodynamic origin of the cutoff-effect of long-chain alcohols and the additivity of the effect of general and local anesthetics.