Inference with minimal Gibbs free energy in information field theory.
Ensslin, Torsten A; Weig, Cornelius
2010-11-01
Non-linear and non-gaussian signal inference problems are difficult to tackle. Renormalization techniques permit us to construct good estimators for the posterior signal mean within information field theory (IFT), but the approximations and assumptions made are not very obvious. Here we introduce the simple concept of minimal Gibbs free energy to IFT, and show that previous renormalization results emerge naturally. They can be understood as being the gaussian approximation to the full posterior probability, which has maximal cross information with it. We derive optimized estimators for three applications, to illustrate the usage of the framework: (i) reconstruction of a log-normal signal from poissonian data with background counts and point spread function, as it is needed for gamma ray astronomy and for cosmography using photometric galaxy redshifts, (ii) inference of a gaussian signal with unknown spectrum, and (iii) inference of a poissonian log-normal signal with unknown spectrum, the combination of (i) and (ii). Finally we explain how gaussian knowledge states constructed by the minimal Gibbs free energy principle at different temperatures can be combined into a more accurate surrogate of the non-gaussian posterior.
W. L. Silva; Ribeiro,J. C. T.; E. F.da Costa Jr; A. O. S.da Costa
2008-01-01
The reduction efficiency is an important variable during the black liquor burning process in the Kraft recovery boiler. This variable value is obtained by slow experimental routines and the delay of this measure disturbs the pulp and paper industry customary control. This paper describes an optimization approach for the reduction efficiency determination in the furnace bottom of the recovery boiler based on the minimization of the Gibbs free energy. The industrial data used in this study were...
W. L. Silva
2008-09-01
Full Text Available The reduction efficiency is an important variable during the black liquor burning process in the Kraft recovery boiler. This variable value is obtained by slow experimental routines and the delay of this measure disturbs the pulp and paper industry customary control. This paper describes an optimization approach for the reduction efficiency determination in the furnace bottom of the recovery boiler based on the minimization of the Gibbs free energy. The industrial data used in this study were directly obtained from CENIBRA's data acquisition system. The resulting approach is able to predict the steady state behavior of the chemical composition of the furnace recovery boiler, - especially the reduction efficiency when different operational conditions are used. This result confirms the potential of this approach in the analysis of the daily operation of the recovery boiler.
Felmy, A.R.
1990-04-01
This document is a user's manual and technical reference for the computerized chemical equilibrium model GMIN. GMIN calculates the chemical composition of systems composed of pure solid phases, solid-solution phases, gas phases, adsorbed phases, and the aqueous phase. In the aqueous phase model, the excess solution free energy is modeled by using the equations developed by PITZER and his coworkers, which are valid to high ionic strengths. The Davies equation can also be used. Activity coefficients for nonideal soild-solution phases are calculated using parameters of polynomial expansion in mole fraction of the excess free energy of mixing. The free energy of adsorbed phase species is described by the triple-layer site-binding model. The mathematical algorithm incorporated into GMIN is based upon a constrained minimization of the Gibbs free energy. This algorithm is numerically stable and reliably converges to a free energy minimum. The data base for GMIN contains all standard chemical potentials and Pitzer ion-interaction parameters necessary to model the system Na-K-Ca-Mg-H-Cl-SO{sub 4}-CO{sub 2}-B(OH){sub 4}-H{sub 2}0 at 25{degrees}C.
A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace
Kruskopf, Ari; Visuri, Ville-Valtteri
2017-08-01
In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag, and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.
Behzad Nematollahi; Mehran Rezaei; Ebrahim Nemati Lay; Majid Khajenoori
2012-01-01
Thermodynamic analysis was applied to study combined partial oxidation and carbon dioxide reforming of methane in view of carbon for-mation.The equilibrium calculations employing the Gibbs energy minimization were performed upon wide ranges of pressure (1-25 atm),temperature (600-1300 K),carbon dioxide to methane ratio (0-2) and oxygen to methane ratio (0-1).The thermodynamic results were compared with the results obtained over a Ru supported catalyst.The results revealed that by increasing the reaction pressure methane conversion decreased.Also it was found that the atmospheric pressure is the preferable pressure for both dry reforming and partial oxidation of methane and increasing the temperature caused increases in both activity of carbon and conversion of methane.The results clearly showed that the addition of O2 to the feed mixture could lead to a reduction of carbon deposition.
HYOUNGJU YOON
2013-02-01
Full Text Available It is required that the pH of the sump solution should be above 7.0 to retain iodine in a liquid phase and be within the material compatibility constraints under LOCA condition of PWR. The pH of the sump solution can be determined by conventional chemical equilibrium constants or by the minimization of Gibbs free energy. The latter method developed as a computer code called SOLGASMIX-PV is more convenient than the former since various chemical components can be easily treated under LOCA conditions. In this study, SOLGASMIX-PV code was modified to accommodate the acidic and basic materials produced by radiolysis reactions and to calculate the pH of the sump solution. When the computed pH was compared with measured by the ORNL experiment to verify the reliability of the modified code, the error between two values was within 0.3 pH. Finally, two cases of calculation were performed for the SKN 3&4 and UCN 1&2. As results, pH of the sump solution for the SKN 3&4 was between 7.02 and 7.45, and for the UCN 1&2 plant between 8.07 and 9.41. Furthermore, it was found that the radiolysis reactions have insignificant effects on pH because the relative concentrations of HCl, HNO3, and Cs are very low.
Yoon, Hyoung Ju [Dept. of Nuclear Engineering, University of Kyunghee, Seoul (Korea, Republic of)
2013-02-15
It is required that the pH of the sump solution should be above 7.0 to retain iodine in a liquid phase and be within the material compatibility constraints under LOCA condition of PWR. The pH of the sump solution can be determined by conventional chemical equilibrium constants or by the minimization of Gibbs free energy. The latter method developed as a computer code called SOLGASMIX-PV is more convenient than the former since various chemical components can be easily treated under LOCA conditions. In this study, SOLGASMIX-PV code was modified to accommodate the acidic and basic materials produced by radiolysis reactions and to calculate the pH of the sump solution. When the computed pH was compared with measured by the ORNL experiment to verify the reliability of the modified code, the error between two values was within 0.3 pH. Finally, two cases of calculation were performed for the SKN 3 and 4 and UCN 1 and 2. As results, pH of the sump solution for the SKN 3 and 4 was between 7.02 and 7.45, and for the UCN 1 and 2 plant between 8.07 and 9.41. Furthermore, it was found that the radiolysis reactions have insignificant effects on pH because the relative concentrations of HCl, HNO3, and Cs are very low.
Lima da Silva, Aline; Müller, Iduvirges Lourdes
Solid oxide fuel cells (SOFCs) are very flexible, unlike other fuel cells. In principle, SOFCs can operate on almost any fuel. Currently much effort is invested in the development of SOFCs for portable applications operating directly on liquid fuels such as methanol and ethanol rather than hydrogen. However, there are very few publications dealing with the direct use of glycerol in SOFCs for portable systems. A recently published study shows that the performance achieved for an SOFC fueled by pure glycerol is quite interesting even when there is a thick electrolyte membrane, indicating that glycerol is a promising fuel for portable applications. For this reason a thermodynamic analysis for SOFCs operating directly on glycerol fuel is performed in the present study. The Gibbs energy minimization method computes the equilibrium compositions of the anode gas mixture, carbon deposition boundaries and electromotive forces (EMFs) as a function of fuel utilization and temperature. Moreover, the minimum amounts of H 2O, CO 2 (direct internal reforming case) and air (partial oxidation case) to be added to glycerol in the feedstock to avoid carbon deposition at the open circuit voltage (OCV) are calculated. Finally, a thermodynamic analysis is performed, taking into account the experimental conditions employed in a previous study. Experimental observations concerning carbon deposition in an SOFC operating on glycerol can be explained by the theoretical analysis developed in the present study. Additionally, the effect of mixed electronic-ionic conduction of the electrolyte on carbon deposition at the anode is discussed based on the thermodynamic analysis of the C-O system.
The combination of transformed and constrained Gibbs energies.
Blomberg, Peter B A; Koukkari, Pertti S
2009-08-01
Gibbs free energy is the thermodynamic potential representing the fundamental equation at constant temperature, pressure, and molar amounts. Transformed Gibbs energies are important for biochemical systems because the local concentrations within cell compartments cannot yet be determined accurately. The method of Constrained Gibbs Energies adds kinetic reaction extent limitations to the internal constraints of the system thus extending the range of applicability of equilibrium thermodynamics from predefined constraints to dynamic constraints, e.g., adding time-dependent constraints of irreversible chemical change. In this article, the implementation and use of Transformed Gibbs Energies in the Gibbs energy minimization framework is demonstrated with educational examples. The combined method has the advantage of being able to calculate transient thermodynamic properties during dynamic simulation.
Enzyme Catalysis and the Gibbs Energy
Ault, Addison
2009-01-01
Gibbs-energy profiles are often introduced during the first semester of organic chemistry, but are less often presented in connection with enzyme-catalyzed reactions. In this article I show how the Gibbs-energy profile corresponds to the characteristic kinetics of a simple enzyme-catalyzed reaction. (Contains 1 figure and 1 note.)
Enzyme Catalysis and the Gibbs Energy
Ault, Addison
2009-01-01
Gibbs-energy profiles are often introduced during the first semester of organic chemistry, but are less often presented in connection with enzyme-catalyzed reactions. In this article I show how the Gibbs-energy profile corresponds to the characteristic kinetics of a simple enzyme-catalyzed reaction. (Contains 1 figure and 1 note.)
Illustrating Enzyme Inhibition Using Gibbs Energy Profiles
Bearne, Stephen L.
2012-01-01
Gibbs energy profiles have great utility as teaching and learning tools because they present students with a visual representation of the energy changes that occur during enzyme catalysis. Unfortunately, most textbooks divorce discussions of traditional kinetic topics, such as enzyme inhibition, from discussions of these same topics in terms of…
Gibbs free energy assisted passivation layers
Salihoglu, Omer; Tansel, T.; Hostut, M.; Ergun, Y.; Aydinli, A.
2016-05-01
Reduction of surface leakage is a major challenge in most photodetectors that requires the elimination of surface oxides on etched mesas during passivation. Engineering the passivation requires close attention to chemical reactions that take place at the interface during the process. In particular, removal of surface oxides may be controlled via Gibbs reactivity. We have compared electrical performance of type-II superlattice photodetectors, designed for MWIR operation, passivated by different passivation techniques. We have used ALD deposited Al2O3, HfO2, TiO2, ZnO, PECVD deposited SiO2, Si3N4 and sulphur containing octadecanethiol (ODT) selfassembled monolayers (SAM) passivation layers on InAs/GaSb p-i-n superlattice photodetectors with cutoff wavelength at 5.1 μm. In this work, we have compared the result of different passivation techniques which are done under same conditions, same epitaxial structure and same fabrication processes. We have found that ALD deposited passivation is directly related to the Gibbs free energy of the passivation material. Gibbs free energies of the passivation layer can directly be compared with native surface oxides to check the effectiveness of the passivation layer before the experimental study.
First-Year University Chemistry Textbooks' Misrepresentation of Gibbs Energy
Quilez, Juan
2012-01-01
This study analyzes the misrepresentation of Gibbs energy by college chemistry textbooks. The article reports the way first-year university chemistry textbooks handle the concepts of spontaneity and equilibrium. Problems with terminology are found; confusion arises in the meaning given to [delta]G, [delta][subscript r]G, [delta]G[degrees], and…
First-Year University Chemistry Textbooks' Misrepresentation of Gibbs Energy
Quilez, Juan
2012-01-01
This study analyzes the misrepresentation of Gibbs energy by college chemistry textbooks. The article reports the way first-year university chemistry textbooks handle the concepts of spontaneity and equilibrium. Problems with terminology are found; confusion arises in the meaning given to [delta]G, [delta][subscript r]G, [delta]G[degrees], and…
Consistent estimation of Gibbs energy using component contributions.
Noor, Elad; Haraldsdóttir, Hulda S; Milo, Ron; Fleming, Ronan M T
2013-01-01
Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contribution methods greatly increase coverage, albeit at the price of decreased precision. We present here a way to combine the estimations of group contribution with the more accurate reactant contributions by decomposing each reaction into two parts and applying one of the methods on each of them. This method gives priority to the reactant contributions over group contributions while guaranteeing that all estimations will be consistent, i.e. will not violate the first law of thermodynamics. We show that there is a significant increase in the accuracy of our estimations compared to standard group contribution. Specifically, our cross-validation results show an 80% reduction in the median absolute residual for reactions that can be derived by reactant contributions only. We provide the full framework and source code for deriving estimates of standard reaction Gibbs energy, as well as confidence intervals, and believe this will facilitate the wide use of thermodynamic data for a better understanding of metabolism.
Consistent estimation of Gibbs energy using component contributions.
Elad Noor
Full Text Available Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contribution methods greatly increase coverage, albeit at the price of decreased precision. We present here a way to combine the estimations of group contribution with the more accurate reactant contributions by decomposing each reaction into two parts and applying one of the methods on each of them. This method gives priority to the reactant contributions over group contributions while guaranteeing that all estimations will be consistent, i.e. will not violate the first law of thermodynamics. We show that there is a significant increase in the accuracy of our estimations compared to standard group contribution. Specifically, our cross-validation results show an 80% reduction in the median absolute residual for reactions that can be derived by reactant contributions only. We provide the full framework and source code for deriving estimates of standard reaction Gibbs energy, as well as confidence intervals, and believe this will facilitate the wide use of thermodynamic data for a better understanding of metabolism.
Illustrating the Effect of pH on Enzyme Activity Using Gibbs Energy Profiles
Bearne, Stephen L.
2014-01-01
Gibbs energy profiles provide students with a visual representation of the energy changes that occur during enzyme catalysis, making such profiles useful as teaching and learning tools. Traditional kinetic topics, such as the effect of pH on enzyme activity, are often not discussed in terms of Gibbs energy profiles. Herein, the symbolism of Gibbs…
Illustrating the Effect of pH on Enzyme Activity Using Gibbs Energy Profiles
Bearne, Stephen L.
2014-01-01
Gibbs energy profiles provide students with a visual representation of the energy changes that occur during enzyme catalysis, making such profiles useful as teaching and learning tools. Traditional kinetic topics, such as the effect of pH on enzyme activity, are often not discussed in terms of Gibbs energy profiles. Herein, the symbolism of Gibbs…
Gibbs energy of formation of cobalt divanadium tetroxide
Jacob, K. T.; Pandit, S. Shashidhara
1985-11-01
The Gibbs energy of formation of V 2O 3-saturated spinel CoV 2O 4 has been measured in the temperature range 900-1700 K using a solid state galvanic cell, which can be represented as Pt, Co + CoV 2O 4 + {V2O3}/{(CaO)}{ZrO2}/{Co} + CoO, Pt. The standard free energy of formation of cobalt vanadite from component oxides can be represented as CoO (rs) + V 2O 3 (cor) → CoV 2O 4 (sp), ΔG° = -30,125 - 5.06 T (± 150) J mole -1. Cation mixing on crystallographically nonequivalent sites of the spinel is responsible for the decrease in free energy with increasing temperature. A correlation between "second law" entropies of formation of cubic 2-3 spinels from component oxides with rock salt and corundum structures and cation distribution is presented. Based on the information obtained in this study and trends in the stability of aluminate and chromite spinels, it can be deduced that copper vanadite is unstable.
Bozlee, Brian J.
2007-01-01
The impact of raising Gibbs energy of the enzyme-substrate complex (G[subscript 3]) and the reformulation of the Michaelis-Menten equation are discussed. The maximum velocity of the reaction (v[subscript m]) and characteristic constant for the enzyme (K[subscript M]) will increase with increase in Gibbs energy, indicating that the rate of reaction…
Determination of Gibbs energies of formation in aqueous solution using chemical engineering tools.
Toure, Oumar; Dussap, Claude-Gilles
2016-08-01
Standard Gibbs energies of formation are of primary importance in the field of biothermodynamics. In the absence of any directly measured values, thermodynamic calculations are required to determine the missing data. For several biochemical species, this study shows that the knowledge of the standard Gibbs energy of formation of the pure compounds (in the gaseous, solid or liquid states) enables to determine the corresponding standard Gibbs energies of formation in aqueous solutions. To do so, using chemical engineering tools (thermodynamic tables and a model enabling to predict activity coefficients, solvation Gibbs energies and pKa data), it becomes possible to determine the partial chemical potential of neutral and charged components in real metabolic conditions, even in concentrated mixtures.
Verotti Filho, C.; Costa, Glória Meyberg Nunes
1996-01-01
p. 351–355 Solubilities of several organic solids in four supercritical fluids are calculated with Soave and Peng-Robinson equations of state, incorporating excess Gibbs free energy into the mixing rules, with Heidemann-Kokal, Wong-Sandler and MHV2 procedures. Three excess Gibbs free energy models are used in the mixing rules: NRTL, UNiQUAC and UNIFAC. Furthermore, a comparison between these mixing rules and conventional two-binary-parameter form and modification of the excluded volume par...
Tuck, Adrian F
2017-08-24
There is no widely agreed definition of entropy, and consequently Gibbs energy, in open systems far from equilibrium. One recent approach has sought to formulate an entropy and Gibbs energy based on observed scale invariances in geophysical variables, particularly in atmospheric quantities, including the molecules constituting stratospheric chemistry. The Hamiltonian flux dynamics of energy in macroscopic open nonequilibrium systems maps to energy in equilibrium statistical thermodynamics, and corresponding equivalences of scale invariant variables with other relevant statistical mechanical variables such as entropy, Gibbs energy, and 1/(kBoltzmannT), are not just formally analogous but are also mappings. Three proof-of-concept representative examples from available adequate stratospheric chemistry observations-temperature, wind speed and ozone-are calculated, with the aim of applying these mappings and equivalences. Potential applications of the approach to scale invariant observations from the literature, involving scales from molecular through laboratory to astronomical, are considered. Theoretical support for the approach from the literature is discussed.
A Reaction Method for Estimating Gibbs Energy and Enthalpy of Formation of Complex Minerals
Li, Ruibing; Zhang, Tingan; Liu, Yan; Kuang, Shibo
2017-04-01
New and updated thermodynamic data for simple binary compounds are readily available from both experimental measurements and theoretical calculations. Based on these available data, an approach is proposed to predict Gibbs energies and enthalpies of formation for complex minerals of metallurgical, chemical, and other industrial importance. The approach assumes that complex minerals are formed from binary composite oxides, which in turn, are formed from individual pure oxides. The validity of this approach is examined by comparing the calculated values of Gibbs energies and enthalpies against the experimentally measured ones reported in literature. The results show that for typical complex minerals with available experimental data, the calculated results exhibit an average residual of 0.51 pct for Gibbs energies and 0.52 pct for enthalpies, compared to the experimental results. This new approach thus correlates well with experimental approaches and can be applied to most of the complex minerals.
ESTIMATION OF GIBBS FREE-ENERGIES OF FORMATION FOR POLYCHLORINATED-BIPHENYLS
HOLMES, DA; HARRISON, BK; DOLFING, J
1993-01-01
Gibbs free energies of formation for gas, subcooled liquid, and aqueous solution phases were estimated for all 209 polychlorinated biphenyl (PCB) congeners at 298.15 K and 100 000 Pa. A literature search was conducted to locate experimental data or predicted data for PCBs. Where other data were not
Electrochemical determination of Gibbs free energy of formation of magnesium ferrite
Ling Wang; Huizhu Zhou; Yanruo Hong; Girish M Kale
2007-01-01
The standard Gibbs free energy of formation of magnesium ferrite was determined by means of two types of solid state electrochemical cells: one using MgZr4(PO4)6 (MZP) as the solid electrolyte and the other using CaF2 as the solid electrolyte. The first cell was operated in the range of 950 to 1100 K. The second cell was operated in the range of 1125 to 1200 K. The reversibility of the cell EMFs was confirmed by microcoulometric titration. The Gibbs energy changes of magnesium ferrite relative to component oxides were calculated based on EMF measurements and are given by following expressions, respectively: △G(o)Ⅰ = -3579-15 T (J/mol) and △G(o)Ⅱ =6258-24.3 T (J/mol). The results obtained from two different cells are consistent with each other. The results also are in agreement with Rao's and Tretjakov's data in the measured temperature range. When the Gibbs free energies of formation of MgO and Fe2O3 were substituted in the reaction, the Gibbs free energies of formation of MgFe2O4 was obtained in two temperature ranges and the formations are shown as follows: △G(o)Ⅰ Formation = -1427394+360.5 T (J/mol) and △G(o)Ⅱ Formation = -1417557+351.2 T (J/mol).
Estimates of Gibbs free energies of formation of chlorinated aliphatic compounds
Dolfing, Jan; Janssen, Dick B.
1994-01-01
The Gibbs free energy of formation of chlorinated aliphatic compounds was estimated with Mavrovouniotis' group contribution method. The group contribution of chlorine was estimated from the scarce data available on chlorinated aliphatics in the literature, and found to vary somewhat according to the
Experimental Determination of Third Derivative of the Gibbs Free Energy, G II
Koga, Yoshikata; Westh, Peter; Inaba, Akira
2010-01-01
We have been evaluating third derivative quantities of the Gibbs free energy, G, by graphically differentiating the second derivatives that are accessible experimentally, and demonstrated their power in elucidating the mixing schemes in aqueous solutions. Here we determine directly one of the third...
The Gibbs-free-energy landscape for the solute association in nanoconfined aqueous solutions
赵亮; 王春雷; 方海平; 涂育松
2015-01-01
The theoretical model and the numerical analyses on the Gibbs-free-energy of the association states of am-phiphilic molecules in nanoconfined aqueous solutions are presented in detail. We exhibit the continuous change of the Gibbs-free-energy trend, which plays a critical role in the association states of the system transforming from the dispersion state, through the “reversible state”, and finally to the aggregation state in amphiphilic molecule solutions. Furthermore, for the“reversible state”, we present the difference in the free-energy bar-rier heights of the dispersion state and aggregation state, resulting from the competition between the entropy, which makes the solute molecules evenly disperse in the solution and the energy contribution driving the am-phiphilic molecules to aggregate into a larger cluster. These findings provide a comprehensive understanding of confinement effects on the solute association processes in aqueous solutions and may further improve the techniques of material fabrication.
Minimizing the Gibbs-Thomson effect in the low-temperature plasma synthesis of thin Si nanowires
Mehdipour, H [Department of Physics, Faculty of Science, Sahand University of Technology, 51335-1996 Tabriz (Iran, Islamic Republic of); Ostrikov, K; Rider, A E; Furman, S A, E-mail: Amanda.Rider@csiro.au [Plasma Nanoscience Center Australia (PNCA), CSIRO Materials Science and Engineering, PO Box 218, Lindfield, New South Wales 2070 (Australia)
2011-08-05
An advanced combination of numerical models, including plasma sheath, ion- and radical-induced species creation and plasma heating effects on the surface and within a Au catalyst nanoparticle, is used to describe the catalyzed growth of Si nanowires in the sheath of a low-temperature and low-pressure plasma. These models have been used to explain the higher nanowire growth rates, low-energy barriers, much thinner Si nanowire nucleation and the less effective Gibbs-Thomson effect in reactive plasma processes, compared with those of neutral gas thermal processes. The effects of variation in the plasma sheath parameters and substrate potential on Si nanowire nucleation and growth have also been investigated. It is shown that increasing the plasma-related effects leads to decreases in the nucleation energy barrier and the critical nanoparticle radius, with the Gibbs-Thomson effect diminished, even at low temperatures. The results obtained are consistent with available experimental results and open a path toward the energy- and matter-efficient nucleation and growth of a broad range of one-dimensional quantum structures.
Minimizing the Gibbs-Thomson effect in the low-temperature plasma synthesis of thin Si nanowires
Mehdipour, H.; Ostrikov, K.; Rider, A. E.; Furman, S. A.
2011-08-01
An advanced combination of numerical models, including plasma sheath, ion- and radical-induced species creation and plasma heating effects on the surface and within a Au catalyst nanoparticle, is used to describe the catalyzed growth of Si nanowires in the sheath of a low-temperature and low-pressure plasma. These models have been used to explain the higher nanowire growth rates, low-energy barriers, much thinner Si nanowire nucleation and the less effective Gibbs-Thomson effect in reactive plasma processes, compared with those of neutral gas thermal processes. The effects of variation in the plasma sheath parameters and substrate potential on Si nanowire nucleation and growth have also been investigated. It is shown that increasing the plasma-related effects leads to decreases in the nucleation energy barrier and the critical nanoparticle radius, with the Gibbs-Thomson effect diminished, even at low temperatures. The results obtained are consistent with available experimental results and open a path toward the energy- and matter-efficient nucleation and growth of a broad range of one-dimensional quantum structures.
Gibbs energies of formation of the intermetallic compounds of U-Sn system
Pattanaik, Ashit K.; Kandan, R. [Fuel Chemistry Group, Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Nagarajan, K., E-mail: knag@igcar.gov.in [Fuel Chemistry Group, Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Vasudeva Rao, P.R. [Fuel Chemistry Group, Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India)
2013-02-25
Highlights: Black-Right-Pointing-Pointer Gibbs energies of formation of the intermetallic compounds, USn{sub 3}, U{sub 3}Sn{sub 7}, USn{sub 2} and USn were determined by using high temperature molten salt galvanic cell electromotive force method. Black-Right-Pointing-Pointer The Gibbs energies of formation of USn{sub 3}, U{sub 3}Sn{sub 7}, USn{sub 2} and USn with respect to {alpha}-U and liquid Sn, in the temperature range 682-905 K were determined to be -172.8 + 0.061 T, -527.8 + 0.200 T, -174.9 + 0.073 T and -176.9 + 0.064 T kJ mol{sup -1}, respectively. Black-Right-Pointing-Pointer Gibbs energy formation of the U{sub 3}Sn{sub 7}, USn{sub 2} and USn are being reported for the first time. - Abstract: Gibbs energies of formation of the intermetallic compounds, USn{sub 3}, U{sub 3}Sn{sub 7}, USn{sub 2}, and USn were determined by using high temperature molten salt galvanic cells: U(s)//UCl{sub 3} in LiCl-KCl (eutectic)//U-Sn alloy, where pure uranium was used as one of the electrodes and a two phase alloy of uranium and tin as the other. The two phase alloys used in cells I, II, III and IV as the electrodes were Left-Pointing-Angle-Bracket USn{sub 3} Right-Pointing-Angle-Bracket + {l_brace}Sn{r_brace}, Left-Pointing-Angle-Bracket U{sub 3}Sn{sub 7} + USn{sub 3} Right-Pointing-Angle-Bracket , Left-Pointing-Angle-Bracket USn{sub 2} + U{sub 3}Sn{sub 7} Right-Pointing-Angle-Bracket and Left-Pointing-Angle-Bracket USn + USn{sub 2} Right-Pointing-Angle-Bracket , respectively. The Gibbs energies of formation ({Delta}{sub f}G{sup 0}) of USn{sub 3}, U{sub 3}Sn{sub 7}, USn{sub 2} and USn with respect to {alpha}-U and liquid Sn, in the temperature range 682-905 K, were determined to be given by (table) The Gibbs energy of formation for U{sub 3}Sn{sub 7}, USn{sub 2} and USn have been obtained for the first time.
Estimation of Gibbs Free Energy of Formation of Sialon （O‘—and X—Phases
WENHongjine; LIWenchao
1999-01-01
Based on introducing the quasi-parabolid rule,which indicates the relation of Gibbs free energy of formation of compounds and its compostitions,the Gibbs free energes of formation of Sialons (O'-and X-phases) were estimated.
Calculation of electric field effects on the Gibbs free energy of the Al-Li-Mg alloy
无
2007-01-01
Based on the Thomas-Fermi model the calculation methods of the monatomic Gibbs free energy were found.The interior potential boundary condition under electric field was defined. The calculation methods of Gibbs free energy for the monatomic, compound, and solid solution with electric field were set up. Under the influence of electric field, the Gibbs free energy of A1 is the most sensitive, followed by those of Li and Mg. At the solution temperature the Gibbs free energies of Al3Li and its elements under electric field are not symmetrical about the zero point of electric field, whereas at the aging temperature their values are symmetrical about the zero point of electric field. At the solution temperature near the zero point of electric field, the Gibbs free energy of Al3Li is higher than that of Al-2.14%Li. And at 460 K the Gibbs free energy of A13Li is lower than that of Al-2.14wt.%Li under electric field. The Gibbs free energy of 1420 alloy decreases from both sides of electric field to the zero point at the aging temperature.
Direct measurements of the Gibbs free energy of OH using a CW tunable laser
Killinger, D. K.; Wang, C. C.
1979-01-01
The paper describes an absorption measurement for determining the Gibbs free energy of OH generated in a mixture of water and oxygen vapor. These measurements afford a direct verification of the accuracy of thermochemical data of H2O at high temperatures and pressures. The results indicate that values for the heat capacity of H2O obtained through numerical computations are correct within an experimental uncertainty of 0.15 cal/mole K.
Hellweg, Arnim
2016-01-01
The computational modelling of reactions is simple in theory but can be quite tricky in practice. This article aims at the purpose of providing an assistance to a proper way of describing reactions theoretically and provides rough guidelines to the computational methods involved. Reactions in liquid phase chemical equilibrium can be described theoretically in terms of the Gibbs free energy of reaction. This property can be divided into a sum of three disjunct terms, namely the gas phase reaction energy, the finite temperature contribution to the Gibbs free energy, and the Gibbs free energy of solvation. The three contributions to the Gibbs free energy of reaction can be computed separately, using different theoretico--chemical calculation methods. While some of these terms can be obtained reliably by computationally cheap methods, for others a high level of theory is required to obtain predictions of quantitative quality. In order to propose workflows which can strike the balance between accuracy and computat...
Hanson, Robert M.; Riley, Patrick; Schwinefus, Jeff; Fischer, Paul J.
2008-01-01
The use of qualitative graphs of Gibbs energy versus temperature is described in the context of chemical demonstrations involving phase changes and colligative properties at the general chemistry level. (Contains 5 figures and 1 note.)
Estimation of Gibbs free energy difference in Pd-based bulk metallic glasses
Cai Anhui; Xiong Xiang; Liu Yong; Tan JingYing; Zhou Yong; An Weike
2008-01-01
A new thermodynamic expression for Gibbs free energy difference 4G between the under-cooled Iiquid and the corresponding crystals of bulk metallic glasses was derived.The newly proposed expression always gives results in fairly good agreement with experimental values over entire temperature range between the fusion temperature Tm and the glass transition temperature Tg of Pd40Ni40P20,Pd40Cu30Ni10P20 and Pd43Cu27Ni10P20,which possess different heat capacities.However,the TS and KN expressions cannot always provide results in good agreement with the experimental values.In addition.the deviations between the experimental values and the △G calculated by the proposed expression at Tg are smaller than those given by other expressions for all the bulk metallic glasses studied.
Guodong Liu
2014-01-01
Full Text Available Soil drought, that can be enhanced by global warming increases ammonia (NH_{3} volatilization. This laboratory study was conducted with two soils: Krome Gravelly Loam (KGL from Florida and Warden Silt Loam (WSL from Washington State and two fertilizers: Ammonium sulfate [(NH_{4}_{2}SO_{4}] or ammonium nitrate (NH_{4}NO_{3}. Two water regimes including 20 and 80% Field Capacity (FC were used at 20°C which is the average temperature in the potato growing season in Washington State. The data demonstrated that variation in NH_{3} volatilization subject to different soil water regimes can be explained by changes in Gibbs free energy of Nitrogen (N fertilization in soils with varying water contents. The absolute values of Gibbs free energy of (NH_{4}_{2}SO_{4} or NH_{4}NO_{3} applied to soil at 20% FC soil water regime were 5-fold greater than at 80% FC. Accordingly, the equilibrium constant (K of deprotonation of ammonium ions in soil solutions at 20% FC was 3,000- or 50-fold greater than that at 80% FC for (NH_{4}_{2}SO_{4} or NH_{4}NO_{3}, respectively. Nitrogen loss via NH_{3} volatilization was 4-to 7-fold greater at 20% FC than that at 80% FC. This study suggests potential acceleration of NH_{3} volatilization from soils under drought. Therefore, optimal water management is critical to mitigate NH_{3} volatilization from agricultural soils.
Gibbs Free Energy and Activation Energy of ZrTiAlNiCuSn Bulk Glass Forming Alloys
Jianfei SUN; Jun SHEN; Zhenye ZHU; Gang WANG; Dawei XING; Yulai GAO; Bide ZHOU
2004-01-01
The Gibbs free energy differences between the supercooled liquid and the crystalline mixture for the (Zr52.5Ti5Al10- Ni14.6Cu17.9)(100-x)/100Snx ·(x=0, 1, 2, 3, 4 and 5) glass forming alloys are estimated by introducing the equation proposed by Thompson, Spaepen and Turnbull. It can be seen that the Gibbs free energy differences decrease first as the increases of Sn addition smaller than 3, then followed by a decrease due to the successive addition of Sn larger than 3, indicating that the thermal stabilities of these glass forming alloys increase first and then followed by a decrease owing to the excessive addition of Sn. Furthermore, the activation energy of Zr52.5Ti5Al10Ni14.6Cu17.9 and (Zr5 2.5Ti5 Al10 Ni14.6 Cu 17.9)0.97Sn3 was evaluated by Kissinger equation. It is noted that the Sn addition increases the activation energies for glass transition and crystallization, implying that the higher thermal stability can be obtained by appropriate addition of Sn.
Zhihua Wang
2017-05-01
Full Text Available Crude oil is generally produced with water, and the water cut produced by oil wells is increasingly common over their lifetime, so it is inevitable to create emulsions during oil production. However, the formation of emulsions presents a costly problem in surface process particularly, both in terms of transportation energy consumption and separation efficiency. To deal with the production and operational problems which are related to crude oil emulsions, especially to ensure the separation and transportation of crude oil-water systems, it is necessary to better understand the emulsification mechanism of crude oil under different conditions from the aspects of bulk and interfacial properties. The concept of shearing energy was introduced in this study to reveal the driving force for emulsification. The relationship between shearing stress in the flow field and interfacial tension (IFT was established, and the correlation between shearing energy and interfacial Gibbs free energy was developed. The potential of the developed correlation model was validated using the experimental and field data on emulsification behavior. It was also shown how droplet deformation could be predicted from a random deformation degree and orientation angle. The results indicated that shearing energy as the energy produced by shearing stress working in the flow field is the driving force activating the emulsification behavior. The deformation degree and orientation angle of dispersed phase droplet are associated with the interfacial properties, rheological properties and the experienced turbulence degree. The correlation between shearing stress and IFT can be quantified if droplet deformation degree vs. droplet orientation angle data is available. When the water cut is close to the inversion point of waxy crude oil emulsion, the interfacial Gibbs free energy change decreased and the shearing energy increased. This feature is also presented in the special regions where
Plyasunov, Andrey V.; Shock, Everett L.
2000-08-01
Experimental results of phase equilibria studies at elevated temperatures for more than twenty hydrocarbon-water systems were uniformly correlated within the framework of the Peng-Robinson-Stryjek-Vera equation of state in combination with simple mixing rules. This treatment allows evaluation of the Gibbs energy of hydration for many alkanes, 1-alkenes, cycloalkanes (derivatives of cyclohexane) and alkylbenzenes up to 623 K at saturated water vapor pressure and up to 573 K at 50 MPa. Results for homologous series show regular changes with increasing carbon number, and confirm the applicability of the group contribution approach to the Gibbs energy of hydration of hydrocarbons at elevated temperatures. The temperature dependence of group contributions to the Gibbs energy of hydration were determined for CH 3, CH 2, and CH in aliphatic hydrocarbons; C=C and H for alkenes; c-CH 2 and c-CH in cycloalkanes; and CH ar and C ar in alkylbenzenes (or aromatic hydrocarbons). Close agreement between calculated and experimental results suggests that this approach provides reasonable estimates of Gibbs energy of hydration for many alkanes, 1-alkenes, alkyl cyclohexanes and alkylbenzenes at temperatures up to 623 K and pressures up to 50 MPa.
Luetich, J J
2001-01-01
A comparison of three methods to write the Gibbs energy: the algebraic procedure to obtain the transformed composition variables introduced by Barbosa and Doherty, the classical non-stoichiometric formulation discussed by Smith and Missen, and the use of Legendre transformations suggested by Alberty. This paper is the second member of a tetralogy conceived to give insight into the concept of microscopic reversibility.
Ulstrup, Jens
1999-01-01
We discuss a simple model for the environmental reorganisation Gibbs free energy, E-r, in electron transfer between a metalloprotein and a small reaction partner. The protein is represented as a dielectric globule with low dielectric constant, the metal centres as conducting spheres, all embedded...
Gary, Ronald K.
2004-01-01
The concentration dependence of (delta)S term in the Gibbs free energy function is described in relation to its application to reversible reactions in biochemistry. An intuitive and non-mathematical argument for the concentration dependence of the (delta)S term in the Gibbs free energy equation is derived and the applicability of the equation to…
Symmetrization of excess Gibbs free energy: A simple model for binary liquid mixtures
Castellanos-Suarez, Aly J., E-mail: acastell@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of); Garcia-Sucre, Maximo, E-mail: mgs@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of)
2011-03-15
A symmetric expression for the excess Gibbs free energy of liquid binary mixtures is obtained using an appropriate definition for the effective contact fraction. We have identified a mechanism of local segregation as the main cause of the contact fraction variation with the concentration. Starting from this mechanism we develop a simple model for describing binary liquid mixtures. In this model two parameters appear: one adjustable, and the other parameter depending on the first one. Following this procedure we reproduce the experimental data of (liquid + vapor) equilibrium with a degree of accuracy comparable to well-known more elaborated models. The way in which we take into account the effective contacts between molecules allows identifying the compound which may be considered to induce one of the following processes: segregation, anti-segregation and dispersion of the components in the liquid mixture. Finally, the simplicity of the model allows one to obtain only one resulting interaction energy parameter, which makes easier the physical interpretation of the results.
Determining Knots by Minimizing Energy
Cai-Ming Zhang; Hui-Jian Han; Fuhua Frank Cheng
2006-01-01
A new method for determining knots to construct polynomial curves is presented. At each data point, a quadric curve which passes three consecutive points is constructed. The knots for constructing the quadric curve are determined by minimizing the internal strain energy, which can be regarded as a function of the angle. The function of the angle is expanded as a Taylor series with two terms, then the two knot intervals between the three consecutive points are defined by linear expression. Between the two consecutive points, there are two knot intervals, and the combination of the two knot intervals is used to define the final knot interval. A comparison of the new method with several existing methods is included.
Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation.
Zhang, Jin; Tuguldur, Badamkhatan; van der Spoel, David
2015-06-22
Quantitative prediction of physical properties of liquids is a longstanding goal of molecular simulation. Here, we evaluate the predictive power of the Generalized Amber Force Field (Wang et al. J. Comput. Chem. 2004, 25, 1157-1174) for the Gibbs energy of solvation of organic molecules in organic solvents using the thermodynamics integration (TI) method. The results are compared to experimental data, to a model based on quantitative structure property relations (QSPR), and to the conductor-like screening models for realistic solvation (COSMO-RS) model. Although the TI calculations yield slightly better correlation to experimental results than the other models, in all fairness we should conclude that the difference between the models is minor since both QSPR and COSMO-RS yield a slightly lower RMSD from that of the experiment (<3.5 kJ/mol). By analyzing which molecules (either as solvents or solutes) are outliers in the TI calculations, we can pinpoint where additional parametrization efforts are needed. For the force field based TI calculations, deviations from the experiment occur in particular when compounds containing nitro or ester groups are solvated into other liquids, suggesting that the interaction between these groups and solvents may be too strong. In the COSMO-RS calculations, outliers mainly occur when compounds containing (in particular aromatic) rings are solvated despite using a ring correction term in the calculations.
Phadke, Sushil; Darshan Shrivastava, Bhakt; Ujle, S. K.; Mishra, Ashutosh; Dagaonkar, N.
2014-09-01
One of the potential driving forces behind a chemical reaction is favourable a new quantity known as the Gibbs free energy (G) of the system, which reflects the balance between these forces. Ultrasonic velocity and absorption measurements in liquids and liquid mixtures find extensive application to study the nature of intermolecular forces. Ultrasonic velocity measurements have been successfully employed to detect weak and strong molecular interactions present in binary and ternary liquid mixtures. After measuring the density and ultrasonic velocity of aqueous solution of 'Borassus Flabellifier' BF and Adansonia digitata And, we calculated Gibb's energy and intermolecular free length. The velocity of ultrasonic waves was measured, using a multi-frequency ultrasonic interferometer with a high degree of accuracy operating Model M-84 by M/s Mittal Enterprises, New Delhi, at a fixed frequency of 2MHz. Natural sample 'Borassus Flabellifier' BF fruit pulp and Adansonia digitata AnD powder was collected from Dhar, District of MP, India for this study.
Kharkats, Yurij I.; Ulstrup, Jens
1999-04-01
We discuss a simple model for the environmental reorganisation Gibbs free energy, Er, in electron transfer between a metalloprotein and a small reaction partner. The protein is represented as a dielectric globule with low dielectric constant, the metal centres as conducting spheres, all embedded in a continuous solvent with high dielectric constant. This model has previously reproduced thermodynamic metalloprotein properties. Er takes an analytic form expressed by a continuous image charge distribution, and depends weakly on the globular radius, indicating that repolarisation at the globule/solvent interface contributes less to these effects than to the work terms and driving force.
Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy
Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.
1993-01-01
The heats of eutectic melting and devitrification, and the specific heats of the crystalline, glass, and liquid phases have been measured for a Ni24Zr76 alloy. The data are used to calculate the Gibbs free-energy difference, Delta G(AC), between the real glass and the crystal on an assumption that the liquid-glass transition is second order. The result shows that Delta G(AC) continuously increases as the temperature decreases in contrast to the ideal glass case where Delta G(AC) is assumed to be independent of temperature.
Dreier, Jens P.; Isele, Thomas; Reiffurth, Clemens; Offenhauser, Nikolas; Kirov, Sergei A.; Dahlem, Markus A.; Herreras, Oscar
2012-01-01
In the evolution of the cerebral cortex, the sophisticated organization in a steady state far away from thermodynamic equilibrium has produced the side effect of two fundamental pathological network events: ictal epileptic activity and spreading depolarization. Ictal epileptic activity describes the partial disruption, and spreading depolarization describes the near-complete disruption of the physiological double Gibbs–Donnan steady state. The occurrence of ictal epileptic activity in patients has been known for decades. Recently, unequivocal electrophysiological evidence has been found in patients that spreading depolarizations occur abundantly in stroke and brain trauma. The authors propose that the ion changes can be taken to estimate relative changes in Gibbs free energy from state to state. The calculations suggest that in transitions from the physiological state to ictal epileptic activity to spreading depolarization to death, the cortex releases Gibbs free energy in a stepwise fashion. Spreading depolarization thus appears as a twilight state close to death. Consistently, electrocorticographic recordings in the core of focal ischemia or after cardiac arrest display a smooth transition from the initial spreading depolarization component to the later ultraslow negative potential, which is assumed to reflect processes in cellular death. PMID:22829393
Harvey, J.-P.; Gheribi, A. E.; Chartrand, P.
2011-08-01
The design of multicomponent alloys used in different applications based on specific thermo-physical properties determined experimentally or predicted from theoretical calculations is of major importance in many engineering applications. A procedure based on Monte Carlo simulations (MCS) and the thermodynamic integration (TI) method to improve the quality of the predicted thermodynamic properties calculated from classical thermodynamic calculations is presented in this study. The Gibbs energy function of the liquid phase of the Cu-Zr system at 1800 K has been determined based on this approach. The internal structure of Cu-Zr melts and amorphous alloys at different temperatures, as well as other physical properties were also obtained from MCS in which the phase trajectory was modeled by the modified embedded atom model formalism. A rigorous comparison between available experimental data and simulated thermo-physical properties obtained from our MCS is presented in this work. The modified quasichemical model in the pair approximation was parameterized using the internal structure data obtained from our MCS and the precise Gibbs energy function calculated at 1800 K from the TI method. The predicted activity of copper in Cu-Zr melts at 1499 K obtained from our thermodynamic optimization was corroborated by experimental data found in the literature. The validity of the amplitude of the entropy of mixing obtained from the in silico procedure presented in this work was analyzed based on the thermodynamic description of hard sphere mixtures.
Linear embedding of free energy minimization
Moussa, Jonathan E
2016-01-01
Exact free energy minimization is a convex optimization problem that is usually approximated with stochastic sampling methods. Deterministic approximations have been less successful because many desirable properties have been difficult to attain. Such properties include the preservation of convexity, lower bounds on free energy, and applicability to systems without subsystem structure. We satisfy all of these properties by embedding free energy minimization into a linear program over energy-resolved expectation values. Numerical results on small systems are encouraging, but a lack of size consistency necessitates further development for large systems.
Gibbs free energy difference between the undercooled liquid and the beta phase of a Ti-Cr alloy
Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.
1992-01-01
The heat of fusion and the specific heats of the solid and liquid have been experimentally determined for a Ti60Cr40 alloy. The data are used to evaluate the Gibbs free energy difference, delta-G, between the liquid and the beta phase as a function of temperature to verify a reported spontaneous vitrification (SV) of the beta phase in Ti-Cr alloys. The results show that SV of an undistorted beta phase in the Ti60Cr40 alloy at 873 K is not feasible because delta-G is positive at the temperature. However, delta-G may become negative with additional excess free energy to the beta phase in the form of defects.
Naumov, Sergej; von Sonntag, Clemens
2011-11-01
Free radicals are common intermediates in the chemistry of ozone in aqueous solution. Their reactions with ozone have been probed by calculating the standard Gibbs free energies of such reactions using density functional theory (Jaguar 7.6 program). O(2) reacts fast and irreversibly only with simple carbon-centered radicals. In contrast, ozone also reacts irreversibly with conjugated carbon-centered radicals such as bisallylic (hydroxycylohexadienyl) radicals, with conjugated carbon/oxygen-centered radicals such as phenoxyl radicals, and even with nitrogen- oxygen-, sulfur-, and halogen-centered radicals. In these reactions, further ozone-reactive radicals are generated. Chain reactions may destroy ozone without giving rise to products other than O(2). This may be of importance when ozonation is used in pollution control, and reactions of free radicals with ozone have to be taken into account in modeling such processes.
Aspiala, M., E-mail: markus.aspiala@aalto.fi; Sukhomlinov, D., E-mail: dmitry.sukhomlinov@aalto.fi; Taskinen, P., E-mail: pekka.taskinen@aalto.fi
2013-12-10
Highlights: • An improved experimental apparatus and new data analysis method have been applied. • Galvanic cells including solid zirconia electrolyte were measured accurately. • Δ{sub f}G° values for TeO{sub 2} have been determined in wide temperature range. • Third law plots for S{sub 298}{sup °} and ΔH{sub 298}{sup °} of TeO{sub 2} were produced using the experimentally observed values. - Abstract: The standard Gibbs energy of formation of TeO{sub 2} in the temperature range 369–795 °C was measured by the EMF method involving solid-oxide electrolyte galvanic cells of the type: (−)Pt, Ir, Te(s, l), TeO{sub 2}(s, l)|YSZ|O{sub 2}, Pt(+), where YSZ denotes stabilized zirconia with 8.5 mass percent of yttrium oxide. The standard Gibbs energies of formation obtained from the above cells are linear functions of temperature as: Δ{sub f}G° (kJ/mol) = −317.09 + 0.180 T (K) ± 0.307 (642–722.15 K) both phasess are solid. Δ{sub f}G° (kJ/mol) = −318.01 + 0.181 T (K) ± 0.308 (722.15–1005.8 K) Te – liquid; TeO{sub 2} – solid. Δ{sub f}G° (kJ/mol) = −256.26 + 0.120 T (K) ± 0.226 (1005.8–1068 K) both phases are liquid.
Utility Constrained Energy Minimization In Aloha Networks
Khodaian, Amir Mahdi; Talebi, Mohammad S
2010-01-01
In this paper we consider the issue of energy efficiency in random access networks and show that optimizing transmission probabilities of nodes can enhance network performance in terms of energy consumption and fairness. First, we propose a heuristic power control method that improves throughput, and then we model the Utility Constrained Energy Minimization (UCEM) problem in which the utility constraint takes into account single and multi node performance. UCEM is modeled as a convex optimization problem and Sequential Quadratic Programming (SQP) is used to find optimal transmission probabilities. Numerical results show that our method can achieve fairness, reduce energy consumption and enhance lifetime of such networks.
DOLFING, J; HARRISON, BK
1992-01-01
The Gibbs free energies of formation of various classes of halogenated aromatic compounds were estimated with Benson's method. The data were used to evaluate the potential of these compounds to serve as electron acceptors in anaerobic environments. The results indicate that for (chloro) benzenes, be
DOLFING, J; HARRISON, BK
1992-01-01
The Gibbs free energies of formation of various classes of halogenated aromatic compounds were estimated with Benson's method. The data were used to evaluate the potential of these compounds to serve as electron acceptors in anaerobic environments. The results indicate that for (chloro) benzenes,
Albite feldspar dissolution kinetics as a function of the Gibbs free energy at high pCO_2
Hellmann, Roland; Tisserand, Delphine; Renard, François
2008-01-01
We are currently measuring the dissolution kinetics of albite feldspar at 100 deg C in the presence of high levels of dissolved CO_2 (pCO_2 = 9 MPa) as a function of the saturation state of the feldspar (Gibbs free energy of reaction, \\Delta G). The experiments are conducted using a flow through reactor, thereby allowing the dissolution reactions to occur at a fixed pH and at constant, but variable saturation states. Preliminary results indicate that at far-from-equilibrium conditions, the dissolution kinetics of albite are defined by a rate plateau, with R \\approx 5.0 x 10^{-10} mol m^{-2} s^{-1} at -70 -40 kJ mol^{-1}, the rates decrease sharply, revealing a strong inverse relation between the dissolution rate and free energy. Based on the experiments carried out to date, the dissolution rate-free energy data correspond to a highly non-linear and sigmoidal relation, in accord with recent studies.
Measurable Maximal Energy and Minimal Time Interval
Dahab, Eiman Abou El
2014-01-01
The possibility of finding the measurable maximal energy and the minimal time interval is discussed in different quantum aspects. It is found that the linear generalized uncertainty principle (GUP) approach gives a non-physical result. Based on large scale Schwarzshild solution, the quadratic GUP approach is utilized. The calculations are performed at the shortest distance, at which the general relativity is assumed to be a good approximation for the quantum gravity and at larger distances, as well. It is found that both maximal energy and minimal time have the order of the Planck time. Then, the uncertainties in both quantities are accordingly bounded. Some physical insights are addressed. Also, the implications on the physics of early Universe and on quantized mass are outlined. The results are related to the existence of finite cosmological constant and minimum mass (mass quanta).
Smooth GERBS, orthogonal systems and energy minimization
Dechevsky, Lubomir T.; Zanaty, Peter
2013-12-01
New results are obtained in three mutually related directions of the rapidly developing theory of generalized expo-rational B-splines (GERBS) [7, 6]: closed-form computability of C∞-smooth GERBS in terms of elementary and special functions, Hermite interpolation and least-squares best approximation via smooth GERBS, energy minimizing properties of smooth GERBS similar to those of the classical cubic polynomial B-splines.
Size fluctuations of near critical and Gibbs free energy for nucleation of BDA on Cu(001)
Schwarz, Daniel; van Gastel, Raoul; Zandvliet, Henricus J.W.; Poelsema, Bene
2012-01-01
We present a low-energy electron microscopy study of nucleation and growth of BDA on Cu(001) at low supersaturation. At sufficiently high coverage, a dilute BDA phase coexists with c(8×8) crystallites. The real-time microscopic information allows a direct visualization of near-critical nuclei,
Yamamoto, Hiroaki; Morishita, Masao; Yamamoto, Takeo; Furukawa, Kazuma
2011-02-01
The standard Gibbs energies of formation of Mo2B, αMoB, Mo2B5, and MoB4 in the molybdenum-boron binary system were determined by measuring electromotive forces of galvanic cells using an Y2O3-stabilized ZrO2 solid oxide electrolyte. The results are as follows: begin{aligned} Updelta_{{f}} {{G}}^circ ( {{{Mo}}2 {{B}}} )/{{J}} {{mol}}^{ - 1} & = - 193100 + 44.10T ± 700( {1198{{ K to }}1323{{ K}}( {925^circ {{C to }}1050^circ {{C}}} )} ) \\ Updelta_{{f}} {{G}}^circ (α {{MoB}})/{{J}} {{mol}}^{ - 1} & = - 164000 + 26.45T ± 700( {1213{{ K to }}1328{{ K}}( {940^circ {{C to }}1055^circ {{C}}} )} ) \\ Updelta_{{f}} {{G}}^circ ( {{{Mo}}2 {{B}}5 } )/{{J}} {{mol}}^{ - 1} & = - 622500 + 117.0T ± 3000( {1205{{ K to }}1294{{ K}}( {932^circ {{C to }}1021^circ {{C}}} )} ) \\ Updelta_{{f}} {{G}}^circ ( {{{MoB}}4 } )/{{J}} {{mol}}^{ - 1} & = - 387300 + 93.53T ± 3000( {959{{ K to }}1153{{ K}}( {686^circ {{C to }}880^circ {{C}}} )} ) \\ where the standard pressure is 1 bar (100 kPa).
Isham, M. A.
1992-01-01
Silicon carbide and silicon nitride are considered for application as structural materials and coating in advanced propulsion systems including nuclear thermal. Three-dimensional Gibbs free energy were constructed for reactions involving these materials in H2 and H2/H2O. Free energy plots are functions of temperature and pressure. Calculations used the definition of Gibbs free energy where the spontaneity of reactions is calculated as a function of temperature and pressure. Silicon carbide decomposes to Si and CH4 in pure H2 and forms a SiO2 scale in a wet atmosphere. Silicon nitride remains stable under all conditions. There was no apparent difference in reaction thermodynamics between ideal and Van der Waals treatment of gaseous species.
Wormholes minimally violating the null energy condition
Bouhmadi-Lopez, Mariam; Martin-Moruno, Prado
2014-01-01
We consider novel wormhole solutions supported by a matter content that minimally violates the null energy condition. More specifically, we consider an equation of state in which the sum of the energy density and radial pressure is proportional to a constant with a value smaller than that of the inverse area characterising the system, i.e., the area of the wormhole mouth. This approach is motivated by a recently proposed cosmological event, denoted "the little sibling of the big rip", where the Hubble rate and the scale factor blow up but the cosmic derivative of the Hubble rate does not [1]. By using the cut-and-paste approach, we match interior spherically symmetric wormhole solutions to an exterior Schwarzschild geometry, and analyze the stability of the thin-shell to linearized spherically symmetric perturbations around static solutions, by choosing suitable properties for the exotic material residing on the junction interface radius. Furthermore, we also consider an inhomogeneous generalisation of the eq...
Simulating granular materials by energy minimization
Krijgsman, D.; Luding, S.
2016-11-01
Discrete element methods are extremely helpful in understanding the complex behaviors of granular media, as they give valuable insight into all internal variables of the system. In this paper, a novel discrete element method for performing simulations of granular media is presented, based on the minimization of the potential energy in the system. Contrary to most discrete element methods (i.e., soft-particle method, event-driven method, and non-smooth contact dynamics), the system does not evolve by (approximately) integrating Newtons equations of motion in time, but rather by searching for mechanical equilibrium solutions for the positions of all particles in the system, which is mathematically equivalent to locally minimizing the potential energy. The new method allows for the rapid creation of jammed initial conditions (to be used for further studies) and for the simulation of quasi-static deformation problems. The major advantage of the new method is that it allows for truly static deformations. The system does not evolve with time, but rather with the externally applied strain or load, so that there is no kinetic energy in the system, in contrast to other quasi-static methods. The performance of the algorithm for both types of applications of the method is tested. Therefore we look at the required number of iterations, for the system to converge to a stable solution. For each single iteration, the required computational effort scales linearly with the number of particles. During the process of creating initial conditions, the required number of iterations for two-dimensional systems scales with the square root of the number of particles in the system. The required number of iterations increases for systems closer to the jamming packing fraction. For a quasi-static pure shear deformation simulation, the results of the new method are validated by regular soft-particle dynamics simulations. The energy minimization algorithm is able to capture the evolution of the
Silvério, Sara C.; Rodríguez, Oscar; Teixeira, J. A.; Macedo, Eugénia
2010-01-01
The Gibbs free energy of transfer of a suitable hydrophobic probe can be regarded as a measure of the relative hydrophobicity of the different phases. The methylene group (CH2) can be considered hydrophobic, and thus be a suitable probe for hydrophobicity. In this work, the partition coefficients of a series of five dinitrophenylated-amino acids were experimentally determined, at 23 °C, in three different tie-lines of the biphasic systems: (UCON + K2HPO4), (UCON + potassium phosph...
Dolfing, Jan; Novak, Igor
2015-02-01
The sequence of redox reactions in the natural environment generally follows the electron affinity of the electron acceptors present and can be rationalized by the redox potentials of the appropriate half-reactions. Answering the question how halogenated aromatics fit into this sequence requires information on their Gibbs free energy of formation values. In 1992 Gibbs free energy data for various classes of halogenated aromatic compounds were systematically explored for the first time based on Benson's group contribution method. Since then more accurate quantum chemical calculation methods have become available. Here we use these methods to estimate enthalpy and Gibbs free energy of formation values of all chlorinated and brominated phenols. These data and similar state-of-the-art datasets for halogenated benzenes and benzoates were then used to calculate two-electron redox potentials of halogenated aromatics for standard conditions and for pH 7. The results underline the need to take speciation into consideration when evaluating redox potentials at pH 7 and highlight the fact that halogenated aromatics are excellent electron acceptors in aqueous environments.
Microgrids: Energy management by loss minimization technique
A. K. Basu, S. Chowdhury, S.P. Chowdhury
2011-03-01
Full Text Available Energy management is a techno-economic issue, which dictates, in the context of microgrids, how optimal investment in technology front could bring optimal power quality and reliability (PQR of supply to the consumers. Investment in distributed energy resources (DERs, with their connection to the utility grid at optimal locations and with optimal sizes, saves energy in the form of line loss reduction. Line loss reduction is the indirect benefit to the microgrid owner who may recover it as an incentive from utility. The present paper focuses on planning of optimal siting and sizing of DERs based on minimization of line loss. Optimal siting is done, here, on the loss sensitivity index (LSI method and optimal sizing by differential evolution (DE algorithms, which is, again, compared with particle swarm optimization (PSO technique. Studies are conducted on 6-bus and 14-bus radial networks under islanded mode of operation with electric demand profile. Islanding helps planning of DER capacity of microgrid, which is self-sufficient to cater its own consumers without utility’s support.
Wormholes minimally violating the null energy condition
Bouhmadi-López, Mariam; Lobo, Francisco S. N.; Martín-Moruno, Prado
2014-11-01
We consider novel wormhole solutions supported by a matter content that minimally violates the null energy condition. More specifically, we consider an equation of state in which the sum of the energy density and radial pressure is proportional to a constant with a value smaller than that of the inverse area characterising the system, i.e., the area of the wormhole mouth. This approach is motivated by a recently proposed cosmological event, denoted "the little sibling of the big rip", where the Hubble rate and the scale factor blow up but the cosmic derivative of the Hubble rate does not [1]. By using the cut-and-paste approach, we match interior spherically symmetric wormhole solutions to an exterior Schwarzschild geometry, and analyse the stability of the thin-shell to linearized spherically symmetric perturbations around static solutions, by choosing suitable properties for the exotic material residing on the junction interface radius. Furthermore, we also consider an inhomogeneous generalization of the equation of state considered above and analyse the respective stability regions. In particular, we obtain a specific wormhole solution with an asymptotic behaviour corresponding to a global monopole.
Wormholes minimally violating the null energy condition
Bouhmadi-López, Mariam [Departamento de Física, Universidade da Beira Interior, 6200 Covilhã (Portugal); Lobo, Francisco S N; Martín-Moruno, Prado, E-mail: mariam.bouhmadi@ehu.es, E-mail: fslobo@fc.ul.pt, E-mail: pmmoruno@fc.ul.pt [Centro de Astronomia e Astrofísica da Universidade de Lisboa, Campo Grande, Edifício C8, 1749-016 Lisboa (Portugal)
2014-11-01
We consider novel wormhole solutions supported by a matter content that minimally violates the null energy condition. More specifically, we consider an equation of state in which the sum of the energy density and radial pressure is proportional to a constant with a value smaller than that of the inverse area characterising the system, i.e., the area of the wormhole mouth. This approach is motivated by a recently proposed cosmological event, denoted {sup t}he little sibling of the big rip{sup ,} where the Hubble rate and the scale factor blow up but the cosmic derivative of the Hubble rate does not [1]. By using the cut-and-paste approach, we match interior spherically symmetric wormhole solutions to an exterior Schwarzschild geometry, and analyse the stability of the thin-shell to linearized spherically symmetric perturbations around static solutions, by choosing suitable properties for the exotic material residing on the junction interface radius. Furthermore, we also consider an inhomogeneous generalization of the equation of state considered above and analyse the respective stability regions. In particular, we obtain a specific wormhole solution with an asymptotic behaviour corresponding to a global monopole.
Yamamoto, Hiroaki; Morishita, Masao; Miyake, Yuta; Hiramatsu, Shusuke
2017-06-01
The thermodynamic properties for the tungsten-boron binary system were determined by measuring electromotive forces of galvanic cells using an Y2O3-stabilized ZrO2 solid oxide electrolyte. Assuming that W2B and αWB are the stoichiometric compounds, and W2B5- x and W1- x B3 are the nonstoichiometric compounds having solubility widths of 0.670 ≤ X B ≤ 0.690 and 0.805 ≤ X B ≤ 0.822, respectively, they were treated as the intermediate phases of W0.667B0.333, αW0.50B0.50, W0.330B0.670 W0.310B0.690, and W0.195B0.805 W0.178B0.822. The Gibbs energies of mixing, ∆mix G, determined in the present study are listed as follows: Δ_{{mix}} G({W}_{0.667} {B}_{0.333} )/{{J}} {{mol}}^{ - 1} = {-}78070 + 26.01T ± 70 [1305{-}1422{{ K}}(1032{-}1149°C)], Δ_{{mix}} G(α {W}_{0.50} {B}_{0.50} )/{{J}} {{mol}}^{ - 1} = {-}86140 + 20.19T ± 200 [1310{-}1399{{ K }}(1037{-}1126°C)], Δ_{{mix}} G({W}_{0.330} {B}_{0.670} )/{{J}} {{mol}}^{ - 1} = {-}78910 + 18.11T ± 200 [1228{-}1410{{ K }}(955{-}1137°C)], ; Δ_{{mix}} G({W}_{0.310} {B}_{0.690} )/{{J}} {{mol}}^{ - 1} = {-}77350 + 17.52T ± 500 [1228{-}1410{{ K }}(955{-}1137°C)], Δ_{{mix}} G({W}_{0.195} {B}_{0.805} )/{{J}} {{mol}}^{ - 1} = {-}63920 + 12.08T ± 500 [1170{-}1340{{ K }}(897{-}1067°C)], Δ_{{mix}} G({W}_{0.178} {B}_{0.822} )/{{J}} {{mol}}^{ - 1} = {-}60090 + 11.15T ± 200 [1170{-}1340{{ K }}(897{-}1067°C)]. Using the thermodynamic properties determined in the present study, the composition-oxygen partial pressure diagram of the tungsten-boron-oxygen system was constructed under the conditions at 1273 K (1000 °C) and a total pressure of 1 bar (100 kPa). It is useful to understand the oxidation property of tungsten-boron binary alloys.
3D motion analysis via energy minimization
Wedel, Andreas
2009-10-16
This work deals with 3D motion analysis from stereo image sequences for driver assistance systems. It consists of two parts: the estimation of motion from the image data and the segmentation of moving objects in the input images. The content can be summarized with the technical term machine visual kinesthesia, the sensation or perception and cognition of motion. In the first three chapters, the importance of motion information is discussed for driver assistance systems, for machine vision in general, and for the estimation of ego motion. The next two chapters delineate on motion perception, analyzing the apparent movement of pixels in image sequences for both a monocular and binocular camera setup. Then, the obtained motion information is used to segment moving objects in the input video. Thus, one can clearly identify the thread from analyzing the input images to describing the input images by means of stationary and moving objects. Finally, I present possibilities for future applications based on the contents of this thesis. Previous work in each case is presented in the respective chapters. Although the overarching issue of motion estimation from image sequences is related to practice, there is nothing as practical as a good theory (Kurt Lewin). Several problems in computer vision are formulated as intricate energy minimization problems. In this thesis, motion analysis in image sequences is thoroughly investigated, showing that splitting an original complex problem into simplified sub-problems yields improved accuracy, increased robustness, and a clear and accessible approach to state-of-the-art motion estimation techniques. In Chapter 4, optical flow is considered. Optical flow is commonly estimated by minimizing the combined energy, consisting of a data term and a smoothness term. These two parts are decoupled, yielding a novel and iterative approach to optical flow. The derived Refinement Optical Flow framework is a clear and straight-forward approach to
A Gibbs distribution that learns from GA dynamics
Kitagata, Manabu
2010-01-01
A general procedure of average-case performance evaluation for population dynamics such as genetic algorithms (GAs) is proposed and its validity is numerically examined. We introduce a learning algorithm of Gibbs distributions from training sets which are gene configurations (strings) generated by GA in order to figure out the statistical properties of GA from the view point of thermodynamics. The learning algorithm is constructed by means of minimization of the Kullback-Leibler information between a parametric Gibbs distribution and the empirical distribution of gene configurations. The formulation is applied to the solvable probabilistic models having multi-valley energy landscapes, namely, the spin glass chain and the Sherrington-Kirkpatrick model. By using computer simulations, we discuss the asymptotic behaviour of the effective temperature scheduling and the residual energy induced by the GA dynamics.
Li, Hui-Yu; Guo, Xing-Min
2015-02-01
Aiming to fill the thermodynamic blank in CaO-FeO-Fe2O3 system, the determination of the Gibbs free energy of formation from elements for ternary Ca4Fe9O17 was carried out using a solid-state galvanic cell with air and calcium zirconate material, respectively, as the reference electrode and electrolyte. The ternary system Ca2Fe2O5-CaFe2O4-Ca4Fe9O17 was selected as the measuring electrode and its equilibrium was confirmed. The essential thermodynamic data of Ca2Fe2O5 and CaFe2O4 were cited from the reassessed data from a previous investigation. The reversible electromotive forces of the cell were determined from 1273 K to 1473 K (1000 °C to 1200 °C). The Gibbs free energy of formation from elements for Ca4Fe9O17 was derived and given by: The increment of enthalpy and entropy of formation from elements for Ca4Fe9O17 at 298 K (25 °C) are calculated to be and . The Ellingham diagram was developed in temperature range 1273 K to 1473 K (1000 °C to 1200 °C). The oxygen potential of Ca4Fe9O17 was found to be slightly higher than CaFe2O4 and much higher than Ca2Fe2O5.
Tang, Ying [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Du, Yong, E-mail: yongducalphad@gmail.com [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Zhang, Lijun [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universitaet Bochum, Stiepeler Str. 129, 44801 Bochum (Germany); Yuan, Xiaoming [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Kaptay, George [Department of Nanotechnology, University of Miskolc, H-3515 Miskolc, Egyetemvaros E/7 - 606 (Hungary); Department of Nano-materials, BAY-LOGI Research Institute, H-3515 Miskolc, Egyetemvaros E/7 - 606 (Hungary)
2012-01-10
Highlights: Black-Right-Pointing-Pointer An exponential formulation to describe ternary excess Gibbs energy is proposed. Black-Right-Pointing-Pointer Theoretical analysis is performed to verify stability of phase using new formulation. Black-Right-Pointing-Pointer Al-Mg-Si system and its boundary binaries have been assessed by the new formulation. Black-Right-Pointing-Pointer Present calculations for Al-Mg-Si system are more reasonable than previous ones. - Abstract: An exponential formulation was proposed to replace the linear interaction parameter in the Redlich-Kister (R-K) polynomial for the excess Gibbs energy of ternary solution phase. The theoretical analysis indicates that the proposed new exponential formulation can not only avoid the artificial miscibility gap at high temperatures but also describe the ternary system well. A thermodynamic description for the Al-Mg-Si system and its boundary binaries was then performed by using both R-K linear and exponential formulations. The inverted miscibility gaps occurring in the Mg-Si and the Al-Mg-Si systems at high temperatures due to the use of R-K linear polynomials are avoided by using the new formulation. Besides, the thermodynamic properties predicted with the new formulation confirm the general thermodynamic belief that the solution phase approaches to the ideal solution at infinite temperatures, which cannot be described with the traditional R-K linear polynomials.
Lomzov, Alexander A; Vorobjev, Yury N; Pyshnyi, Dmitrii V
2015-12-10
A molecular dynamics simulation approach was applied for the prediction of the thermal stability of oligonucleotide duplexes. It was shown that the enthalpy of the DNA/DNA complex formation could be calculated using this approach. We have studied the influence of various simulation parameters on the secondary structure and the hybridization enthalpy value of Dickerson-Drew dodecamer. The optimal simulation parameters for the most reliable prediction of the enthalpy values were determined. The thermodynamic parameters (enthalpy and entropy changes) of a duplex formation were obtained experimentally for 305 oligonucleotides of various lengths and GC-content. The resulting database was studied with molecular dynamics (MD) simulation using the optimized simulation parameters. Gibbs free energy changes and the melting temperatures were evaluated using the experimental correlation between enthalpy and entropy changes of the duplex formation and the enthalpy values calculated by the MD simulation. The average errors in the predictions of enthalpy, the Gibbs free energy change, and the melting temperature of oligonucleotide complexes were 11%, 10%, and 4.4 °C, respectively. We have shown that the molecular dynamics simulation gives a possibility to calculate the thermal stability of native DNA/DNA complexes a priori with an unexpectedly high accuracy.
Sobolev, S. L., E-mail: sobolev@icp.ac.ru [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)
2017-03-15
An analytical model has been developed to describe the influence of solute trapping during rapid alloy solidification on the components of the Gibbs free energy change at the phase interface with emphasis on the solute drag energy. For relatively low interface velocity V < V{sub D}, where V{sub D} is the characteristic diffusion velocity, all the components, namely mixing part, local nonequilibrium part, and solute drag, significantly depend on solute diffusion and partitioning. When V ≥ V{sub D}, the local nonequilibrium effects lead to a sharp transition to diffusionless solidification. The transition is accompanied by complete solute trapping and vanishing solute drag energy, i.e. partitionless and “dragless” solidification.
Tiago Campos Pereira
2007-01-01
Full Text Available The RNA interference (RNAi technique is a recent technology that uses double-stranded RNA molecules to promote potent and specific gene silencing. The application of this technique to molecular biology has increased considerably, from gene function identification to disease treatment. However, not all small interfering RNAs (siRNAs are equally efficient, making target selection an essential procedure. Here we present Strand Analysis (SA, a free online software tool able to identify and classify the best RNAi targets based on Gibbs free energy (deltaG. Furthermore, particular features of the software, such as the free energy landscape and deltaG gradient, may be used to shed light on RNA-induced silencing complex (RISC activity and RNAi mechanisms, which makes the SA software a distinct and innovative tool.
Harvey, J.-P.; Gheribi, A. E.; Chartrand, P.
2012-12-01
In this work, an in silico procedure to generate a fully coherent set of thermodynamic properties obtained from classical molecular dynamics (MD) and Monte Carlo (MC) simulations is proposed. The procedure is applied to the Al-Zr system because of its importance in the development of high strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of the studied condensed phases of the Al-Zr system (the liquid phase, the fcc solid solution, and various orthorhombic stoichiometric compounds) are calculated using the modified embedded atom model (MEAM) in the second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is parameterized in this work using ab initio and experimental data found in the literature for the AlZr3-L12 structure, while its predictive ability is confirmed for several other solid structures and for the liquid phase. The thermodynamic integration (TI) method is implemented in a general MC algorithm in order to evaluate the absolute Gibbs energy of the liquid and the fcc solutions. The entropy of mixing calculated from the TI method, combined to the enthalpy of mixing and the heat capacity data generated from MD/MC simulations performed in the isobaric-isothermal/canonical (NPT/NVT) ensembles are used to parameterize the Gibbs energy function of all the condensed phases in the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams (CALPHAD) approach. The modified quasichemical model in the pair approximation (MQMPA) and the cluster variation method (CVM) in the tetrahedron approximation are used to define the Gibbs energy of the liquid and the fcc solid solution respectively for their entire range of composition. Thermodynamic and structural data generated from our MD/MC simulations are used as input data to parameterize these thermodynamic models. A detailed analysis of the validity and transferability of the Al-Zr MEAM-2NN potential is presented throughout our work by comparing the predicted properties obtained
Eigenstate Gibbs ensemble in integrable quantum systems
Nandy, Sourav; Sen, Arnab; Das, Arnab; Dhar, Abhishek
2016-12-01
The eigenstate thermalization hypothesis conjectures that for a thermodynamically large system in one of its energy eigenstates, the reduced density matrix describing any finite subsystem is determined solely by a set of relevant conserved quantities. In a chaotic quantum system, only the energy is expected to play that role and hence eigenstates appear locally thermal. Integrable systems, on the other hand, possess an extensive number of such conserved quantities and therefore the reduced density matrix requires specification of all the corresponding parameters (generalized Gibbs ensemble). However, here we show by unbiased statistical sampling of the individual eigenstates with a given finite energy density that the local description of an overwhelming majority of these states of even such an integrable system is actually Gibbs-like, i.e., requires only the energy density of the eigenstate. Rare eigenstates that cannot be represented by the Gibbs ensemble can also be sampled efficiently by our method and their local properties are then shown to be described by appropriately truncated generalized Gibbs ensembles. We further show that the presence of these rare eigenstates differentiates the model from the chaotic case and leads to the system being described by a generalized Gibbs ensemble at long time under a unitary dynamics following a sudden quench, even when the initial state is a typical (Gibbs-like) eigenstate of the prequench Hamiltonian.
Gibbs Paradox and Similarity Principle
Lin, Shu-Kun
2008-01-01
Adding -lnN! term to the accepted entropy formula will immediately make the entropy function nonadditive and sometimes negative. As no heat effect and mechanical work are observed, we have a simple experimental resolution of the Gibbs paradox: the thermodynamic entropy of mixing is always zero and the Gibbs free energy change is also always zero during the formation of any ideal mixture of gases, liquids, solids or solutions, whether their components are different or identical. However, information loss is observed and must be the exclusive driving force of these spontaneous processes. Information is defined and calculated as the amount of the compressed data. Information losses due to dynamic motion and static symmetric structure formation are defined as two kinds of entropies-dynamic entropy and static entropy, respectively. Entropy is defined and calculated as the logarithm of the symmetry number. There are three laws of information theory, where the first and the second laws are analogs of the two thermod...
Dimensionality of Local Minimizers of the Interaction Energy
Balagué, D.
2013-05-22
In this work we consider local minimizers (in the topology of transport distances) of the interaction energy associated with a repulsive-attractive potential. We show how the dimensionality of the support of local minimizers is related to the repulsive strength of the potential at the origin. © 2013 Springer-Verlag Berlin Heidelberg.
Kleeman, W P; Bailey, L C
1988-06-01
An in vitro method utilizing high-performance liquid chromatography (HPLC) was developed in order to investigate the adsorptive process between activated charcoal and various drugs and toxic chemicals by measuring their Gibbs free energy of adsorption from various acetonitrile:water mobile phases. This report details the derivation and validation of the equation for calculating the Gibbs free energy of liquid-solid adsorption via HPLC. The derived equation incorporates the following experimental parameters: specific surface area of the adsorbent, specific retention volume of the solute, molar volume of the mobile phase, and surface concentration of the solute in a predefined standard state. This equation was validated by means of a closed thermodynamic cycle composed of three segments. Each segment represents a different physical process: gas-solid adsorption of methyl iodide on activated charcoal, gas-liquid solution of methyl iodide in n-hexadecane, and liquid-solid adsorption of methyl iodide on activated charcoal from n-hexadecane. The Gibbs free energy for each of these thermodynamic processes was determined by the appropriate chromatographic technique. Since the cycle did not balance because it did not account for the interaction of n-hexadecane and activated charcoal, it was altered to include a gas-liquid-solid chromatographic technique. When the Gibbs free energies of solution and gas-solid adsorption determined by this chromatographic technique were incorporated into the cycle, the resulting imbalance was only 0.213 kJ/mol (1.1%), thereby validating the derived equation.
Eigenstate Gibbs Ensemble in Integrable Quantum Systems
Nandy, Sourav; Das, Arnab; Dhar, Abhishek
2016-01-01
The Eigenstate Thermalization Hypothesis implies that for a thermodynamically large system in one of its eigenstates, the reduced density matrix describing any finite subsystem is determined solely by a set of {\\it relevant} conserved quantities. In a generic system, only the energy plays that role and hence eigenstates appear locally thermal. Integrable systems, on the other hand, possess an extensive number of such conserved quantities and hence the reduced density matrix requires specification of an infinite number of parameters (Generalized Gibbs Ensemble). However, here we show by unbiased statistical sampling of the individual eigenstates with a given finite energy density, that the local description of an overwhelming majority of these states of even such an integrable system is actually Gibbs-like, i.e. requires only the energy density of the eigenstate. Rare eigenstates that cannot be represented by the Gibbs ensemble can also be sampled efficiently by our method and their local properties are then s...
Maggi, F.; Riley, W. J.
2016-12-01
We propose a mathematical framework to introduce the concept of differential free energy of activation in enzymatically catalyzed reactions, and apply it to N uptake by microalgae and bacteria. This framework extends the thermodynamic capabilities of the classical transition-state theory in and harmonizes the consolidated definitions of kinetic parameters with their thermodynamic and physical meaning. Here, the activation energy is assumed to be a necessary energetic level for equilibrium complexation between reactants and activated complex; however, an additional energy contribution is required for the equilibrium activated complex to release reaction products. We call this "differential free energy of activation"; it can be described by a Boltzmann distribution, and corresponds to a free energy level different from that of complexation. Whether this level is above or below the free energy of activation depends on the reaction, and defines energy domains that correspond to "superactivated", "activated", and "subactivated" complexes. The activated complex reaching one of those states will eventually release the products from an energy level different than that of activation. The concept of differential free energy of activation was tested on 57 independent experiments of NH4+ and NO3- uptake by various microalgae and bacteria at temperatures ranging between 1 and 45oC. Results showed that the complexation equilibrium always favored the activated complex, but the differential energy of activation led to an apparent energy barrier consistent with observations. Temperature affected all energy levels within this framework but did not alter substantially these thermodynamic features. Overall the approach: (1) provides a thermodynamic and mathematical link between Michaelis-Menten and rate constants; (2) shows that both kinetic parameters can be described or approximated by Arrhenius' like equations; (3) describes the likelihood of formation of sub-, super-, and
Energy minimization for the flow in ducts and networks
Sochi, Taha
2014-01-01
The present paper is an attempt to demonstrate how the energy minimization principle may be considered as a governing rule for the physical equilibrium that determines the flow fields in tubes and networks. We previously investigated this issue using a numerical stochastic method, specifically simulated annealing, where we demonstrated the problem by some illuminating examples and concluded that energy minimization principle can be a valid hypothesis. The investigation in this paper is more general as it is based to a certain extent on an analytical approach.
Marjolin, Aude; Gourlaouen, Christophe; Clavaguéra, Carine; Ren, Pengyu Y; Piquemal, Jean-Philip; Dognon, Jean-Pierre
2014-10-01
The hydration free energies, structures, and dynamics of open- and closed-shell trivalent lanthanide and actinide metal cations are studied using molecular dynamics simulations (MD) based on a polarizable force field. Parameters for the metal cations are derived from an ab initio bottom-up strategy. MD simulations of six cations solvated in bulk water are subsequently performed with the AMOEBA polarizable force field. The calculated first-and second shell hydration numbers, water residence times, and free energies of hydration are consistent with experimental/theoretical values leading to a predictive modeling of f-elements compounds.
Ideal, best packing, and energy minimizing double helices
O'Hara, Jun
2011-01-01
We study optimal double helices with straight axes (or the fattest tubes around them) computationally using three kinds of functionals; ideal ones using ropelength, best volume packing ones, and energy minimizers using two one-parameter families of interaction energies between two strands of types $r^{-\\alpha}$ and $\\frac1r\\exp(-kr)$. We compare the numerical results with experimental data of DNA.
Comments on the Energy Principle and the Minimizing Eigenfunction
Schnack, Dalton D.
In this lecture, we make some comments on the MHD energy principle and the process of minimization. These remarks are quite general. Some of them require a considerable amount of vector algebra and integration by parts. Most of these details have been omitted for clarity of presentation.
Obendorf, Hartmut
2009-01-01
The notion of Minimalism is proposed as a theoretical tool supporting a more differentiated understanding of reduction and thus forms a standpoint that allows definition of aspects of simplicity. This book traces the development of minimalism, defines the four types of minimalism in interaction design, and looks at how to apply it.
Minimal Self-Models and the Free Energy Principle
Jakub eLimanowski
2013-09-01
Full Text Available The term "minimal phenomenal selfhood" describes the basic, pre-reflective experience of being a self (Blanke & Metzinger, 2009. Theoretical accounts of the minimal self have long recognized the importance and the ambivalence of the body as both part of the physical world, and the enabling condition for being in this world (Gallagher, 2005; Grafton, 2009. A recent account of minimal phenomenal selfhood (MPS, Metzinger, 2004a centers on the consideration that minimal selfhood emerges as the result of basic self-modeling mechanisms, thereby being founded on pre-reflective bodily processes. The free energy principle (FEP, Friston, 2010 is a novel unified theory of cortical function that builds upon the imperative that self-organizing systems entail hierarchical generative models of the causes of their sensory input, which are optimized by minimizing free energy as an approximation of the log-likelihood of the model. The implementation of the FEP via predictive coding mechanisms and in particular the active inference principle emphasizes the role of embodiment for predictive self-modeling, which has been appreciated in recent publications. In this review, we provide an overview of these conceptions and illustrate thereby the potential power of the FEP in explaining the mechanisms underlying minimal selfhood and its key constituents, multisensory integration, interoception, agency, perspective, and the experience of mineness. We conclude that the conceptualization of MPS can be well mapped onto a hierarchical generative model furnished by the free energy principle and may constitute the basis for higher-level, cognitive forms of self-referral, as well as the understanding of other minds.
Minimizing Energy Spread In The REX/HIE-ISOLDE Linac
Yucemoz, Mert
2017-01-01
This report tries to minimize the energy spread of the beam at the end of the REX-HIE-ISOLDE Linac using the last RF cavity as a buncher. Beams with very low energy spread are often required by the users of the facility In addition, one of the main reason to have minimum energy spread in longitudinal phase space is that higher beam energy spread translates in to a position spread after interacting with target. This causes an overlap in the position of different particles that makes it difficult to distinguish them. Hence, in order to find the operation settings for minimum energy spread at the end of the REX-HIE-ISOLDE linac and to inspect the ongoing physics, several functions on Matlab were created that runs beam dynamics program called “TRACKV39” that provides some graphs and values as a result for analysis.
Strain energy minimization in SSC (Superconducting Super Collider) magnet winding
Cook, J.M.
1990-09-24
Differential geometry provides a natural family of coordinate systems, the Frenet frame, in which to specify the geometric properties of magnet winding. By a modification of the Euler-Bernoulli thin rod model, the strain energy is defined with respect to this frame. Then it is minimized by a direct method from the calculus of variations. The mathematics, its implementation in a computer program, and some analysis of an SSC dipole by the program will be described. 16 refs.
On minimal energy dipole moment distributions in regular polygonal agglomerates
Rosa, Adriano Possebon; Cunha, Francisco Ricardo; Ceniceros, Hector Daniel
2017-01-01
Static, regular polygonal and close-packed clusters of spherical magnetic particles and their energy-minimizing magnetic moments are investigated in a two-dimensional setting. This study focuses on a simple particle system which is solely described by the dipole-dipole interaction energy, both without and in the presence of an in-plane magnetic field. For a regular polygonal structure of n sides with n ≥ 3 , and in the absence of an external field, it is proved rigorously that the magnetic moments given by the roots of unity, i.e. tangential to the polygon, are a minimizer of the dipole-dipole interaction energy. Also, for zero external field, new multiple local minima are discovered for the regular polygonal agglomerates. The number of found local extrema is proportional to [ n / 2 ] and these critical points are characterized by the presence of a pair of magnetic moments with a large deviation from the tangential configuration and whose particles are at least three diameters apart. The changes induced by an in-plane external magnetic field on the minimal energy, tangential configurations are investigated numerically. The two critical fields, which correspond to a crossover with the linear chain minimal energy and with the break-up of the agglomerate, respectively are examined in detail. In particular, the numerical results are compared directly with the asymptotic formulas of Danilov et al. (2012) [23] and a remarkable agreement is found even for moderate to large fields. Finally, three examples of close-packed structures are investigated: a triangle, a centered hexagon, and a 19-particle close packed cluster. The numerical study reveals novel, illuminating characteristics of these compact clusters often seen in ferrofluids. The centered hexagon is energetically favorable to the regular hexagon and the minimal energy for the larger 19-particle cluster is even lower than that of the close packed hexagon. In addition, this larger close packed agglomerate has two
Scheduling to Minimize Energy and Flow Time in Broadcast Scheduling
Moseley, Benjamin
2010-01-01
In this paper we initiate the study of minimizing power consumption in the broadcast scheduling model. In this setting there is a wireless transmitter. Over time requests arrive at the transmitter for pages of information. Multiple requests may be for the same page. When a page is transmitted, all requests for that page receive the transmission simulteneously. The speed the transmitter sends data at can be dynamically scaled to conserve energy. We consider the problem of minimizing flow time plus energy, the most popular scheduling metric considered in the standard scheduling model when the scheduler is energy aware. We will assume that the power consumed is modeled by an arbitrary convex function. For this problem there is a $\\Omega(n)$ lower bound. Due to the lower bound, we consider the resource augmentation model of Gupta \\etal \\cite{GuptaKP10}. Using resource augmentation, we give a scalable algorithm. Our result also gives a scalable non-clairvoyant algorithm for minimizing weighted flow time plus energ...
Cooperative relay-based multicasting for energy and delay minimization
Atat, Rachad
2012-08-01
Relay-based multicasting for the purpose of cooperative content distribution is studied. Optimized relay selection is performed with the objective of minimizing the energy consumption or the content distribution delay within a cluster of cooperating mobiles. Two schemes are investigated. The first consists of the BS sending the data only to the relay, and the second scheme considers the scenario of threshold-based multicasting by the BS, where a relay is selected to transmit the data to the mobiles that were not able to receive the multicast data. Both schemes show significant superiority compared to the non-cooperative scenarios, in terms of energy consumption and delay reduction. © 2012 IEEE.
Chemical process simulation for minimizing energy consumption in pulp mills
Cardoso, Marcelo; Oliveira, Katia Dionisio de; Costa, George Alberto Avelar [Department of Chemical Engineering/School of Engineering, Federal University of Minas Gerais (UFMG), Belo Horizonte/MG (Brazil); Passos, Maria Laura [Collaborator Researcher, Drying Center, Chemical Engineering Department, Federal University of Sao Carlos (UFSCar) (Brazil)
2009-01-15
Chemical process simulation has proven to be an effective tool for performing a systematic and global analysis of energy systems to identify routes for maximizing the process efficiency concerning to the heat recovery. This paper shows an application of computer simulations in a Brazilian pulp mill, using two strategies for minimizing the mill energy consumption. In the first one, the overall heat transfer coefficient has been predicted for each body of the multiple effect evaporators by using continuous on-line data from the industrial plant in the black liquor recover unit. By monitoring oscillations of this heat transfer coefficient, the suitable time for washing the evaporator heat transfer surfaces can be well determined, reducing the energy loss during black liquor evaporation. In the second strategy, the liquor combustion has been simulated as function of the black liquor solids concentration to analyze its effect on the recovery boiler efficiency improvement. (author)
AMG by element agglomeration and constrained energy minimization interpolation
Kolev, T V; Vassilevski, P S
2006-02-17
This paper studies AMG (algebraic multigrid) methods that utilize energy minimization construction of the interpolation matrices locally, in the setting of element agglomeration AMG. The coarsening in element agglomeration AMG is done by agglomerating fine-grid elements, with coarse element matrices defined by a local Galerkin procedure applied to the matrix assembled from the individual fine-grid element matrices. This local Galerkin procedure involves only the coarse basis restricted to the agglomerated element. To construct the coarse basis, one exploits previously proposed constraint energy minimization procedures now applied to the local matrix. The constraints are that a given set of vectors should be interpolated exactly, not only globally, but also locally on every agglomerated element. The paper provides algorithmic details, as well as a convergence result based on a ''local-to-global'' energy bound of the resulting multiple-vector fitting AMG interpolation mappings. A particular implementation of the method is illustrated with a set of numerical experiments.
A strategy to find minimal energy nanocluster structures.
Rogan, José; Varas, Alejandro; Valdivia, Juan Alejandro; Kiwi, Miguel
2013-11-05
An unbiased strategy to search for the global and local minimal energy structures of free standing nanoclusters is presented. Our objectives are twofold: to find a diverse set of low lying local minima, as well as the global minimum. To do so, we use massively the fast inertial relaxation engine algorithm as an efficient local minimizer. This procedure turns out to be quite efficient to reach the global minimum, and also most of the local minima. We test the method with the Lennard-Jones (LJ) potential, for which an abundant literature does exist, and obtain novel results, which include a new local minimum for LJ13 , 10 new local minima for LJ14 , and thousands of new local minima for 15≤N≤65. Insights on how to choose the initial configurations, analyzing the effectiveness of the method in reaching low-energy structures, including the global minimum, are developed as a function of the number of atoms of the cluster. Also, a novel characterization of the potential energy surface, analyzing properties of the local minima basins, is provided. The procedure constitutes a promising tool to generate a diverse set of cluster conformations, both two- and three-dimensional, that can be used as an input for refinement by means of ab initio methods. Copyright © 2013 Wiley Periodicals, Inc.
Energy Cost Minimization in Heterogeneous Cellular Networks with Hybrid Energy Supplies
Bang Wang
2016-01-01
Full Text Available The ever increasing data demand has led to the significant increase of energy consumption in cellular mobile networks. Recent advancements in heterogeneous cellular networks and green energy supplied base stations provide promising solutions for cellular communications industry. In this article, we first review the motivations and challenges as well as approaches to address the energy cost minimization problem for such green heterogeneous networks. Owing to the diversities of mobile traffic and renewable energy, the energy cost minimization problem involves both temporal and spatial optimization of resource allocation. We next present a new solution to illustrate how to combine the optimization of the temporal green energy allocation and spatial mobile traffic distribution. The whole optimization problem is decomposed into four subproblems, and correspondingly our proposed solution is divided into four parts: energy consumption estimation, green energy allocation, user association, and green energy reallocation. Simulation results demonstrate that our proposed algorithm can significantly reduce the total energy cost.
Outage Probability Minimization for Energy Harvesting Cognitive Radio Sensor Networks
Fan Zhang
2017-01-01
Full Text Available The incorporation of cognitive radio (CR capability in wireless sensor networks yields a promising network paradigm known as CR sensor networks (CRSNs, which is able to provide spectrum efficient data communication. However, due to the high energy consumption results from spectrum sensing, as well as subsequent data transmission, the energy supply for the conventional sensor nodes powered by batteries is regarded as a severe bottleneck for sustainable operation. The energy harvesting technique, which gathers energy from the ambient environment, is regarded as a promising solution to perpetually power-up energy-limited devices with a continual source of energy. Therefore, applying the energy harvesting (EH technique in CRSNs is able to facilitate the self-sustainability of the energy-limited sensors. The primary concern of this study is to design sensing-transmission policies to minimize the long-term outage probability of EH-powered CR sensor nodes. We formulate this problem as an infinite-horizon discounted Markov decision process and propose an ϵ-optimal sensing-transmission (ST policy through using the value iteration algorithm. ϵ is the error bound between the ST policy and the optimal policy, which can be pre-defined according to the actual need. Moreover, for a special case that the signal-to-noise (SNR power ratio is sufficiently high, we present an efficient transmission (ET policy and prove that the ET policy achieves the same performance with the ST policy. Finally, extensive simulations are conducted to evaluate the performance of the proposed policies and the impaction of various network parameters.
Outage Probability Minimization for Energy Harvesting Cognitive Radio Sensor Networks.
Zhang, Fan; Jing, Tao; Huo, Yan; Jiang, Kaiwei
2017-01-24
The incorporation of cognitive radio (CR) capability in wireless sensor networks yields a promising network paradigm known as CR sensor networks (CRSNs), which is able to provide spectrum efficient data communication. However, due to the high energy consumption results from spectrum sensing, as well as subsequent data transmission, the energy supply for the conventional sensor nodes powered by batteries is regarded as a severe bottleneck for sustainable operation. The energy harvesting technique, which gathers energy from the ambient environment, is regarded as a promising solution to perpetually power-up energy-limited devices with a continual source of energy. Therefore, applying the energy harvesting (EH) technique in CRSNs is able to facilitate the self-sustainability of the energy-limited sensors. The primary concern of this study is to design sensing-transmission policies to minimize the long-term outage probability of EH-powered CR sensor nodes. We formulate this problem as an infinite-horizon discounted Markov decision process and propose an ϵ-optimal sensing-transmission (ST) policy through using the value iteration algorithm. ϵ is the error bound between the ST policy and the optimal policy, which can be pre-defined according to the actual need. Moreover, for a special case that the signal-to-noise (SNR) power ratio is sufficiently high, we present an efficient transmission (ET) policy and prove that the ET policy achieves the same performance with the ST policy. Finally, extensive simulations are conducted to evaluate the performance of the proposed policies and the impaction of various network parameters.
The Virasoro Gibbs state and BTZ black holes
Garbarz, Alan
2016-01-01
We show that the Virasoro Gibbs state accurately describes the thermodynamics of BTZ black holes at large temperatures and in the strong-coupling regime $c<1$. We first give a simple heuristic argument by showing that at high temperatures and arbitrary $c$, the energies are much larger than Planck mass. Then we give a detailed analysis of the quantum fluctuations of the Gibbs state on unitary irreducible representations of Virasoro group and explicitly show that they go to zero in the high-temperature limit by means of representation theory results. This implies the state has a sensible thermodynamic limit which actually holds for any $c$. Finally, the matching with BTZ thermodynamics for $c<1$ is obtained by using the known asymptotic behaviour of the characters of the Virasoro discrete series. This result supports the idea that minimal models could describe quantum gravity at strong coupling. We make no use of the Euclidean path integral nor assume modular invariance of the partition functions, althou...
Escape rates for Gibbs measures
Ferguson, Andrew
2010-01-01
We study the asymptotic behaviour of the escape rate of a Gibbs measure supported on a conformal repeller through a small hole. There are additional applications to the convergence of Hausdorff dimension of the survivor set.
Gibbs Sampling for the Uninitiated
2010-04-01
CS-TR-4956 UMIACS-TR-2010-04 LAMP-TR-153 April 2010 GIBBS SAMPLING FOR THE UNINITIATED Philip Resnik Eric Hardisty Department of Linguistics...Institute for Advanced Computer Studies University of Maryland College Park, MD 20742-3275 resnik AT umd.edu Department of Computer Science Institute for...Prescribed by ANSI Std Z39-18 Gibbs Sampling for the Uninitiated Philip Resnik Department of Linguistics and Institute for Advanced Computer Studies
Interactive seismic interpretation with piecewise global energy minimization
Hollt, Thomas
2011-03-01
Increasing demands in world-wide energy consumption and oil depletion of large reservoirs have resulted in the need for exploring smaller and more complex oil reservoirs. Planning of the reservoir valorization usually starts with creating a model of the subsurface structures, including seismic faults and horizons. However, seismic interpretation and horizon tracing is a difficult and error-prone task, often resulting in hours of work needing to be manually repeated. In this paper, we propose a novel, interactive workflow for horizon interpretation based on well positions, which include additional geological and geophysical data captured by actual drillings. Instead of interpreting the volume slice-by-slice in 2D, we propose 3D seismic interpretation based on well positions. We introduce a combination of 2D and 3D minimal cost path and minimal cost surface tracing for extracting horizons with very little user input. By processing the volume based on well positions rather than slice-based, we are able to create a piecewise optimal horizon surface at interactive rates. We have integrated our system into a visual analysis platform which supports multiple linked views for fast verification, exploration and analysis of the extracted horizons. The system is currently being evaluated by our collaborating domain experts. © 2011 IEEE.
Energy minimization strategies and renewable energy utilization for desalination: a review.
Subramani, Arun; Badruzzaman, Mohammad; Oppenheimer, Joan; Jacangelo, Joseph G
2011-02-01
Energy is a significant cost in the economics of desalinating waters, but water scarcity is driving the rapid expansion in global installed capacity of desalination facilities. Conventional fossil fuels have been utilized as their main energy source, but recent concerns over greenhouse gas (GHG) emissions have promoted global development and implementation of energy minimization strategies and cleaner energy supplies. In this paper, a comprehensive review of energy minimization strategies for membrane-based desalination processes and utilization of lower GHG emission renewable energy resources is presented. The review covers the utilization of energy efficient design, high efficiency pumping, energy recovery devices, advanced membrane materials (nanocomposite, nanotube, and biomimetic), innovative technologies (forward osmosis, ion concentration polarization, and capacitive deionization), and renewable energy resources (solar, wind, and geothermal). Utilization of energy efficient design combined with high efficiency pumping and energy recovery devices have proven effective in full-scale applications. Integration of advanced membrane materials and innovative technologies for desalination show promise but lack long-term operational data. Implementation of renewable energy resources depends upon geography-specific abundance, a feasible means of handling renewable energy power intermittency, and solving technological and economic scale-up and permitting issues.
Energy minimization calculations for diamond (111) surface reconstructions
Vanderbilt, D.; Louie, S.G.
1984-08-01
A remarkable variety of surface reconstructions occur on the (111) surfaces of the tetrahedral elements C, Si and Ge. A possible common denominator may be the occurrence of a similar 2 x 1 reconstruction on all three elemental surfaces. While clear 2 x 1 LEED patterns are observed for Si and Ge (111) surfaces, LEED cannot distinguish between a true 2 x 2 or disordered domains of 2 x 1 for the diamond (111) surface. However, the similarity of the angle-resolved photoemission (ARUPS) results for C, Si, and Ge suggests that a common 2 x 1 structure may be responsible. The 2 x 1 structure disappears upon annealing for Si and Ge but appears upon annealing for C, indicating that it may be thermodynamically stable only for C. Thus the study of the diamond 2 x 2/2 x 1 surface is of particular interest. Here, we report direct energy minimization calculations for these models. A first principles linear combination of atomic orbitals approach has been used to calculate total energies in the pseudopotential and local density (LDA) approximations. 27 refs., 3 figs., 2 tabs.
Silverio, Sara C. [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias s/n. 4200-465 Porto (Portugal); IBB - Institute for Biotechnology and Bioengineering, Centre for Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Rodriguez, Oscar [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias s/n. 4200-465 Porto. Portugal (Portugal); Teixeira, Jose A. [IBB - Institute for Biotechnology and Bioengineering, Centre for Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Macedo, Eugenia A., E-mail: eamacedo@fe.up.p [LSRE - Laboratory of Separation and Reaction Engineering, Associate Laboratory LSRE/LCM, Department of Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias s/n. 4200-465 Porto (Portugal)
2010-08-15
The Gibbs free energy of transfer of a suitable hydrophobic probe can be regarded as a measure of the relative hydrophobicity of the different phases. The methylene group (CH{sub 2}) can be considered hydrophobic, and thus be a suitable probe for hydrophobicity. In this work, the partition coefficients of a series of five dinitrophenylated-amino acids were experimentally determined, at 23 {sup o}C, in three different tie-lines of the biphasic systems: (UCON + K{sub 2}HPO{sub 4}), (UCON + potassium phosphate buffer, pH 7), (UCON + KH{sub 2}PO{sub 4}), (UCON + Na{sub 2}HPO{sub 4}), (UCON + sodium phosphate buffer, pH 7), and (UCON + NaH{sub 2}PO{sub 4}). The Gibbs free energy of transfer of CH{sub 2} units were calculated from the partition coefficients and used to compare the relative hydrophobicity of the equilibrium phases. The largest relative hydrophobicity was found for the ATPS formed by dihydrogen phosphate salts.
Shape minimization of the dissipated energy in dyadic trees
De La Sablonière, Xavier Dubois; Privat, Yannick
2010-01-01
In this paper, we study the role of boundary conditions on the optimal shape of a dyadic tree in which flows a Newtonian fluid. Our optimization problem consists in finding the shape of the tree that minimizes the viscous energy dissipated by the fluid with a constrained volume, under the assumption that the total flow of the fluid is conserved throughout the structure. These hypotheses model situations where a fluid is transported from a source towards a 3D domain into which the transport network also spans. Such situations could be encountered in organs like for instance the lungs and the vascular networks. Two fluid regimes are studied: (i) low flow regime (Poiseuille) in trees with an arbitrary number of generations using a matricial approach and (ii) non linear flow regime (Navier-Stokes, moderate regime with a Reynolds number $100$) in trees of two generations using shape derivatives in an augmented Lagrangian algorithm coupled with a 2D/3D finite elements code to solve Navier-Stokes equations. It relie...
Free-energy Minimization and The Dark Room Problem
Karl eFriston
2012-05-01
Full Text Available Recent years have seen the emergence of an important new fundamental theory of brain function. This theory brings information-theoretic, Bayesian, neuroscientific, and machine learning approaches into a single framework whose overarching principle is the minimization of surprise (or, equivalently, the maximization of expectation. The most comprehensive such treatment is the ‘free energy minimization’ formulation due to Karl Friston (see e.g. Friston and Stephan (2007, Friston (2010 – see also Thornton (2010, Fiorillo (2010 A recurrent puzzle raised by critics of these models is that biological systems do not seem to avoid surprises. We do not simply seek a dark, unchanging chamber and stay there. This is the ‘Dark Room Problem’. Here, we describe the problem and further unpack the issues to which it speaks. Using the same format as the prologue of Eddington’s Space, Time and Gravitation (Eddington 1920 we present our discussion as a conversation between:An Information THEORIST (ThorntonA PHYSICIST (Friston A PHILOSOPHER (Clark
Gibbs Ensembles of Nonintersecting Paths
Borodin, Alexei
2008-01-01
We consider a family of determinantal random point processes on the two-dimensional lattice and prove that members of our family can be interpreted as a kind of Gibbs ensembles of nonintersecting paths. Examples include probability measures on lozenge and domino tilings of the plane, some of which are non-translation-invariant. The correlation kernels of our processes can be viewed as extensions of the discrete sine kernel, and we show that the Gibbs property is a consequence of simple linear relations satisfied by these kernels. The processes depend on infinitely many parameters, which are closely related to parametrization of totally positive Toeplitz matrices.
Lu, Shih-I
2009-11-15
In this article, we examined the Gibbs energy of activation for the Z/E thermal isomerization reaction of (1Z)-acetaldehyde hydrazone and (1Z)-acetaldehyde N,N-dimethylhydrazone, at 298.15 K in the solvent of cyclohexane. We carried out computations employing both the Gaussian-4 (G4) theory and the coupled cluster method using both single and double substitutions and triple excitations noniteratively, CCSD(T). The CCSD(T) energy is extrapolated to the complete basis set (CBS). We compared the calculated results to the available experimental observation. It appeared that both G4 and CCSD(T)/CBS computations overestimated the experimental value by as much as about 6 and 12 kcal/mol in the present two cases. We discussed possible sources of error and proposed the experimental kinetic data could be questionable.
Ahmad, Enas M.
2013-05-15
Modern smartphones are being designed with increasing processing power, memory capacity, network communication, and graphics performance. Although all of these features are enriching and expanding the experience of a smartphone user, they are significantly adding an overhead on the limited energy of the battery. This thesis aims at enhancing the energy efficiency of modern smartphones and increasing their battery life by minimizing the energy consumption of smartphones Graphical Processing Unit (GPU). Smartphone operating systems are becoming fully hardware-accelerated, which implies relying on the GPU power for rendering all application graphics. In addition, the GPUs installed in smartphones are becoming more and more powerful by the day. This raises an energy consumption concern. We present a novel implementation of GPU Scaling Governors, a Dynamic Voltage and Frequency Scaling (DVFS) scheme implemented in the Android kernel to dynamically scale the GPU. The scheme includes four main governors: Performance, Powersave, Ondmand, and Conservative. Unlike previous studies which looked into the power efficiency of mobile GPUs only through simulation and power estimations, we have implemented our approach on a real modern smartphone GPU, and acquired actual energy measurements using an external power monitor. Our results show that the energy consumption of smartphones can be reduced up to 15% using the Conservative governor in 2D rendering mode, and up to 9% in 3D rendering mode, with minimal effect on the performance.
Zhang, Jun; Gu, Zhenghui; Yu, Zhu Liang; Li, Yuanqing
2015-03-01
Low energy consumption is crucial for body area networks (BANs). In BAN-enabled ECG monitoring, the continuous monitoring entails the need of the sensor nodes to transmit a huge data to the sink node, which leads to excessive energy consumption. To reduce airtime over energy-hungry wireless links, this paper presents an energy-efficient compressed sensing (CS)-based approach for on-node ECG compression. At first, an algorithm called minimal mutual coherence pursuit is proposed to construct sparse binary measurement matrices, which can be used to encode the ECG signals with superior performance and extremely low complexity. Second, in order to minimize the data rate required for faithful reconstruction, a weighted ℓ1 minimization model is derived by exploring the multisource prior knowledge in wavelet domain. Experimental results on MIT-BIH arrhythmia database reveals that the proposed approach can obtain higher compression ratio than the state-of-the-art CS-based methods. Together with its low encoding complexity, our approach can achieve significant energy saving in both encoding process and wireless transmission.
VARIATIONAL PRINCIPLE FOR FUZZY GIBBS MEASURES
Verbitskiy, Evgeny
2010-01-01
In this paper we study a large class of renormalization transformations of measures on lattices. An image of a Gibbs measure under such transformation is called a fuzzy Gibbs measure. Transformations of this type and fuzzy Gibbs measures appear naturally in many fields. Examples include the hidden M
Steele, W. V.; Chirico, R. D.
1989-06-01
Ideal-gas thermodynamic properties for indoline and 2-methylindole based on accurate calorimetric measurements (between 300 to 500 K and 300 to 700 K, respectively) were determined; well into the range of typical chemical process temperatures. The calorimetrically derived values provide a firm basis for the prediction of thermodynamic properties for a large family of structures including many substituted indoles and indolines. Critical-temperature/density measurements obtained using a differential scanning calorimeter (DSC) are reported for 2-methylindole. A critical pressure and acentric factor are derived for 2-methylindole. Group-additivity estimation methods are employed to estimate the Gibbs energies of formation for the reactants, intermediates, and products in a reaction scheme for the hydrodenitrogenation (HDN) of indole. Thermodynamic equilibria calculations on the indole/indoline/hydrogen system are compared with experimental batch-reaction measurements reported in the literature. The interplay between thermodynamics and kinetics in the HDN of indole is discussed. 41 refs., 11 figs., 23 tabs.
Hassein-bey-Larouci, A., E-mail: hasseinbey@yahoo.fr [Laboratoire Thermodynamique et Modélisation Moléculaire, Faculté de Chimie, Université des Sciences et de la Technologie Houari Boumediene, B.P. 32, El-Alia, 16111 Bab-Ezzouar, Alger (Algeria); Igoujilen, O.; Aitkaci, A. [Laboratoire Thermodynamique et Modélisation Moléculaire, Faculté de Chimie, Université des Sciences et de la Technologie Houari Boumediene, B.P. 32, El-Alia, 16111 Bab-Ezzouar, Alger (Algeria); Segovia, J.J.; Villamañán, M.A. [TERMOCAL Research Group, Escuela de Ingenierías Industriales, Universidad de Valladolid, Paseo del Cauce, 59, 47011 Valladolid (Spain)
2014-08-10
Highlights: • Many engineering applications require quantitative thermodynamic data of the fluids. • Excess properties of mixtures are important in the understanding of mixing process. • The results are used to explain the molecular interaction in the mixtures. - Abstract: Dynamic and kinematic viscosities, and densities of the ternary mixture {x_1 propanol + x_2 DMF + x_3 chloroform} and of the three corresponding binary systems have been measured at 293.15, 303.15, 313.15 and 323.15 K and atmospheric pressure. The thermophysical properties, viscosity deviations (Δη), kinematic viscosity (γ), excess Gibbs energies of activation of viscous flow (G*{sup E}) and excess molar volumes (V{sup E}) have been calculated from experimental values of dynamic viscosity, η, and density, ρ. The different results have been correlated by the Redlich–Kister equation for the binary mixtures and the Cibulka equation for equation for the ternary ones.
Gershanov, V. Yu.; Garmashov, S. I.
2015-01-01
We prove the existence of an effect inverse to the Gibbs-Thomson effect for mass transfer in systems consisting of a solid phase and the solution of the solid phase material in a certain solvent. The effect involves a change in the shape of the interface due to a variation of the equilibrium concentrations under it, which is induced by external conditions, and exists in the presence of a negative feedback for mass transfer associated with capillary effects.
Minimizing energy consumption of accelerators and storage ring facilities
Barton, M. Q.; Gerke, H.; Loew, G. A.; Lundy, R. A.; Schnell, W.
1980-01-01
The discussion of energy usage falls naturally into three parts. The first is a review of what the problem is, the second is a description of steps that can be taken to conserve energy at existing facilities, and the third is a review of the implications of energy consumption on future facilities.
Effective Floquet-Gibbs states for dissipative quantum systems
Shirai, Tatsuhiko; Thingna, Juzar; Mori, Takashi; Denisov, Sergey; Hänggi, Peter; Miyashita, Seiji
2016-05-01
A periodically driven quantum system, when coupled to a heat bath, relaxes to a non-equilibrium asymptotic state. In the general situation, the retrieval of this asymptotic state presents a rather non-trivial task. It was recently shown that in the limit of an infinitesimal coupling, using the so-called rotating wave approximation (RWA), and under strict conditions imposed on the time-dependent system Hamiltonian, the asymptotic state can attain the Gibbs form. A Floquet-Gibbs state is characterized by a density matrix which is diagonal in the Floquet basis of the system Hamiltonian with the diagonal elements obeying a Gibbs distribution, being parametrized by the corresponding Floquet quasi-energies. Addressing the non-adiabatic driving regime, upon using the Magnus expansion, we employ the concept of a corresponding effective Floquet Hamiltonian. In doing so we go beyond the conventionally used RWA and demonstrate that the idea of Floquet-Gibbs states can be extended to the realistic case of a weak, although finite system-bath coupling, herein termed effective Floquet-Gibbs states.
Cupolas minimize the energy required to melt ferrous alloys
Draper, A B
1979-05-01
Historically the cupola has been the most effective furnace for melting cast irons. Although its supremacy was challenged by electric melting furnaces in the 1960's, persisting energy scarcity and high cost have encouraged a resurgence of interest in cupola technology. Using the optimum design features of modern cupolas and the best melting practices, they can achieve melting efficiencies of 45% or more based on the energy value of the original coal. In contrast, electric melting only uses 21% of the energy in coal. Despite these facts, many foundrymen fear that there will be problems because of poor metallurgical control if they use cupolas. Yet experience has proven otherwise. In terms of energy conservation and economy it is better to use large cupolas as scrap melters in the steel industry. Yet there is still a deep rooted prejudice against the cupola plus basic oxygen furnace route to steel making.
Drivers of Bacterial Maintenance and Minimal Energy Requirements.
Kempes, Christopher P; van Bodegom, Peter M; Wolpert, David; Libby, Eric; Amend, Jan; Hoehler, Tori
2017-01-01
Microbes maintain themselves through a variety of processes. Several of these processes can be reduced or shut down entirely when resource availability declines. In pure culture conditions with ample substrate supply, a relationship between the maximum growth rate and the energy invested in maintenance has been reported widely. However, at the other end of the resources spectrum, bacteria are so extremely limited by energy that no growth occurs and metabolism is constrained to the most essential functions only. These minimum energy requirements have been called the basal power requirement. While seemingly different from each other, both aspects are likely components of a continuum of regulated maintenance processes. Here, we analyze cross-species tradeoffs in cellular physiology over the range of bacterial size and energy expenditure and determine the contributions to maintenance metabolism at each point along the size-energy spectrum. Furthermore, by exploring the simplest bacteria within this framework- which are most affected by maintenance constraints- we uncover which processes become most limiting. For the smallest species, maintenance metabolism converges on total metabolism, where we predict that maintenance is dominated by the repair of proteins. For larger species the relative costs of protein repair decrease and maintenance metabolism is predicted to be dominated by the repair of RNA components. These results provide new insights into which processes are likely to be regulated in environments that are extremely limited by energy.
Discretized energy minimization in a wave guide with point sources
Propst, G.
1994-01-01
An anti-noise problem on a finite time interval is solved by minimization of a quadratic functional on the Hilbert space of square integrable controls. To this end, the one-dimensional wave equation with point sources and pointwise reflecting boundary conditions is decomposed into a system for the two propagating components of waves. Wellposedness of this system is proved for a class of data that includes piecewise linear initial conditions and piecewise constant forcing functions. It is shown that for such data the optimal piecewise constant control is the solution of a sparse linear system. Methods for its computational treatment are presented as well as examples of their applicability. The convergence of discrete approximations to the general optimization problem is demonstrated by finite element methods.
Probing gravitational non-minimal coupling with dark energy surveys
Geng, Chao-Qiang; Lee, Chung-Chi; Wu, Yi-Peng
2017-03-01
We investigate observational constraints on a specific one-parameter extension to the minimal quintessence model, where the quintessence field acquires a quadratic coupling to the scalar curvature through a coupling constant ξ . The value of ξ is highly suppressed in typical tracker models if the late-time cosmic acceleration is driven at some field values near the Planck scale. We test ξ in a second class of models in which the field value today becomes a free model parameter. We use the combined data from type-Ia supernovae, cosmic microwave background, baryon acoustic oscillations and matter power spectrum, to weak lensing measurements and find a best-fit value ξ {>}0.289 where ξ = 0 is excluded outside the 95% confidence region. The effective gravitational constant G_eff subject to the hint of a non-zero ξ is constrained to -0.003Solar System tests.
Entropic measure to prevent energy over-minimization in molecular dynamics simulations
Rydzewski, Jakub; Nowak, Wieslaw
2015-01-01
Geometry optimization via energy minimization is one of the most common steps in computer modelling of biological structures. Nowadays computer power encourage numerous researches to use conjugated gradient minimizations exceeding 1000 steps. However, our research reveals that such over-minimization may lead to thermodynamically unstable conformations. We show that these conformations are not optimum starting points for equilibrium molecular dynamics simulations. We propose a measure based on the Pareto front of total entropy for quality assessment of minimized protein which warrants a proper selection of minimization steps.
Portfolio management : minimizing energy costs in an open access market
Greenberg, P. [U.S. Generating Company (United States)
1998-09-01
This presentation addressed the issue of evolving market structures for electric utilities, discussed portfolio management in an open access market and enumerated critical abilities that will be required for success in the new marketplace. Viewgraphs provided information regarding the current retail restructuring landscape and merchant plant activity by region. Bar graphs were included to represent the growth of power marketing and the results of utility divestiture auctions. Critical capabilities to successfully optimize a competitive energy portfolio, including functional integration, teamwork and goals alignment, the aggressive use of information technology, liquidity, and risk management, were discussed at length. As an example of the new approach, the structure and operating plans of PG and E, one of the largest unregulated energy trading company in the U.S., were reviewed. In brief, the company plans to be aggressive in all competitive energy markets, to focus on asset development and acquisition, and to gain liquidity through trading and marketing. 16 figs.
Twisted tubular photobioreactor fluid dynamics evaluation for energy consumption minimization
Gómez-Pérez, C.A.; Espinosa Oviedo, J.J.; Montenegro Ruiz, L.C.; Boxtel, van A.J.B.
2017-01-01
This paper discusses a new tubular PhotoBioReactor (PBR) called twisted tubular PBR. The geometry of a twisted tubular PBR induces swirl mixing to guarantee good exposure of microalgae to Light-Dark (LD) cycles and to the nutrients and dissolved CO 2 . The paper analyses the energy uptake for fluid
Fast Energy Minimization of large Polymers Using Constrained Optimization
Todd D. Plantenga
1998-10-01
A new computational technique is described that uses distance constraints to calculate empirical potential energy minima of partially rigid molecules. A constrained minimuzation algorithm that works entirely in Cartesian coordinates is used. The algorithm does not obey the constraints until convergence, a feature that reduces ill-conditioning and allows constrained local minima to be computed more quickly than unconstrained minima. Computational speedup exceeds the 3-fold factor commonly obtained in constained molecular dynamics simulations, where the constraints must be strictly obeyed at all times.
Minimization of the energy costs for operating magnetic tunnel junctions
Farhat, Ilyas A. H.; Gale, E.; Isakovic, A. F.
2015-03-01
Increasing prospects of utilizing the STT-MRAM calls for the re-assessment of the overall energy (power) cost of operating magnetic tunnel junctions and related elements. This motivates our design, nanofabrication and characterization of simple tri-layer magnetic tunnel junctions which show measurable decrease in the operating energy cost. The MTJs we report about rely on nanoengineering interfaces between the insulating and magnetic layers in such a way that the area of the hysteresis loops can be controlled in one or both magnetic layers. Our TMR coefficient ranges from 45% to 130%, depending on the MTJ layer materials, and can be anticipated to be further increased. We also report the study of the TMR dependence on the RA product, as an important interface parameter. Lastly, we present an analysis of MTJ parameters affected by our approach and a perspective on further improvements, focusing on the device design parameters relevant for the integration of this type of MTJs. This work is supported by the SRC-ATIC Grant 2012-VJ-2335. A part of this work is being performed at Cornell University CNF, a member of NNIN. We thank CNF staff for the support.
Minimizing the water and air impacts of unconventional energy extraction
Jackson, R. B.
2014-12-01
Unconventional energy generates income and, done well, can reduce air pollution compared to other fossil fuels and even water use compared to fossil fuels and nuclear energy. Alternatively, it could slow the adoption of renewables and, done poorly, release toxic chemicals into water and air. Based on research to date, some primary threats to water resources come from surface spills, wastewater disposal, and drinking-water contamination through poor well integrity. For air resources, an increase in volatile organic compounds and air toxics locally is a potential health threat, but the switch from coal to natural gas for electricity generation will reduce sulfur, nitrogen, mercury, and particulate pollution regionally. Critical needs for future research include data for 1) estimated ultimate recovery (EUR) of unconventional hydrocarbons; 2) the potential for further reductions of water requirements and chemical toxicity; 3) whether unconventional resource development alters the frequency of well-integrity failures; 4) potential contamination of surface and ground waters from drilling and spills; and 5) the consequences of greenhouse gases and air pollution on ecosystems and human health.
Spinning gas clouds: III. Solutions of minimal energy with precession
Gaffet, B
2003-01-01
We consider the model of rotating and expanding gas cloud originally proposed by Ovsiannikov (1956 Dokl. Akad. Nauk SSSR 111 47) and Dyson (1968 J. Math. Mech. 18 91). Under the restricting assumptions of an adiabatic index gamma = 5/3 and of vorticity-free motion, this has been shown (Gaffet 2001 J. Phys. A: Math. Gen. 34 2097) to be a Liouville integrable Hamiltonian system. In the present work, we consider the precessing solutions where the cloud does not retain a fixed rotation axis. Choosing for definiteness a particular set of constants of motion (which corresponds to a minimum of the energy), we show that a separation of variables occurs, and that the equations of motion are reducible to the form of a Riccati equation, whose integration merely involves an elliptic integral.
Spinning gas clouds: III. Solutions of minimal energy with precession
Gaffet, B.
2003-05-01
We consider the model of rotating and expanding gas cloud originally proposed by Ovsiannikov (1956 Dokl. Akad. Nauk SSSR 111 47) and Dyson (1968 J. Math. Mech. 18 91). Under the restricting assumptions of an adiabatic index gamma = 5/3 and of vorticity-free motion, this has been shown (Gaffet 2001 J. Phys. A: Math. Gen. 34 2097) to be a Liouville integrable Hamiltonian system. In the present work, we consider the precessing solutions where the cloud does not retain a fixed rotation axis. Choosing for definiteness a particular set of constants of motion (which corresponds to a minimum of the energy), we show that a separation of variables occurs, and that the equations of motion are reducible to the form of a Riccati equation, whose integration merely involves an elliptic integral.
Dark Energy Model with Non-Minimal Coupling and Cosmological Constant Boundary
张晓菲
2011-01-01
In this paper, we study a kind of dark energy models in the framework of the non-minimal coupling. With this kind of models, dark energy could cross the cosmological constant boundary, and at early time, dark energy could have ＂tracking＂ behavior.
A new method of constructing energy momentum tensor of non-minimally coupled theories
Mukherjee, Pradip; Roy, Amit Singha
2016-01-01
A new method of constructing conserved energy momentum tensor of non minimally coupled theories is developed from first principles. This method is based on Noether procedure in the locally inertial system.
Topologically stratified energy minimizers in a product Abelian field theory
Xiaosen Han
2015-09-01
Full Text Available We study a recently developed product Abelian gauge field theory by Tong and Wong hosting magnetic impurities. We first obtain a necessary and sufficient condition for the existence of a unique solution realizing such impurities in the form of multiple vortices. We next reformulate the theory into an extended model that allows the coexistence of vortices and anti-vortices. The two Abelian gauge fields in the model induce two species of magnetic vortex-lines resulting from Ns vortices and Ps anti-vortices (s=1,2 realized as the zeros and poles of two complex-valued Higgs fields, respectively. An existence theorem is established for the governing equations over a compact Riemann surface S which states that a solution with prescribed N1, N2 vortices and P1,P2 anti-vortices of two designated species exists if and only if the inequalities |N1+N2−(P1+P2|<|S|π,|N1+2N2−(P1+2P2|<|S|π, hold simultaneously, which give bounds for the ‘differences’ of the vortex and anti-vortex numbers in terms of the total surface area of S. The minimum energy of these solutions is shown to assume the explicit value E=4π(N1+N2+P1+P2, given in terms of several topological invariants, measuring the total tension of the vortex-lines.
Topologically Stratified Energy Minimizers in a Product Abelian Field Theory
Han, Xiaosen
2015-01-01
The recently developed product Abelian gauge field theory by Tong and Wong hosting magnetic impurities is reformulated into an extended model that allows the coexistence of vortices and anti-vortices. The two Abelian gauge fields in the model induce two species of magnetic vortex-lines resulting from $N_s$ vortices and $P_s$ anti-vortices ($s=1,2$) realized as the zeros and poles of two complex-valued Higgs fields, respectively. An existence theorem is established for the governing equations over a compact Riemann surface $S$ which states that a solution with prescribed $N_1, N_2$ vortices and $P_1,P_2$ anti-vortices of two designated species exists if and only if the inequalities \\[ \\left|N_1+N_2-(P_1+P_2)\\right|<\\frac{|S|}{\\pi},\\quad \\left|N_1+2N_2-(P_1+2P_2)\\right|<\\frac{|S|}{\\pi}, \\] hold simultaneously, which give bounds for the `differences' of the vortex and anti-vortex numbers in terms of the total surface area of $S$. The minimum energy of these solutions is shown to assume the explicit value \\...
ZANG Shaoxian; JIANG Yan; WEI Rongqiang
2003-01-01
Based on energy minimizing approach of bound theory, the influence of the distribution of constituent minerals on rheological property of rocks is discussed. Energy minimizing approach independent of the bound theory is advanced after the constraint condition is improved. The strength of four multiphase rocks is calculated with the new empirical rheological law. Results indicate that the new law has a reasonable physical explanation and fits the experimental data very well.
Dynamical Gibbs-non-Gibbs transitions : a study via coupling and large deviations
Wang, Feijia
2012-01-01
In this thesis we use both the two-layer and the large-deviation approach to study the conservation and loss of the Gibbs property for both lattice and mean-field spin systems. Chapter 1 gives general backgrounds on Gibbs and non-Gibbs measures and outlines the the two-layer and the large-deviation
Transportation inequalities: From Poisson to Gibbs measures
Ma, Yutao; Wang, Xinyu; Wu, Liming; 10.3150/00-BEJ268
2011-01-01
We establish an optimal transportation inequality for the Poisson measure on the configuration space. Furthermore, under the Dobrushin uniqueness condition, we obtain a sharp transportation inequality for the Gibbs measure on $\\mathbb{N}^{\\Lambda}$ or the continuum Gibbs measure on the configuration space.
Holmes, Richard D.; O'Neill, Hugh St. C.; Arculus, Richard J.
1986-11-01
Galvanic cells with oxygen-specific solid electrolytes made of calcia-stabilized zirconia have been used to make equilibrium measurements of the standard Gibbs free energy of formation, ΔfG0m,( T), for copper (I) oxide (Cu 2O), nickel (II) oxide (NiO), cobalt (II) oxide (CoO), and wüstite (Fe xO) over the temperature range from 900-1400 K. The measured values of ΔfG0m at 1300 K are -73950, -123555, -142150, and -179459 J · mol -1 for Cu 2O, NiO, CoO, and Fe 0.947O, respectively. The precision of these measurements is ± 30-60 J · mol -1, and their absolute accuracy is estimated to be ± 100-200 J·mol -1. Using values of -76.557, -94.895, -79.551, and -71.291 J · K -1 · mol -1 for the entropies of formation, ΔfSm0, (298.15 K), the calculated enthalpies of formation, ΔfHm0, (298.15 K), are -170508, -240110, -237390, and -266458 J · mol -1 for Cu 2O, NiO, CoO, and Fe 0.947O, respectively. These values of ΔfSm0 (298.15 K) and ΔfHm0 (298.15 K) are in good agreement with the best available calorimetric measurements.
Deviations from Boltzmann-Gibbs Statistics in Confined Optical Lattices.
Dechant, Andreas; Kessler, David A; Barkai, Eli
2015-10-23
We investigate the semiclassical phase-space probability distribution P(x,p) of cold atoms in a Sisyphus cooling lattice with an additional harmonic confinement. We pose the question of whether this nonequilibrium steady state satisfies the equivalence of energy and probability. This equivalence is the foundation of Boltzmann-Gibbs and generalized thermostatic statistics, and a prerequisite for the description in terms of a temperature. At large energies, P(x,p) depends only on the Hamiltonian H(x,p) and the answer to the question is yes. In distinction to the Boltzmann-Gibbs state, the large-energy tails are power laws P(x,p)∝H(x,p)(-1/D), where D is related to the depth of the optical lattice. At intermediate energies, however, P(x,p) cannot be expressed as a function of the Hamiltonian and the equivalence between energy and probability breaks down. As a consequence the average potential and kinetic energy differ and no well-defined temperature can be assigned. The Boltzmann-Gibbs state is regained only in the limit of deep optical lattices. For strong confinement relative to the damping, we derive an explicit expression for the stationary phase-space distribution.
Szeliski, Richard; Zabih, Ramin; Scharstein, Daniel; Veksler, Olga; Kolmogorov, Vladimir; Agarwala, Aseem; Tappen, Marshall; Rother, Carsten
2008-06-01
Among the most exciting advances in early vision has been the development of efficient energy minimization algorithms for pixel-labeling tasks such as depth or texture computation. It has been known for decades that such problems can be elegantly expressed as Markov random fields, yet the resulting energy minimization problems have been widely viewed as intractable. Recently, algorithms such as graph cuts and loopy belief propagation (LBP) have proven to be very powerful: for example, such methods form the basis for almost all the top-performing stereo methods. However, the tradeoffs among different energy minimization algorithms are still not well understood. In this paper we describe a set of energy minimization benchmarks and use them to compare the solution quality and running time of several common energy minimization algorithms. We investigate three promising recent methods graph cuts, LBP, and tree-reweighted message passing in addition to the well-known older iterated conditional modes (ICM) algorithm. Our benchmark problems are drawn from published energy functions used for stereo, image stitching, interactive segmentation, and denoising. We also provide a general-purpose software interface that allows vision researchers to easily switch between optimization methods. Benchmarks, code, images, and results are available at http://vision.middlebury.edu/MRF/.
Pimentel-Filho, Natan de Jesus; Martins, Mayra Carla de Freitas; Nogueira, Guilherme Bicalho; Mantovani, Hilário Cuquetto; Vanetti, Maria Cristina Dantas
2014-11-03
Staphylococcus aureus is an opportunistic pathogen often multidrug-resistant that not only causes a variety of human diseases, but also is able to survive on biotic and abiotic surfaces through biofilm communities. The best way to inhibit biofilm establishment is to prevent cell adhesion. In the present study, subinhibitory concentrations of the bacteriocins bovicin HC5 and nisin were tested for their capability to interfere with the adhesion of S. aureus to polystyrene. Subinhibitory dosages of the bacteriocins reduced cell adhesion and this occurred probably due to changes in the hydrophobicity of the bacterial cell and polystyrene surfaces. After treatment with bovicin HC5 and nisin, the surfaces became more hydrophilic and the free energy of adhesion (∆G(adhesion)) between bacteria and the polystyrene surface was unfavorable. The transcriptional level of selected genes was assessed by RT-qPCR approach, revealing that the bacteriocins affected the expression of some important biofilm associated genes (icaD, fnbA, and clfB) and rnaIII, which is involved in the quorum sensing mechanism. The conditioning of food-contact surfaces with bacteriocins can be an innovative and powerful strategy to prevent biofilms in the food industry. The results are relevant for food safety as they indicate that bovicin HC5 and nisin can inhibit bacterial adhesion and consequent biofilm establishment, since cell adhesion precedes biofilm formation.
Electron-electron correlations in square-well quantum dots: direct energy minimization approach.
Goto, Hidekazu; Hirose, Kikuji
2011-04-01
Electron-electron correlations in two-dimensional square-well quantum dots are investigated using the direct energy minimization scheme. Searches for groundstate charges and spin configurations are performed with varying the sizes of dots and the number of electrons. For a two-electron system, a standout difference between the configurations with and without counting correlation energy is demonstrated. The emergence and melting of Wigner-molecule-like structures arising from the interplay between the kinetic energy and Coulombic interaction energy are described. Electron-electron correlation energies and addition energy spectra are calculated, and special electron numbers related to peculiar effects of the square well are extracted.
Gibbs-Thomson effect in nanocrystalline Fe-Ge
Sarkar, S.; Bansal, C.; Chatterjee, Ashok
2000-08-01
We studied the phase transformation behavior of chemically disordered bcc (α) phase Fe1-xGex alloys near the Fe3Ge stoichiometry synthesized in the nanocrystalline state by mechanical alloying of the elemental constituents. The evolution of the equilibrium L12 ordered (ɛ') phase was seen to occur via a metastable DO3-ordered (α1) phase, but a significant α1-->ɛ' phase transformation took place only after the growth of the grains. This behavior is understood with the help of a capillary effect or the Gibbs-Thomson effect wherein the grain boundary energy of the nanosize grains raises the Gibbs free energy of the ɛ' phase relative to the α1 phase for small sizes and the ɛ' phase grows only after a certain grain size is reached.
Three-Dimensional Dirac Oscillator with Minimal Length: Novel Phenomena for Quantized Energy
Malika Betrouche
2013-01-01
Full Text Available We study quantum features of the Dirac oscillator under the condition that the position and the momentum operators obey generalized commutationrelations that lead to the appearance of minimal length with the order of the Planck length, ∆xmin=ℏ3β+β′, where β and β′ are two positive small parameters. Wave functions of the system and the corresponding energy spectrum are derived rigorously. The presence of the minimal length accompanies a quadratic dependence of the energy spectrum on quantum number n, implying the property of hard confinement of the system. It is shown that the infinite degeneracy of energy levels appearing in the usual Dirac oscillator is vanished by the presence of the minimal length so long as β≠0. Not only in the nonrelativistic limit but also in the limit of the standard case (β=β′=0, our results reduce to well known usual ones.
Non-minimal coupling of torsion-matter satisfying null energy condition for wormhole solutions
Jawad, Abdul; Rani, Shamaila [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan)
2016-12-15
We explore wormhole solutions in a non-minimal torsion-matter coupled gravity by taking an explicit non-minimal coupling between the matter Lagrangian density and an arbitrary function of the torsion scalar. This coupling describes the transfer of energy and momentum between matter and torsion scalar terms. The violation of the null energy condition occurred through an effective energy-momentum tensor incorporating the torsion-matter non-minimal coupling, while normal matter is responsible for supporting the respective wormhole geometries. We consider the energy density in the form of non-monotonically decreasing function along with two types of models. The first model is analogous to the curvature-matter coupling scenario, that is, the torsion scalar with T-matter coupling, while the second one involves a quadratic torsion term. In both cases, we obtain wormhole solutions satisfying the null energy condition. Also, we find that the increasing value of the coupling constant minimizes or vanishes on the violation of the null energy condition through matter. (orig.)
Duijns, Sjoerd; van Dijk, Jacintha G. B.; Spaans, Bernard; Jukema, Joop; de Boer, Willem F.; Piersma, Theunis
2009-01-01
Different spatial distributions Of food abundance and predators may urge birds to make a trade-off between food intake and danger. Such a trade-off might be solved in different ways in migrant birds that either follow a time-minimizing or energy-minimizing strategy; these strategies have been
Duijns, S.; Dijk, van J.G.B.; Spaans, B.; Jukema, J.; Boer, de W.F.; Piersma, Th.
2009-01-01
Different spatial distributions of food abundance and predators may urge birds to make a trade-off between food intake and danger. Such a trade-off might be solved in different ways in migrant birds that either follow a time-minimizing or energy-minimizing strategy; these strategies have been
Tung, Raymond T.; Kronik, Leeor
2016-08-01
It is well known that the magnitude of band offset (BO) at any semiconductor heterojunction is directly derivable from the distribution of charge at that interface and that the latter is decided by a minimization of total energy. However, the fact that BO formation is governed by energy minimization has not been explicitly used in theoretical BO models, likely because the equilibrium charge densities at heterojunction interfaces appear difficult to predict, except via explicit calculation. In this paper, electron densities at a large number of (100), (110), and (111) oriented heterojunctions between lattice-matched, isovalent semiconductors with the zinc blende (ZB) structure have been calculated by first-principles methods and analyzed in detail for possible common characteristics among energy-minimized densities. Remarkably, the heterojunction electron density was found to largely depend only on the immediate, local atomic arrangement. In fact, it is so much so that a juxtaposition of local electron-densities generated in oligo-cells (LEGOs) accurately reproduced the charge densities that minimize the energy for the heterojunctions. Furthermore, the charge distribution for each bulk semiconductor was found to display a striking separability of its electrostatic effect into two neutral parts, associated with the cation and the anion, which are approximately transferrable among semiconductors. These discoveries form the basis of a neutral polyhedra theory (NPT) that approximately predicts the equilibrium charge density and BO of relaxed heterojunctions from the energy minimization requirement. Well-known experimentally observed characteristics of heterojunctions, such as the insensitivity of BO to heterojunction orientation and the identity of interface bonds, the transitivity rule, etc., are all in good agreement with the NPT. Therefore, energy minimization, which essentially decides the electronic properties of all other solid and molecular systems, also governs
Green Energy in New Construction: Maximize Energy Savings and Minimize Cost
Ventresca, Joseph
2010-01-01
People often use the term "green energy" to refer to alternative energy technologies. But green energy doesn't guarantee maximum energy savings at a minimum cost--a common misconception. For school business officials, green energy means getting the lowest energy bills for the lowest construction cost, which translates into maximizing green energy…
Patankar, Neelesh A
2010-06-01
Recent experimental work has successfully revealed pressure induced transition from Cassie to Wenzel state on rough hydrophobic substrates. Formulas, based on geometric considerations and imposed pressure, have been developed as transition criteria. In the past, transition has also been considered as a process of overcoming the energy barrier between the Cassie and Wenzel states. A unified understanding of the various considerations of transition has not been apparent. To address this issue, in this work, we consolidate the transition criteria with a homogenized energy minimization approach. This approach decouples the problem of minimizing the energy to wet the rough substrate, from the energy of the macroscopic drop. It is seen that the transition from Cassie to Wenzel state, due to depinning of the liquid-air interface, emerges from the approximate energy minimization approach if the pressure-volume energy associated with the impaled liquid in the roughness is included. This transition can be viewed as a process in which the work done by the pressure force is greater than the barrier due to the surface energy associated with wetting the roughness. It is argued that another transition mechanism, due to a sagging liquid-air interface that touches the bottom of the roughness grooves, is not typically relevant if the substrate roughness is designed such that the Cassie state is at lower energy compared to the Wenzel state.
Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies
Christensen, I T; Jørgensen, Flemming Steen
1997-01-01
A general strategy for performing energy minimization of proteins using the SYBYL molecular modelling program has been developed. The influence of several variables including energy minimization procedure, solvation, dielectric function and dielectric constant have been investigated in order...... to develop a general method, which is capable of producing high quality protein structures. Avian pancreatic polypeptide (APP) and bovine pancreatic phospholipase A2 (BP PLA2) were selected for the calculations, because high quality X-ray structures exist and because all classes of secondary structure...
Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies
Christensen, I T; Jørgensen, Flemming Steen
1997-01-01
A general strategy for performing energy minimization of proteins using the SYBYL molecular modelling program has been developed. The influence of several variables including energy minimization procedure, solvation, dielectric function and dielectric constant have been investigated in order...... evaluated by the length on hydrogen bonds. The dimensions of active site in BP PLA2 is very dependent on electrostatic interactions, due to the presence of the positively charged calcium ion. Thus, the distances between calcium and the calcium-coordinating groups were used as a quality index...
From slump loss to Gibbs' free energy
Jensen, Ole Mejlhede; Diamond, Sidney
2006-01-01
In its classical form, the science of construction materials is a descriptive, empirical discipline related to certain types of materials, e.g. the study of the properties of wood, steel, concrete and plastics. This traditional division of the science into the separate study of the different mate...
Smart HVAC Control in IoT: Energy Consumption Minimization with User Comfort Constraints
Jordi Serra
2014-01-01
of heating, ventilation, and air conditioning (HVAC systems in smart grids with variable energy price. To that end, first, we propose an energy scheduling method that minimizes the energy consumption cost for a particular time interval, taking into account the energy price and a set of comfort constraints, that is, a range of temperatures according to user’s preferences for a given room. Then, we propose an energy scheduler where the user may select to relax the temperature constraints to save more energy. Moreover, thanks to the IoT paradigm, the user may interact remotely with the HVAC control system. In particular, the user may decide remotely the temperature of comfort, while the temperature and energy consumption information is sent through Internet and displayed at the end user’s device. The proposed algorithms have been implemented in a real testbed, highlighting the potential gains that can be achieved in terms of both energy and cost.
Teardrop shapes minimize bending energy of fusion pores connecting planar bilayers
Ryham, Rolf J.; Ward, Mark A.; Cohen, Fredric S.
2013-12-01
A numerical gradient flow procedure was devised to characterize minimal energy shapes of fusion pores connecting two parallel planar bilayer membranes. Pore energy, composed of splay, tilt, and stretching, was obtained by modeling each bilayer as two monolayers and treating each monolayer of a bilayer membrane as a freely deformable surface described with a mean lipid orientation field. Voids between the two monolayers were prevented by a steric penalty formulation. Pore shapes were assumed to possess both axial and reflectional symmetry. For fixed pore radius and bilayer separation, the gradient flow procedure was applied to initially toroidal pore shapes. Using initially elliptical pore shapes yielded the same final shape. The resulting minimal pore shapes and energies were analyzed as a function of pore dimension and lipid composition. Previous studies either assumed or confined pore shapes, thereby tacitly supplying an unspecified amount of energy to maintain shape. The shapes derived in the present study were outputs of calculations and an externally provided energy was not supplied. Our procedure therefore yielded energy minima significantly lower than those reported in prior studies. The membrane of minimal energy pores bowed outward near the pore lumen, yielding a pore length that exceeded the distance between the two fusing membranes.
Teleparallel dark energy with purely non-minimal coupling to gravity
Gu, Je-An, E-mail: jagu@ntu.edu.tw [Leung Center for Cosmology and Particle Astrophysics, National Taiwan University, Taipei, 10617, Taiwan (China); Lee, Chung-Chi, E-mail: g9522545@oz.nthu.edu.tw [Department of Physics, National Tsing Hua University, Hsinchu, 300, Taiwan (China); Geng, Chao-Qiang, E-mail: geng@phys.nthu.edu.tw [Department of Physics, National Tsing Hua University, Hsinchu, 300, Taiwan (China); National Center for Theoretical Sciences, Hsinchu, 300, Taiwan (China)
2013-01-08
We propose the simplest model of teleparallel dark energy with purely a non-minimal coupling to gravity but no self-potential, a single model possessing various interesting features: simplicity, self-potential-free, the guaranteed late-time cosmic acceleration driven by the non-minimal coupling to gravity, tracker behavior of the dark energy equation of state at earlier times, a crossing of the phantom divide at a late time, and the existence of a finite-time future singularity. We find the analytic solutions of the dark-energy scalar field respectively in the radiation, matter, and dark energy dominated eras, thereby revealing the above features. We further illustrate possible cosmic evolution patterns and present the observational constraint of this model obtained by numerical analysis and data fitting.
Raza, Nauman; Sial, Sultan; Siddiqi, Shahid S.
2009-04-01
The Sobolev gradient technique has been discussed previously in this journal as an efficient method for finding energy minima of certain Ginzburg-Landau type functionals [S. Sial, J. Neuberger, T. Lookman, A. Saxena, Energy minimization using Sobolev gradients: application to phase separation and ordering, J. Comput. Phys. 189 (2003) 88-97]. In this article a Sobolev gradient method for the related time evolution is discussed.
SOLUTIONS OF GINZBURG-LANDAU EQUATIONS WITH WEIGHT AND MINIMIZERS OF THE RENORMALIZED ENERGY
Kou Yanlei; Ding Shijin
2007-01-01
In this paper, it is proved that for any given d non-degenerate local minimum points of the renormalized energy of weighted Ginzburg-Landau eqautions, one can find solutions to the Ginzburg-Landau equations whose vortices tend to these d points. This provides the connections between solutions of a class of Ginzburg-Landau equations with weight and minimizers of the renormalized energy.
Herrmann, Michael
2010-01-01
We study heteroclinic standing waves (dark solitons) in discrete nonlinear Schr\\"{o}dinger equations with defocussing nonlinearity. Our main result is a quite elementary existence proof for waves with monotone and odd profile, and relies on minimizing an appropriately defined energy functional. We also study the continuum limit and the numerical approximation of standing waves.
Minimizing the Free Energy: A Computer Method for Teaching Chemical Equilibrium Concepts.
Heald, Emerson F.
1978-01-01
Presents a computer method for teaching chemical equilibrium concepts using material balance conditions and the minimization of the free energy. Method for the calculation of chemical equilibrium, the computer program used to solve equilibrium problems and applications of the method are also included. (HM)
Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation
Bernardo, Reginald Christian S.; Esguerra, Jose Perico H.
2016-10-01
The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl-Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl-Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl-Teller and Gaussian wells.
Energy levels of one-dimensional systems satisfying the minimal length uncertainty relation
Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph
2016-10-15
The standard approach to calculating the energy levels for quantum systems satisfying the minimal length uncertainty relation is to solve an eigenvalue problem involving a fourth- or higher-order differential equation in quasiposition space. It is shown that the problem can be reformulated so that the energy levels of these systems can be obtained by solving only a second-order quasiposition eigenvalue equation. Through this formulation the energy levels are calculated for the following potentials: particle in a box, harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well. For the particle in a box, the second-order quasiposition eigenvalue equation is a second-order differential equation with constant coefficients. For the harmonic oscillator, Pöschl–Teller well, Gaussian well, and double-Gaussian well, a method that involves using Wronskians has been used to solve the second-order quasiposition eigenvalue equation. It is observed for all of these quantum systems that the introduction of a nonzero minimal length uncertainty induces a positive shift in the energy levels. It is shown that the calculation of energy levels in systems satisfying the minimal length uncertainty relation is not limited to a small number of problems like particle in a box and the harmonic oscillator but can be extended to a wider class of problems involving potentials such as the Pöschl–Teller and Gaussian wells.
Pollakis, Emmanuel; Stańczak, Slawomir
2012-01-01
In this paper, we study the problem of reducing the energy consumption in a mobile communication network; we select the smallest set of active base stations that can preserve the quality of service (the minimum data rate) required by the users. In more detail, we start by posing this problem as an integer programming problem, the solution of which shows the optimal assignment (in the sense of minimizing the total energy consumption) between base stations and users. In particular, this solution shows which base stations can then be switched off or put in idle mode to save energy. However, solving this problem optimally is intractable in general, so in this study we develop a suboptimal approach that builds upon recent techniques that have been successfully applied to, among other problems, sparse signal reconstruction, portfolio optimization, statistical estimation, and error correction. More precisely, we relax the original integer programming problem as a minimization problem where the objective function is ...
Tracker Teleparallel Dark Energy with Purely Non-minimal Coupling to Gravity
Gu, Je-An; Geng, Chao-Qiang
2012-01-01
We investigate the teleparallel dark energy model with purely non-minimal coupling and without potential. We find the analytic solutions of the scalar field in the radiation, matter, and scalar field (or dark energy) dominated eras, respectively. These solutions indicate the tracker behavior in the radiation and matter dominated eras, while the equation of state $w_{\\phi}$ of the teleparallel dark energy is determined by the non-minimal coupling constant $\\xi$ but insensitive to the initial condition. In the scalar field dominated era, $w_{\\phi}$ monotonically decreases and goes to negative infinity at some finite time when $H$ goes to positive infinity, resulting in a future singularity. We also present the possible evolution patterns and the data fittings in this model.
Online Speed Scaling Based on Active Job Count to Minimize Flow Plus Energy
Lam, Tak-Wah; Lee, Lap Kei; To, Isaac K. K.;
2013-01-01
) that changes speed discretely. This is in contrast to the previous algorithms which change the speed continuously. More interestingly, AJC admits a better competitive ratio, and without using extra speed. In the second part, we extend the study to a more general speed scaling model where the processor can......This paper is concerned with online scheduling algorithms that aim at minimizing the total flow time plus energy usage. The results are divided into two parts. First, we consider the well-studied “simple” speed scaling model and show how to analyze a speed scaling algorithm (called AJC...... enter a sleep state to further save energy. A new sleep management algorithm called IdleLonger is presented. This algorithm, when coupled with AJC, gives the first competitive algorithm for minimizing total flow time plus energy in the general model....
Cooperative Content Distribution over Wireless Networks for Energy and Delay Minimization
Atat, Rachad
2012-06-01
Content distribution with mobile-to-mobile cooperation is studied. Data is sent to mobile terminals on a long range link then the terminals exchange the content using an appropriate short range wireless technology. Unicasting and multicasting are investigated, both on the long range and short range links. Energy minimization is formulated as an optimization problem for each scenario, and the optimal solutions are determined in closed form. Moreover, the schemes are applied in public safety vehicular networks, where Long Term Evolution (LTE) network is used for the long range link, while IEEE 802.11 p is considered for inter-vehicle collaboration on the short range links. Finally, relay-based multicasting is applied in high speed trains for energy and delay minimization. Results show that cooperative schemes outperform non-cooperative ones and other previous related work in terms of energy and delay savings. Furthermore, practical implementation aspects of the proposed methods are also discussed.
Energy Minimization for Liquid Crystal Equilibrium with Electric and Flexoelectric Effects
Adler, J H; Benson, T R; Emerson, D B; MacLachlan, S P
2014-01-01
This paper outlines an energy-minimization finite-element approach to the modeling of equilibrium configurations for nematic liquid crystals in the presence of internal and external electric fields. The method targets minimization of system free energy based on the electrically and flexoelectrically augmented Frank-Oseen free energy models. The Hessian, resulting from the linearization of the first-order optimality conditions, is shown to be invertible for both models when discretized by a mixed finite-element method under certain assumptions. This implies that the intermediate discrete linearizations are well-posed. A coupled multigrid solver with Vanka-type relaxation is proposed and numerically vetted for approximation of the solution to the linear systems arising in the linearizations. Two electric model numerical experiments are performed with the proposed iterative solver. The first compares the algorithm's solution of a classical Freedericksz transition problem to the known analytical solution and demo...
Variational description of Gibbs-non-Gibbs dynamical transitions for the Curie-Weiss model
Fernandez, R.; den Hollander, F.; Martinez, J.
2013-01-01
We perform a detailed study of Gibbs-non-Gibbs transitions for the Curie- Weiss model subject to independent spin-flip dynamics (“infinite-temperature” dynamics). We show that, in this setup, the program outlined in van Enter et al. (Moscow Math J 10:687–711, 2010) can be fully completed, namely, Gi
TCP over low-power and lossy networks: tuning the segment size to minimize energy consumption
Ayadi, Ahmed; Ros, David
2010-01-01
Low-power and Lossy Networks (LLNs), like wireless networks based upon the IEEE 802.15.4 standard, have strong energy constraints, and are moreover subject to frequent transmission errors, not only due to congestion but also to collisions and to radio channel conditions. This paper introduces an analytical model to compute the total energy consumption in an LLN due to the TCP protocol. The model allows us to highlight some tradeoffs as regards the choice of the TCP maximum segment size, of the Forward Error Correction (FEC) redundancy ratio, and of the number of link-layer retransmissions, in order to minimize the total energy consumption.
李春喜; 王子镐; 宋红艳
2001-01-01
Based on the thermodynamic definition of surface tension and UNIQUAC Gibbs free energy model,a two-parameter surface tension equation is derived. σm=∑ixiσi-RT∑i(xiqi)/(∑jθjτji)∑jθj(τji)/(A)T,P,x In this equation,the first term represents pure component contribution to the surface tension of a mixture,and the second term represents the excess surface tension due to the molecular interaction difference between different components. For ideal solution,the excess surface tension term disappeared,and the surface tension is equivalent to that of pure component averaged with mole fraction.The feasibility of the new equation has been tested for 90 binary and 15 multicomponent systems and the AAD is found to be 0.44% and 1.57%, respectively. Results showed good precision by using the developed equation with simplicity and reliability for practical uses.%根据表面张力的热力学定义以及UNIQUAC过量Gibbs自由能表达式,推导出了一个新的两参数表面张力方程，σm=∑ixiσi-RT∑i(xiqi)/(∑jθjτji)∑jθj(τji)/(A)T,P,x该方程第一项为纯组分对液体混合物表面张力的贡献，第二项为不同组分间作用力的差异引起的过量表面张力。对于理想溶液，过量表面张力项为零，因此，混合物的表面张力等于各个纯组分表面张力的摩尔分数平均值。通过90个二元体系和15个多元体系表面张力的计算，对新方程的性能进行了测试，发现其对二元体系和多元体系计算的总平均相对偏差分别为0.44%和1.57%。结果表明，该模型计算精度高，公式简单实用，而且对各种体系具有广泛的适应性。
Van Pelt, R. S.; Amidon, M. B.; Reboul, S. H.
2002-02-25
Environmental restoration activities at the Department of Energy Savannah River Site (SRS) utilize innovative site characterization approaches and technologies that minimize waste generation. Characterization is typically conducted in phases, first by collecting large quantities of inexpensive data, followed by targeted minimally invasive drilling to collect depth-discrete soil/groundwater data, and concluded with the installation of permanent multi-level groundwater monitoring wells. Waste-reducing characterization methods utilize non-traditional drilling practices (sonic drilling), minimally intrusive (geoprobe, cone penetrometer) and non-intrusive (3-D seismic, ground penetration radar, aerial monitoring) investigative tools. Various types of sensor probes (moisture sensors, gamma spectroscopy, Raman spectroscopy, laser induced and X-ray fluorescence) and hydrophobic membranes (FLUTe) are used in conjunction with depth-discrete sampling techniques to obtain high-resolution 3-D plume profiles. Groundwater monitoring (short/long-term) approaches utilize multi-level sampling technologies (Strata-Sampler, Cone-Sipper, Solinst Waterloo, Westbay) and low-cost diffusion samplers for seepline/surface water sampling. Upon collection of soil and groundwater data, information is portrayed in a Geographic Information Systems (GIS) format for interpretation and planning purposes. At the SRS, the use of non-traditional drilling methods and minimally/non intrusive investigation approaches along with in-situ sampling methods has minimized waste generation and improved the effectiveness and efficiency of characterization activities.
Irina Kliopova
2011-10-01
Full Text Available Lithuanian food and drink sector of industry is characterized by high energy intensity, which is 29% higher than the EU average. At the confectionary plant chosen for the experiment, an environmental impact has been controlled and its maximum managed by creating different procedures to reduce pollution. Assessment of the plant's environmental costs has revealed that the energy costs amount to main part of the environmental ones (up to 55.4%. In recent years several energy efficiency projects have been implemented allowing minimizing the plant's energy intensity up to 15%. An algorithm of feasibility analysis of increasing thermal energy efficiency of the plant was suggested which could also be applied to other food industry plants. Demand for heat energy within the plant was evaluated for each technological process; the fuel and energy balance of the plant boiler-house was drawn up. It was revealed that huge heat energy losses were made during heat energy production and usage. During the research period a control system of significant environmental aspects was suggested, its objective function was estimated. Several environmental alternatives were suggested for optimization of the heat energy production processes. Three projects were chosen for the feasibility analysis. Results of technical, economic and environmental evaluations of Cleaner Production (CP innovations as well as conclusions made are presented in this article.
Meneses, Anderson A.M. [Federal University of Western Para (Brazil); Physics Institute, Rio de Janeiro State University (Brazil); Giusti, Alessandro [IDSIA (Dalle Molle Institute for Artificial Intelligence), University of Lugano (Switzerland); Almeida, Andre P. de, E-mail: apalmeid@gmail.com [Physics Institute, Rio de Janeiro State University (Brazil); Nuclear Engineering Program, Federal University of Rio de Janeiro (Brazil); Nogueira, Liebert; Braz, Delson [Nuclear Engineering Program, Federal University of Rio de Janeiro (Brazil); Almeida, Carlos E. de [Radiological Sciences Laboratory, Rio de Janeiro State University (Brazil); Barroso, Regina C. [Physics Institute, Rio de Janeiro State University (Brazil)
2012-07-15
The research on applications of segmentation algorithms to Synchrotron Radiation X-Ray micro-Computed Tomography (SR-{mu}CT) is an open problem, due to the interesting and well-known characteristics of SR images, such as the phase contrast effect. The Energy Minimization via Graph Cuts (EMvGC) algorithm represents state-of-art segmentation algorithm, presenting an enormous potential of application in SR-{mu}CT imaging. We describe the application of the algorithm EMvGC with swap move for the segmentation of bone images acquired at the ELETTRA Laboratory (Trieste, Italy). - Highlights: Black-Right-Pointing-Pointer Microstructures of Wistar rats' ribs are investigated with Synchrotron Radiation {mu}CT imaging. Black-Right-Pointing-Pointer The present work is part of a research on the effects of radiotherapy on the thoracic region. Black-Right-Pointing-Pointer Application of the Energy Minimization via Graph Cuts algorithm for segmentation is described.
Sochi, Taha
2014-01-01
Several deterministic and stochastic multi-variable global optimization algorithms (Conjugate Gradient, Nelder-Mead, Quasi-Newton, and Global) are investigated in conjunction with energy minimization principle to resolve the pressure and volumetric flow rate fields in single ducts and networks of interconnected ducts. The algorithms are tested with seven types of fluid: Newtonian, power law, Bingham, Herschel-Bulkley, Ellis, Ree-Eyring and Casson. The results obtained from all those algorithms for all these types of fluid agree very well with the analytically derived solutions as obtained from the traditional methods which are based on the conservation principles and fluid constitutive relations. The results confirm and generalize the findings of our previous investigations that the energy minimization principle is at the heart of the flow dynamics systems. The investigation also enriches the methods of Computational Fluid Dynamics for solving the flow fields in tubes and networks for various types of Newtoni...
Terp, G E; Christensen, I T; Jørgensen, Flemming Steen
2000-01-01
Matrix metalloproteinases are extracellular enzymes taking part in the remodeling of extracellular matrix. The structures of the catalytic domain of MMP1, MMP3, MMP7 and MMP8 are known, but structures of enzymes belonging to this family still remain to be determined. A general approach...... to the homology modeling of matrix metalloproteinases, exemplified by the modeling of MMP2, MMP9, MMP12 and MMP14 is described. The models were refined using an energy minimization procedure developed for matrix metalloproteinases. This procedure includes incorporation of parameters for zinc and calcium ions...... in the AMBER 4.1 force field, applying a non-bonded approach and a full ion charge representation. Energy minimization of the apoenzymes yielded structures with distorted active sites, while reliable three-dimensional structures of the enzymes containing a substrate in active site were obtained. The structural...
B-spline image model for energy minimization-based optical flow estimation.
Le Besnerais, Guy; Champagnat, Frédéric
2006-10-01
Robust estimation of the optical flow is addressed through a multiresolution energy minimization. It involves repeated evaluation of spatial and temporal gradients of image intensity which rely usually on bilinear interpolation and image filtering. We propose to base both computations on a single pyramidal cubic B-spline model of image intensity. We show empirically improvements in convergence speed and estimation error and validate the resulting algorithm on real test sequences.
Isometric immersions, energy minimization and self-similar buckling in non-Euclidean elastic sheets
Gemmer, John; Sharon, Eran; Shearman, Toby; Venkataramani, Shankar C.
2016-04-01
The edges of torn plastic sheets and growing leaves often display hierarchical buckling patterns. We show that this complex morphology i) emerges even in zero strain configurations, and ii) is driven by a competition between the two principal curvatures, rather than between bending and stretching. We identify the key role of branch point (or “monkey saddle”) singularities in generating complex wrinkling patterns in isometric immersions, and show how they arise naturally from minimizing the elastic energy.
A non-minimally coupled quintom dark energy model on the warped DGP brane
Nozari, K; Azizi, T [Department of Physics, Faculty of Basic Sciences, University of Mazandaran, PO Box 47416-95447, Babolsar (Iran, Islamic Republic of); Setare, M R [Department of Science, University of Kurdistan, Pasdaran Ave, Sanandaj (Iran, Islamic Republic of); Behrouz, N [Department of Physics, Payam-e Nour University, PO Box 919, Mashad (Iran, Islamic Republic of)], E-mail: knozari@umz.ac.ir, E-mail: rezakord@ipm.ir, E-mail: t.azizi@umz.ac.ir
2009-08-15
We construct a quintom dark energy model with two non-minimally coupled scalar fields, one quintessence and the other phantom field, confined to the warped Dvali-Gabadadze-Porrati (DGP) brane. We show that this model accounts for crossing of the phantom divide line in appropriate subspaces of the model parameter space. This crossing occurs for both normal and self-accelerating branches of this DGP-inspired setup.
Reddy, D. R. K.; Anitha, S.; Umadevi, S.
2016-11-01
In this paper, we investigate five dimensional space-time filled with minimally interacting dark matter and holographic dark energy in Brans-Dicke (Phys. Rev. 124:925, 1961) scalar-tensor theory of gravitation. The exact solutions of the field equations are obtained using (i) special law of variation for Hubble's parameter that yields constant value of deceleration parameter and (ii) a relation between metric potentials. The physical and geometrical aspects of the model are also discussed.
Energy Minimization for Parallel Real-Time Systems with Malleable Jobs and Homogeneous Frequencies
Fisher, Nathan; Goossens, Joël; Hettiarachchi, Pradeep M.; Paolillo, Antonio
2013-01-01
In this work, we investigate the potential utility of parallelization for meeting real-time constraints and minimizing energy. We consider malleable Gang scheduling of implicit-deadline sporadic tasks upon multiprocessors. We first show the non-necessity of dynamic voltage/frequency regarding optimality of our scheduling problem. We adapt the canonical schedule for DVFS multiprocessor platforms and propose a polynomial-time optimal processor/frequency-selection algorithm. We evaluate the perf...
V. Nagornov
2012-01-01
Full Text Available The paper contains a classification of internal and external threats for thermal power plants and recommendations on minimization of these risks. A set of concrete measures aimed at ensuring TPP energy security has been presented in the paper. The system comprises preventive measures aimed at reducing the possibilities of emergence and implementation of internal and external threats. The system also presupposes to decrease susceptibility of fuel- and energy supply systems to the threats, and application of liquidation measures that ensure elimination of emergency situation consequences and restoration of the conditions concerning fuel- and power supply to consumers.
Wai, C. M.; Hutchinson, S. G.
1989-01-01
Discusses the calculation of free energy in reactions between silicon dioxide and carbon. Describes several computer programs for calculating the free energy minimization and their uses in chemistry classrooms. Lists 16 references. (YP)
Smart HVAC Control in IoT: Energy Consumption Minimization with User Comfort Constraints
Verikoukis, Christos
2014-01-01
Smart grid is one of the main applications of the Internet of Things (IoT) paradigm. Within this context, this paper addresses the efficient energy consumption management of heating, ventilation, and air conditioning (HVAC) systems in smart grids with variable energy price. To that end, first, we propose an energy scheduling method that minimizes the energy consumption cost for a particular time interval, taking into account the energy price and a set of comfort constraints, that is, a range of temperatures according to user's preferences for a given room. Then, we propose an energy scheduler where the user may select to relax the temperature constraints to save more energy. Moreover, thanks to the IoT paradigm, the user may interact remotely with the HVAC control system. In particular, the user may decide remotely the temperature of comfort, while the temperature and energy consumption information is sent through Internet and displayed at the end user's device. The proposed algorithms have been implemented in a real testbed, highlighting the potential gains that can be achieved in terms of both energy and cost. PMID:25054163
Smart HVAC control in IoT: energy consumption minimization with user comfort constraints.
Serra, Jordi; Pubill, David; Antonopoulos, Angelos; Verikoukis, Christos
2014-01-01
Smart grid is one of the main applications of the Internet of Things (IoT) paradigm. Within this context, this paper addresses the efficient energy consumption management of heating, ventilation, and air conditioning (HVAC) systems in smart grids with variable energy price. To that end, first, we propose an energy scheduling method that minimizes the energy consumption cost for a particular time interval, taking into account the energy price and a set of comfort constraints, that is, a range of temperatures according to user's preferences for a given room. Then, we propose an energy scheduler where the user may select to relax the temperature constraints to save more energy. Moreover, thanks to the IoT paradigm, the user may interact remotely with the HVAC control system. In particular, the user may decide remotely the temperature of comfort, while the temperature and energy consumption information is sent through Internet and displayed at the end user's device. The proposed algorithms have been implemented in a real testbed, highlighting the potential gains that can be achieved in terms of both energy and cost.
PhyloGibbs-MP: module prediction and discriminative motif-finding by Gibbs sampling.
Siddharthan, Rahul
2008-08-29
PhyloGibbs, our recent Gibbs-sampling motif-finder, takes phylogeny into account in detecting binding sites for transcription factors in DNA and assigns posterior probabilities to its predictions obtained by sampling the entire configuration space. Here, in an extension called PhyloGibbs-MP, we widen the scope of the program, addressing two major problems in computational regulatory genomics. First, PhyloGibbs-MP can localise predictions to small, undetermined regions of a large input sequence, thus effectively predicting cis-regulatory modules (CRMs) ab initio while simultaneously predicting binding sites in those modules-tasks that are usually done by two separate programs. PhyloGibbs-MP's performance at such ab initio CRM prediction is comparable with or superior to dedicated module-prediction software that use prior knowledge of previously characterised transcription factors. Second, PhyloGibbs-MP can predict motifs that differentiate between two (or more) different groups of regulatory regions, that is, motifs that occur preferentially in one group over the others. While other "discriminative motif-finders" have been published in the literature, PhyloGibbs-MP's implementation has some unique features and flexibility. Benchmarks on synthetic and actual genomic data show that this algorithm is successful at enhancing predictions of differentiating sites and suppressing predictions of common sites and compares with or outperforms other discriminative motif-finders on actual genomic data. Additional enhancements include significant performance and speed improvements, the ability to use "informative priors" on known transcription factors, and the ability to output annotations in a format that can be visualised with the Generic Genome Browser. In stand-alone motif-finding, PhyloGibbs-MP remains competitive, outperforming PhyloGibbs-1.0 and other programs on benchmark data.
PhyloGibbs-MP: module prediction and discriminative motif-finding by Gibbs sampling.
Rahul Siddharthan
Full Text Available PhyloGibbs, our recent Gibbs-sampling motif-finder, takes phylogeny into account in detecting binding sites for transcription factors in DNA and assigns posterior probabilities to its predictions obtained by sampling the entire configuration space. Here, in an extension called PhyloGibbs-MP, we widen the scope of the program, addressing two major problems in computational regulatory genomics. First, PhyloGibbs-MP can localise predictions to small, undetermined regions of a large input sequence, thus effectively predicting cis-regulatory modules (CRMs ab initio while simultaneously predicting binding sites in those modules-tasks that are usually done by two separate programs. PhyloGibbs-MP's performance at such ab initio CRM prediction is comparable with or superior to dedicated module-prediction software that use prior knowledge of previously characterised transcription factors. Second, PhyloGibbs-MP can predict motifs that differentiate between two (or more different groups of regulatory regions, that is, motifs that occur preferentially in one group over the others. While other "discriminative motif-finders" have been published in the literature, PhyloGibbs-MP's implementation has some unique features and flexibility. Benchmarks on synthetic and actual genomic data show that this algorithm is successful at enhancing predictions of differentiating sites and suppressing predictions of common sites and compares with or outperforms other discriminative motif-finders on actual genomic data. Additional enhancements include significant performance and speed improvements, the ability to use "informative priors" on known transcription factors, and the ability to output annotations in a format that can be visualised with the Generic Genome Browser. In stand-alone motif-finding, PhyloGibbs-MP remains competitive, outperforming PhyloGibbs-1.0 and other programs on benchmark data.
Generalization of Gibbs Entropy and Thermodynamic Relation
Park, Jun Chul
2010-01-01
In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.
Surles, M C; Richardson, J S; Richardson, D C; Brooks, F P
1994-02-01
We describe a new paradigm for modeling proteins in interactive computer graphics systems--continual maintenance of a physically valid representation, combined with direct user control and visualization. This is achieved by a fast algorithm for energy minimization, capable of real-time performance on all atoms of a small protein, plus graphically specified user tugs. The modeling system, called Sculpt, rigidly constrains bond lengths, bond angles, and planar groups (similar to existing interactive modeling programs), while it applies elastic restraints to minimize the potential energy due to torsions, hydrogen bonds, and van der Waals and electrostatic interactions (similar to existing batch minimization programs), and user-specified springs. The graphical interface can show bad and/or favorable contacts, and individual energy terms can be turned on or off to determine their effects and interactions. Sculpt finds a local minimum of the total energy that satisfies all the constraints using an augmented Lagrange-multiplier method; calculation time increases only linearly with the number of atoms because the matrix of constraint gradients is sparse and banded. On a 100-MHz MIPS R4000 processor (Silicon Graphics Indigo), Sculpt achieves 11 updates per second on a 20-residue fragment and 2 updates per second on an 80-residue protein, using all atoms except non-H-bonding hydrogens, and without electrostatic interactions. Applications of Sculpt are described: to reverse the direction of bundle packing in a designed 4-helix bundle protein, to fold up a 2-stranded beta-ribbon into an approximate beta-barrel, and to design the sequence and conformation of a 30-residue peptide that mimics one partner of a protein subunit interaction. Computer models that are both interactive and physically realistic (within the limitations of a given force field) have 2 significant advantages: (1) they make feasible the modeling of very large changes (such as needed for de novo design), and
Minimizers of the Landau-de Gennes Energy Around a Spherical Colloid Particle
Alama, Stan; Bronsard, Lia; Lamy, Xavier
2016-10-01
We consider energy minimizing configurations of a nematic liquid crystal around a spherical colloid particle, in the context of the Landau-de Gennes model. The nematic is assumed to occupy the exterior of a ball B r0, and satisfy homeotropic weak anchoring at the surface of the colloid and approach a uniform uniaxial state as {|x|to∞}. We study the minimizers in two different limiting regimes: for balls which are small {r_0≪ L^{1/2}} compared to the characteristic length scale {L^{1/2}}, and for large balls, {r_0≫ L^{1/2}}. The relationship between the radius and the anchoring strength W is also relevant. For small balls we obtain a limiting quadrupolar configuration, with a "Saturn ring" defect for relatively strong anchoring, corresponding to an exchange of eigenvalues of the Q-tensor. In the limit of very large balls we obtain an axisymmetric minimizer of the Oseen-Frank energy, and a dipole configuration with exactly one point defect is obtained.
Cheung, Ngaam J; Shen, Hong-Bin
2014-11-01
The stable conformation of a molecule is greatly important to uncover the secret of its properties and functions. Generally, the conformation of a molecule will be the most stable when it is of the minimum potential energy. Accordingly, the determination of the conformation can be solved in the optimization framework. It is, however, not an easy task to achieve the only conformation with the lowest energy among all the potential ones because of the high complexity of the energy landscape and the exponential computation increasing with molecular size. In this paper, we develop a hierarchical and heterogeneous particle swarm optimizer (HHPSO) to deal with the problem in the minimization of the potential energy. The proposed method is evaluated over a scalable simplified molecular potential energy function with up to 200 degrees of freedom and a realistic energy function of pseudo-ethane molecule. The experimental results are compared with other six PSO variants and four genetic algorithms. The results show HHPSO is significantly better than the compared PSOs with p-value less than 0.01277 over molecular potential energy function.
Predicting Consensus Structures for RNA Alignments Via Pseudo-Energy Minimization
Junilda Spirollari
2009-01-01
Full Text Available Thermodynamic processes with free energy parameters are often used in algorithms that solve the free energy minimization problem to predict secondary structures of single RNA sequences. While results from these algorithms are promising, an observation is that single sequence-based methods have moderate accuracy and more information is needed to improve on RNA secondary structure prediction, such as covariance scores obtained from multiple sequence alignments. We present in this paper a new approach to predicting the consensus secondary structure of a set of aligned RNA sequences via pseudo-energy minimization. Our tool, called RSpredict, takes into account sequence covariation and employs effective heuristics for accuracy improvement. RSpredict accepts, as input data, a multiple sequence alignment in FASTA or ClustalW format and outputs the consensus secondary structure of the input sequences in both the Vienna style Dot Bracket format and the Connectivity Table format. Our method was compared with some widely used tools including KNetFold, Pfold and RNAalifold. A comprehensive test on different datasets including Rfam sequence alignments and a multiple sequence alignment obtained from our study on the Drosophila X chromosome reveals that RSpredict is competitive with the existing tools on the tested datasets. RSpredict is freely available online as a web server and also as a jar file for download at http:// datalab.njit.edu/biology/RSpredict.
Ten scenarios from early radiation to late time acceleration with a minimally coupled dark energy
Fay, Stephane
2015-01-01
We consider General Relativity with matter, radiation and a minimally coupled dark energy defined by an equation of state w. Using dynamical system method, we find the equilibrium points of such a theory assuming an expanding Universe and a positive dark energy density. Two of these points correspond to classical radiation and matter dominated epochs for the Universe. For the other points, dark energy mimics matter, radiation or accelerates Universe expansion. We then look for possible sequences of epochs describing a Universe starting with some radiation dominated epoch(s) (mimicked or not by dark energy), then matter dominated epoch(s) (mimicked or not by dark energy) and ending with an accelerated expansion. We find ten sequences able to follow this Universe history without singular behaviour of w at some saddle points. Most of them are new in dark energy literature. To get more than these ten sequences, w has to be singular at some specific saddle equilibrium points. This is an unusual mathematical proper...
Neff, Patrizio; Lankeit, Johannes; Ghiba, Ionel-Dumitrel; Martin, Robert; Steigmann, David
2015-08-01
We consider a family of isotropic volumetric-isochoric decoupled strain energies based on the Hencky-logarithmic (true, natural) strain tensor log U, where μ > 0 is the infinitesimal shear modulus, is the infinitesimal bulk modulus with the first Lamé constant, are dimensionless parameters, is the gradient of deformation, is the right stretch tensor and is the deviatoric part (the projection onto the traceless tensors) of the strain tensor log U. For small elastic strains, the energies reduce to first order to the classical quadratic Hencky energy which is known to be not rank-one convex. The main result in this paper is that in plane elastostatics the energies of the family are polyconvex for , extending a previous finding on its rank-one convexity. Our method uses a judicious application of Steigmann's polyconvexity criteria based on the representation of the energy in terms of the principal invariants of the stretch tensor U. These energies also satisfy suitable growth and coercivity conditions. We formulate the equilibrium equations, and we prove the existence of minimizers by the direct methods of the calculus of variations.
Singh, Amit Raj; Granek, Rony
2016-10-14
We study DNA denaturation by integrating elasticity - as described by the Gaussian network model - with bond binding energies, distinguishing between different base pairs and stacking energies. We use exact calculation, within the model, of the Helmholtz free-energy of any partial denaturation state, which implies that the entropy of all formed "bubbles" ("loops") is accounted for. Considering base pair bond removal single events, the bond designated for opening is chosen by minimizing the free-energy difference for the process, over all remaining base pair bonds. Despite of its great simplicity, for several known DNA sequences our results are in accord with available theoretical and experimental studies. Moreover, we report free-energy profiles along the denaturation pathway, which allow to detect stable or meta-stable partial denaturation states, composed of bubble, as local free-energy minima separated by barriers. Our approach allows to study very long DNA strands with commonly available computational power, as we demonstrate for a few random sequences in the range 200-800 base-pairs. For the latter, we also elucidate the self-averaging property of the system. Implications for the well known breathing dynamics of DNA are elucidated.
Singh, Amit Raj; Granek, Rony
2016-10-01
We study DNA denaturation by integrating elasticity — as described by the Gaussian network model — with bond binding energies, distinguishing between different base pairs and stacking energies. We use exact calculation, within the model, of the Helmholtz free-energy of any partial denaturation state, which implies that the entropy of all formed "bubbles" ("loops") is accounted for. Considering base pair bond removal single events, the bond designated for opening is chosen by minimizing the free-energy difference for the process, over all remaining base pair bonds. Despite of its great simplicity, for several known DNA sequences our results are in accord with available theoretical and experimental studies. Moreover, we report free-energy profiles along the denaturation pathway, which allow to detect stable or meta-stable partial denaturation states, composed of bubble, as local free-energy minima separated by barriers. Our approach allows to study very long DNA strands with commonly available computational power, as we demonstrate for a few random sequences in the range 200-800 base-pairs. For the latter, we also elucidate the self-averaging property of the system. Implications for the well known breathing dynamics of DNA are elucidated.
Minimizing Energy Cost in Electric Arc Furnace Steel Making by Optimal Control Designs
Er-wei Bai
2014-01-01
Full Text Available Production cost in steel industry is a challenge issue and energy optimization is an important part. This paper proposes an optimal control design aiming at minimizing the production cost of the electric arc furnace steel making. In particular, it is shown that with the structure of an electric arc furnace, the production cost which is a linear programming problem can be solved by the tools of linear quadratic regulation control design that not only provides an optimal solution but also is in a feedback form. Modeling and control designs are validated by the actual production data sets.
Zhang, Jiapu
2012-01-01
X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, and dual polarization interferometry, etc are indeed very powerful tools to determine the 3D structures of proteins (including the membrane proteins), though they are time-consuming and costly. However, for some proteins, due to their unstable, noncrystalline and insoluble nature, these tools cannot work. Under this condition, mathematical and physical theoretical methods and computational approaches allow us to obtain a description of the protein 3D structure at a submicroscopic level. This Chapter presents some practical and useful mathematical optimization computational approaches to produce 3D structures of the Prion AGAAAAGA Amyloid Fibrils, from a potential energy minimization point of view.
A NOTE ON THE PROJECTION OF GIBBS MEASURES
LORINCZI, J; VANDEVELDE, K
1994-01-01
We give an example of a projection which maps two Gibbs measures for the same interaction into Gibbs measures for different interactions. As a corollary we find a case where by decimation a non-Gibbsian measure is transformed into a Gibbs measure.
Energy Efficient Optical Networks with Minimized Non-Renewable Power Consumption
Xiaowen Dong
2012-05-01
Full Text Available Recent studies have shown that the Information and Communication Technology (ICT industry is responsible for about 2% of the global emission of CO2 and this percentage is expected to increase as the internet expands in bandwidth and reach. In this paper we propose a hybrid-power IP over WDM network where renewable energy is used to reduce the CO2 emission of IP over WDM networks. A Linear Programming (LP model and a novel heuristic are developed to minimize the non-renewable power consumption in the “hybrid-power” IP over WDM network. The performance of the network is studied considering two topologies, the NSFNET and the USNET. Compared with routing in the electronic layer, the results show that routing in the optical layer coupled with using renewable energy significantly reduces the CO2 emissions of the IP over WDM network by up to 73% for the NSFNET and 69% for the USNET, and the proposed heuristic has little impact on the QoS. We also develop an LP model to identify the impact of the location of nodes employing renewable energy on the non-renewable power consumption of the network. The results show that the optimum location of nodes employing renewable energy is determined according to the output power of the renewable energy sources and the power consumption of the nodes.
Bondarev, Alexander L.
1997-01-01
The various ways to reduce number of vectors describing condition of particles for high energy physics problems are presented. In particular decomposition of any vector with respect to the basis, consisting of any four linearly independent vectors, including the orthonormal basis; construction of orthonormal bases from vectors of a problem; expression of one vector of problem through other is considered.
Zero-Temperature Limit of a Convergent Algorithm to Minimize the Bethe Free Energy
Werner, Tomas
2011-01-01
After the discovery that fixed points of loopy belief propagation coincide with stationary points of the Bethe free energy, several researchers proposed provably convergent algorithms to directly minimize the Bethe free energy. These algorithms were formulated only for non-zero temperature (thus finding fixed points of the sum-product algorithm) and their possible extension to zero temperature is not obvious. We present the zero-temperature limit of the double-loop algorithm by Heskes, which converges a max-product fixed point. The inner loop of this algorithm is max-sum diffusion. Under certain conditions, the algorithm combines the complementary advantages of the max-product belief propagation and max-sum diffusion (LP relaxation): it yields good approximation of both ground states and max-marginals.
Riva, M., E-mail: Marco.Riva@enea.it; Esposito, B.; Marocco, D.; Belli, F.
2015-10-15
Highlights: • Systematic requirement analysis of the digitizing process. • Synthetic pulses with different Full Width Half Maximum (FWHM). • Statistical and systematic error study. • Effects of the pulse amplitude reduction respect to the full scale on the error. • Hardware architecture considerations. - Abstract: Nuclear radiation spectroscopy is now often relying on digital acquisition techniques. The present paper addresses the problem of analyzing the requirements of the digitizer in terms of sampling frequency and number of bits to minimize the energy resolution degradation caused by the digitizing process. The analysis is performed using synthetic pulses (with different amplitude and Full Width Half Maximum) of typical nuclear spectroscopy detectors and the pulse area as energy estimate. Additional relevant issues, such as the hardware architecture and the data throughput speed, are also discussed.
Real-Time Velocity Optimization to Minimize Energy Use in Passenger Vehicles
Thomas Levermore
2016-12-01
Full Text Available Energy use in internal combustion engine passenger vehicles contributes directly to CO 2 emissions and fuel consumption, as well as producing a number of air pollutants. Optimizing the vehicle velocity by utilising upcoming road information is an opportunity to minimize vehicle energy use without requiring mechanical design changes. Dynamic programming is capable of such an optimization task and is shown in simulation to produce fuel savings, on average 12%, compared to real driving data; however, in this paper it is also applied in real time on a Raspberry Pi, a low cost miniature computer, in situ in a vehicle. A test drive was undertaken with driver feedback being provided by a dynamic programming algorithm, and the results are compared to a simulated intelligent cruise control system that can follow the algorithm results precisely. An 8% reduction in fuel with no loss in time is reported compared to the test driver.
无
2008-01-01
2008年7月10日，为工模具制造商和零部件制造商提供CAD／CAM完整解决方案的领导者Cimatron有限公司宣布，其子公司Microsystem Srl．公司将在意大利销售先进的加工软件解决方案GibbsCAM，并提供技术支持。GibbsCAM软件解决方案为加工、车、车铣复合、旋转铣削、墓石加工系统、线切割、多刀塔／多主轴机床等提供广泛的CNC编程功能。专门适用于制造业的建模功能性调谐，支持线框、曲面、实体等的创建和操作。GibbsCAM软件采用了直观用户界面，内置结合性与仿真功能，能使制造商提高生产力，提高对客户要求的反应速度。GibbsCAM软件支持先进的供应商的控制器和机床，包括GE Fanuc，Infimatic，西门子，Doosan Infracore，Haas，index，MAG Fadal，Matsuura，Mazak，三菱，Mori Seiki，Nakamura Tome和Tornos等。
Parameter Estimation and Energy Minimization for Region-Based Semantic Segmentation.
Kumar, M Pawan; Turki, Haithem; Preston, Dan; Koller, Daphne
2015-07-01
We consider the problem of parameter estimation and energy minimization for a region-based semantic segmentation model. The model divides the pixels of an image into non-overlapping connected regions, each of which is to a semantic class. In the context of energy minimization, the main problem we face is the large number of putative pixel-to-region assignments. We address this problem by designing an accurate linear programming based approach for selecting the best set of regions from a large dictionary. The dictionary is constructed by merging and intersecting segments obtained from multiple bottom-up over-segmentations. The linear program is solved efficiently using dual decomposition. In the context of parameter estimation, the main problem we face is the lack of fully supervised data. We address this issue by developing a principled framework for parameter estimation using diverse data. More precisely, we propose a latent structural support vector machine formulation, where the latent variables model any missing information in the human annotation. Of particular interest to us are three types of annotations: (i) images segmented using generic foreground or background classes; (ii) images with bounding boxes specified for objects; and (iii) images labeled to indicate the presence of a class. Using large, publicly available datasets we show that our methods are able to significantly improve the accuracy of the region-based model.
Universal geometrical factor of protein conformations as a consequence of energy minimization
Wu, Ming-Chya; Ma, Wen-Jong; Kouza, Maksim; Hu, Chin-Kun; 10.1209/0295-5075/96/68005
2012-01-01
The biological activity and functional specificity of proteins depend on their native three-dimensional structures determined by inter- and intra-molecular interactions. In this paper, we investigate the geometrical factor of protein conformation as a consequence of energy minimization in protein folding. Folding simulations of 10 polypeptides with chain length ranging from 183 to 548 residues manifest that the dimensionless ratio (V/(A)) of the van der Waals volume V to the surface area A and average atomic radius of the folded structures, calculated with atomic radii setting used in SMMP [Eisenmenger F., et. al., Comput. Phys. Commun., 138 (2001) 192], approach 0.49 quickly during the course of energy minimization. A large scale analysis of protein structures show that the ratio for real and well-designed proteins is universal and equal to 0.491\\pm0.005. The fractional composition of hydrophobic and hydrophilic residues does not affect the ratio substantially. The ratio also holds for intrinsically disorde...
Emani, Prashant S; Bardaro, Michael F; Huang, Wei; Aragon, Sergio; Varani, Gabriele; Drobny, Gary P
2014-02-20
Complex RNA structures are constructed from helical segments connected by flexible loops that move spontaneously and in response to binding of small molecule ligands and proteins. Understanding the conformational variability of RNA requires the characterization of the coupled time evolution of interconnected flexible domains. To elucidate the collective molecular motions and explore the conformational landscape of the HIV-1 TAR RNA, we describe a new methodology that utilizes energy-minimized structures generated by the program "Fragment Assembly of RNA with Full-Atom Refinement (FARFAR)". We apply structural filters in the form of experimental residual dipolar couplings (RDCs) to select a subset of discrete energy-minimized conformers and carry out principal component analyses (PCA) to corroborate the choice of the filtered subset. We use this subset of structures to calculate solution T1 and T(1ρ) relaxation times for (13)C spins in multiple residues in different domains of the molecule using two simulation protocols that we previously published. We match the experimental T1 times to within 2% and the T(1ρ) times to within less than 10% for helical residues. These results introduce a protocol to construct viable dynamic trajectories for RNA molecules that accord well with experimental NMR data and support the notion that the motions of the helical portions of this small RNA can be described by a relatively small number of discrete conformations exchanging over time scales longer than 1 μs.
Tang, Dunbing; Dai, Min
2015-09-01
The traditional production planning and scheduling problems consider performance indicators like time, cost and quality as optimization objectives in manufacturing processes. However, environmentally-friendly factors like energy consumption of production have not been completely taken into consideration. Against this background, this paper addresses an approach to modify a given schedule generated by a production planning and scheduling system in a job shop floor, where machine tools can work at different cutting speeds. It can adjust the cutting speeds of the operations while keeping the original assignment and processing sequence of operations of each job fixed in order to obtain energy savings. First, the proposed approach, based on a mixed integer programming mathematical model, changes the total idle time of the given schedule to minimize energy consumption in the job shop floor while accepting the optimal solution of the scheduling objective, makespan. Then, a genetic-simulated annealing algorithm is used to explore the optimal solution due to the fact that the problem is strongly NP-hard. Finally, the effectiveness of the approach is performed smalland large-size instances, respectively. The experimental results show that the approach can save 5%-10% of the average energy consumption while accepting the optimal solution of the makespan in small-size instances. In addition, the average maximum energy saving ratio can reach to 13%. And it can save approximately 1%-4% of the average energy consumption and approximately 2.4% of the average maximum energy while accepting the near-optimal solution of the makespan in large-size instances. The proposed research provides an interesting point to explore an energy-aware schedule optimization for a traditional production planning and scheduling problem.
Work and entropy production in generalised Gibbs ensembles
Perarnau-Llobet, Martí; Riera, Arnau; Gallego, Rodrigo; Wilming, Henrik; Eisert, Jens
2016-12-01
Recent years have seen an enormously revived interest in the study of thermodynamic notions in the quantum regime. This applies both to the study of notions of work extraction in thermal machines in the quantum regime, as well as to questions of equilibration and thermalisation of interacting quantum many-body systems as such. In this work we bring together these two lines of research by studying work extraction in a closed system that undergoes a sequence of quenches and equilibration steps concomitant with free evolutions. In this way, we incorporate an important insight from the study of the dynamics of quantum many body systems: the evolution of closed systems is expected to be well described, for relevant observables and most times, by a suitable equilibrium state. We will consider three kinds of equilibration, namely to (i) the time averaged state, (ii) the Gibbs ensemble and (iii) the generalised Gibbs ensemble, reflecting further constants of motion in integrable models. For each effective description, we investigate notions of entropy production, the validity of the minimal work principle and properties of optimal work extraction protocols. While we keep the discussion general, much room is dedicated to the discussion of paradigmatic non-interacting fermionic quantum many-body systems, for which we identify significant differences with respect to the role of the minimal work principle. Our work not only has implications for experiments with cold atoms, but also can be viewed as suggesting a mindset for quantum thermodynamics where the role of the external heat baths is instead played by the system itself, with its internal degrees of freedom bringing coarse-grained observables to equilibrium.
Non-minimal Derivative Coupling Scalar Field Reconstruction of Bulk Viscous Dark Energy
Mostaghel, Behrang; Movahed, S M S
2016-01-01
Inspired by thermodynamical dissipative phenomena, we consider constant bulk viscosity for dark fluid in a spatially flat two-component Universe. Our viscous dark energy model represents Phantom crossing avoiding Big-Rip singularity. We propose a non-minimal derivative coupling scalar field with zero potential to describe viscous dark energy model. In this approach, coupling constant ($\\kappa$) is related to viscosity coefficient ($\\gamma$) and energy density of dark energy at the present time ($\\Omega_{\\rm DE}^0$). This coupling is bounded as $\\kappa\\in [-1/9H_0^2(1-\\Omega_{\\rm DE}^0), 0]$ and for $\\gamma=0$ leads to $\\kappa=0$. To perform robust analysis, we implement recent observational data sets including Joint Light-curve Analysis (JLA) for SNIa, Gamma Ray Bursts (GRBs) for most luminous astrophysical objects at high redshifts, Baryon Acoustic Oscillations (BAO) from different surveys, Hubble parameter from HST project, {\\it Planck} data for CMB power spectrum and CMB Lensing. Joint analysis of JLA$+$GR...
Mass minimization of a discrete regenerative fuel cell (RFC) system for on-board energy storage
Li, Xiaojin; Xiao, Yu; Shao, Zhigang; Yi, Baolian
RFC combined with solar photovoltaic (PV) array is the advanced technologic solution for on-board energy storage, e.g. land, sky, stratosphere and aerospace applications, due to its potential of achieving high specific energy. This paper focuses on mass modeling and calculation for a RFC system consisting of discrete electrochemical cell stacks (fuel cell and electrolyzer), together with fuel storage, a PV array, and a radiator. A nonlinear constrained optimization procedure is used to minimize the entire system mass, as well as to study the effect of operating conditions (e.g. current densities of fuel cell and electrolyzer) on the system mass. According to the state-of-the-art specific power of both electrochemical stacks, an energy storage system has been designed for the conditions of stratosphere applications and a rated power output of 12 kW. The calculation results show that the optimization of the current density of both stacks is of importance in designing the light weight on-board energy system.
Optimum fuel loads in migratory birds: distinguishing between time and energy minimization
Hedenstrom; Alerstam
1997-12-07
By combining the potential flight range of fuel with different migration policies, the optimum departure fuel load for migratory birds can be calculated. We evaluate the optimum departure fuel loads associated with minimization of three different currencies: (1) overall time of migration, (2) energy cost of transport and (3) total energy coast of migration. Predicted departure loads are highest for (1), lowest for (2) and intermediate for (3). Further, currencies (1) and (3) show departure loads dependent on the fuel accumulation rate at stopovers, while (2) is not affected by variation in the rate of fuel accumulation. Furthermore, fuel loads optimized with respect to currency (3) will differ depending on the size (body mass) of the bird and the energy density of the fuel. We review ecological situations in which the various currencies may apply, and suggest how a combination of stopover decisions and observations of flight speed may be used to decide among the three cases of migration policies. Finally, we calculate that the total energy cost of migration is roughly divided between flight and stopover as 1:2. The total time of migration is similarly divided between flight and stopover as 1:7, probably with a relatively longer stopover time in larger species. Hence, we may expect strong selection pressures to optimize the fuel accumulation strategies during stopover episodes.Copyright 1997 Academic Press Limited Copyright 1997 Academic Press Limited
Energy spread minimization in a cascaded laser wakefield accelerator via velocity bunching
Zhang, Zhijun; Li, Wentao; Liu, Jiansheng; Wang, Wentao; Yu, Changhai; Tian, Ye; Nakajima, Kazuhisa; Deng, Aihua; Qi, Rong; Wang, Cheng; Qin, Zhiyong; Fang, Ming; Liu, Jiaqi; Xia, Changquan; Li, Ruxin; Xu, Zhizhan
2016-05-01
We propose a scheme to minimize the energy spread of an electron beam (e-beam) in a cascaded laser wakefield accelerator to the one-thousandth-level by inserting a stage to compress its longitudinal spatial distribution. In this scheme, three-segment plasma stages are designed for electron injection, e-beam length compression, and e-beam acceleration, respectively. The trapped e-beam in the injection stage is transferred to the zero-phase region at the center of one wakefield period in the compression stage where the length of the e-beam can be greatly shortened owing to the velocity bunching. After being seeded into the third stage for acceleration, the e-beam can be accelerated to a much higher energy before its energy chirp is compensated owing to the shortened e-beam length. A one-dimensional theory and two-dimensional particle-in-cell simulations have demonstrated this scheme and an e-beam with 0.2% rms energy spread and low transverse emittance could be generated without loss of charge.
Ijjasz-Vasquez, Ede J.; Bras, Rafael L.; Rodriguez-Iturbe, Ignacio
1993-08-01
As pointed by Hack (1957), river basins tend to become longer and narrower as their size increases. This work shows that this property may be partially regarded as the consequence of competition and minimization of energy expenditure in river basins.
Schmidt, Martin U; Dinnebier, Robert E; Kalkhof, Holger
2007-08-23
Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was
Schmidt,M.; Dinnebier, R.; Kalkhof, H.
2007-01-01
Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was
Beyond Gibbs-Boltzmann-Shannon: General Entropies -- The Gibbs-Lorentzian Example
Rudolf A. Treumann
2014-08-01
Full Text Available We propose a generalisation of Gibbs' statistical mechanics into the domain of non-negligible phase space correlations. Derived are the probability distribution and entropy as a generalised ensemble average, replacing Gibbs-Boltzmann-Shannon's entropy definition enabling construction of new forms of statistical mechanics. The general entropy may also be of importance in information theory and data analysis. Application to generalised Lorentzian phase space elements yields the Gibbs-Lorentzian power law probability distribution and statistical mechanics. The corresponding Boltzmann, Fermi and Bose-Einstein distributions are found. They apply only to finite temperature states including correlations. As a by-product any negative absolute temperatures are categorically excluded, supporting a recent ``no-negative $T$ claim.
Constraints on B and Higgs physics in minimal low energy supersymmetric models
Carena, Marcela; /Fermilab; Menon, A.; /Argonne /Chicago U., EFI; Noriega-Papaqui, R.; /Fermilab /Puebla U., Inst. Fis.; Szynkman, A.; /Fermilab /Montreal U. /La Plata U.; Wagner, C.E.M.; /Argonne /Chicago U., EFI
2006-03-01
We study the implications of minimal flavor violating low energy supersymmetry scenarios for the search of new physics in the B and Higgs sectors at the Tevatron collider and the LHC. We show that the already stringent Tevatron bound on the decay rate B{sub s} {yields} {mu}{sup +}{mu}{sup -} sets strong constraints on the possibility of generating large corrections to the mass difference {Delta} M{sub s} of the B{sub s} eigenstates. We also show that the B{sub s} {yields} {mu}{sup +}{mu}{sup -} bound together with the constraint on the branching ratio of the rare decay b {yields} s{gamma} has strong implications for the search of light, non-standard Higgs bosons at hadron colliders. In doing this, we demonstrate that the former expressions derived for the analysis of the double penguin contributions in the Kaon sector need to be corrected by additional terms for a realistic analysis of these effects. We also study a specific non-minimal flavor violating scenario, where there are flavor changing gluino-squark-quark interactions, governed by the CKM matrix elements, and show that the B and Higgs physics constraints are similar to the ones in the minimal flavor violating case. Finally we show that, in scenarios like electroweak baryogenesis which have light stops and charginos, there may be enhanced effects on the B and K mixing parameters, without any significant effect on the rate of B{sub s} {yields} {mu}{sup +}{mu}{sup -}.
Gibbs Paradox and the Concepts of Information, Symmetry, Similarity and Their Relationship
Lin, Shu-Kun
2008-01-01
Information (I) is defined as the amount of the data after data compression. The first law of information theory: the total amount of data L (the sum of entropy S and information I) of an isolated system remains unchanged. The second law of information theory: Information I of an isolated system decreases to a minimum at equilibrium. The third law of information theory: For a solid structure of perfect symmetry (e.g., a perfect crystal), the information I is zero and the (information theory) entropy (called by me as static entropy for solid state) S is at the maximum. Gibbs Paradox has been resolved. Spontaneously mixed substances at gaseous state can be spontaneously separated at condensed phases (solid or liquid states), driving only by information loss or by the increase in (information theory) entropy. None of the typical pure mixing or separation processes are driving by free energy minimization and the free energy (or total amount of chemical potential) has no change during the processes of ideal mixtur...
High-energy suppression of the Higgsstrahlung cross-section in the Minimal Composite Higgs Model
Hartling, Katy
2012-01-01
If the Higgs boson is composite, signs of this compositeness should appear via a formfactor-like suppression of Higgs scattering cross sections at momentum transfers above the compositeness scale. We explore this by computing the cross section for e+e- ---> ZH (Higgsstrahlung) in a warped five-dimensional gauge-Higgs unification model known as the Minimal Composite Higgs Model (MCHM). We observe that the Higgsstrahlung cross section in the MCHM is strongly suppressed compared to that in the Standard Model at center-of-mass energies above the scale of the first Kaluza-Klein excitations, due to cancellations among the contributions of successive Z boson Kaluza-Klein modes. We also show that the magnitude and sign of the coupling of the first Kaluza-Klein mode can be measured at a future electron-positron collider such as the proposed International Linear Collider or Compact Linear Collider.
Color Correction for Multi-view Video Using Energy Minimization of View Networks
Kenji Yamamoto; Ryutaro Oi
2008-01-01
Systems using numerous cameras are emerging in many fields due to their ease of production and reduced cost, and one of the fields where they are expected to be used more actively in the near future is in image-based rendering (IBR). Color correction between views is necessary to use multi-view systems in IBR to make audiences feel comfortable when views are switched or when a free viewpoint video is displayed. Color correction usually involves two steps: the first is to adjust camera parameters such as gain, brightness, and aperture before capture, and the second is to modify captured videos through image processing. This paper deals with the latter, which does not need a color pattern board. The proposed method uses scale invariant feature transform (SIFT) to detect correspondences, treats RGB channels independently, calculates lookup tables with an energy-minimization approach, and corrects captured video with these tables. The experimental results reveal that this approach works well.
Terp, G E; Christensen, I T; Jørgensen, Flemming Steen
2000-01-01
in the AMBER 4.1 force field, applying a non-bonded approach and a full ion charge representation. Energy minimization of the apoenzymes yielded structures with distorted active sites, while reliable three-dimensional structures of the enzymes containing a substrate in active site were obtained. The structural...... differences between the eight enzyme-substrate complexes were studied with particular emphasis on the active site, and possible sites for obtaining selectivity among the MMP's are discussed. Differences in the P1' pocket are well-documented and have been extensively exploited in inhibitor design. The present......Matrix metalloproteinases are extracellular enzymes taking part in the remodeling of extracellular matrix. The structures of the catalytic domain of MMP1, MMP3, MMP7 and MMP8 are known, but structures of enzymes belonging to this family still remain to be determined. A general approach...
High Performance Imaging Through Occlusion via Energy Minimization-Based Optimal Camera Selection
Tao Yang
2013-11-01
Full Text Available Seeing an object in a cluttered scene with severe occlusion is a significantly challenging task for many computer vision applications. Although camera array synthetic aperture imaging has proven to be an effective way for occluded object imaging, its imaging quality is often significantly decreased by the shadows of the foreground occluder. To overcome this problem, some recent research has been presented to label the foreground occluder via object segmentation or 3D reconstruction. However, these methods usually fail in the case of complicated occluder or severe occlusion. In this paper, we present a novel optimal camera selection algorithm to handle the problem above. Firstly, in contrast to the traditional synthetic aperture photography methods, we formulate the occluded object imaging as a problem of visible light ray selection from the optimal camera view. To the best of our knowledge, this is the first time to "mosaic" a high quality occluded object image via selecting multi-view optimal visible light rays from a camera array or a single moving camera. Secondly, a greedy optimization framework is presented to propagate the visibility information among various depth focus planes. Thirdly, a multiple label energy minimization formulation is designed in each plane to select the optimal camera view. The energy is estimated in the 3D synthetic aperture image volume and integrates the multiple view intensity consistency, previous visibility property and camera view smoothness, which is minimized via graph cuts. Finally, we compare this approach with the traditional synthetic aperture imaging algorithms on UCSD light field datasets and our own datasets captured in indoor and outdoor environment, and extensive experimental results demonstrate the effectiveness and superiority of our approach.
Hayata, Tomoya; Hongo, Masaru; Noumi, Toshifumi
2015-01-01
We derive relativistic hydrodynamics from quantum field theories by assuming that the density operator is given by a local Gibbs distribution at initial time. We decompose the energy-momentum tensor and particle current into nondissipative and dissipative parts, and analyze their time-evolution in detail. Performing the path-integral formulation of the local Gibbs distribution, we microscopically derive the generating functional for the nondissipative hydrodynamics. We also construct a basis to study dissipative corrections. In particular, we derive the first-order dissipative hydrodynamic equations without choice of frame such as the Landau-Lifshitz or Eckart frame.
Clauvelin, Nicolas
2014-01-01
The binding of proteins onto DNA contributes to the shaping and packaging of genome as well as to the expression of specific genetic messages. With a view to understanding the interplay between the presence of proteins and the deformation of DNA involved in such processes, we developed a new method to minimize the elastic energy of DNA fragments at the mesoscale level. Our method makes it possible to obtain the optimal pathways of protein-decorated DNA molecules for which the terminal base pairs are spatially constrained. We focus in this work on the deformations induced by selected architectural proteins on circular DNA. We report the energy landscapes of DNA minicircles subjected to different levels of torsional stress and containing one or two proteins as functions of the chain length and spacing between the proteins. Our results reveal cooperation between the elasticity of the double helix and the structural distortions of DNA induced by bound proteins. We find that the imposed mechanical stress influence...
Liu, Gang; Bao, Jie
2017-08-21
Energy consumption and wastewater generation in cellulosic ethanol production are among the determinant factors on overall cost and technology penetration into fuel ethanol industry. This study analyzed the energy consumption and wastewater generation by the new biorefining process technology, dry acid pretreatment and biodetoxification (DryPB), as well as by the current mainstream technologies. DryPB minimizes the steam consumption to 8.63GJ and wastewater generation to 7.71tons in the core steps of biorefining process for production of one metric ton of ethanol, close to 7.83GJ and 8.33tons in corn ethanol production, respectively. The relatively higher electricity consumption is compensated by large electricity surplus from lignin residue combustion. The minimum ethanol selling price (MESP) by DryPB is below $2/gal and falls into the range of corn ethanol production cost. The work indicates that the technical and economical gap between cellulosic ethanol and corn ethanol has been almost filled up. Copyright © 2017 Elsevier Ltd. All rights reserved.
Quasi-uniformity of Minimal Weighted Energy Points on Compact Metric Spaces
Hardin, D P; Whitehouse, J T
2011-01-01
For a closed subset $K$ of a compact metric space $A$ possessing an $\\alpha$-regular measure $\\mu$ with $\\mu(K)>0$, we prove that whenever $s>\\alpha$, any sequence of weighted minimal Riesz $s$-energy configurations $\\omega_N=\\{x_{i,N}^{(s)}\\}_{i=1}^N$ on $K$ (for `nice' weights) is quasi-uniform in the sense that the ratios of its mesh norm to separation distance remain bounded as $N$ grows large. Furthermore, if $K$ is an $\\alpha$-rectifiable compact subset of Euclidean space with positive and finite $\\alpha$-dimensional Hausdorff measure, it is possible to generate such a quasi-uniform sequence of configurations that also has (as $N\\to \\infty$) a prescribed positive continuous limit distribution with respect to $\\alpha$-dimensional Hausdorff measure. As a consequence of our energy related results for the unweighted case, we deduce that if $A$ is a compact $C^1$ manifold, then there exists a sequence of $N$-point best-packing configurations on $A$ whose mesh-separation ratios have limit superior (as $N\\to \\...
Wei-Tzer Huang
2015-12-01
Full Text Available This study aimed to minimize energy losses in traditional distribution networks and microgrids through a network reconfiguration and phase balancing approach. To address this problem, an algorithm composed of a multi-objective function and operation constraints is proposed. Network connection matrices based on graph theory and the backward/forward sweep method are used to analyze power flow. A minimizing energy loss approach is developed for network reconfiguration and phase balancing, and the particle swarm optimization (PSO algorithm is adopted to solve this optimal combination problem. The proposed approach is tested on the IEEE 37-bus test system and the first outdoor microgrid test bed established by the Institute of Nuclear Energy Research (INER in Taiwan. Simulation results demonstrate that the proposed two-stage approach can be applied in network reconfiguration to minimize energy loss.
Heterogeneous nucleation in solutions: generalized Gibbs' approach.
Abyzov, Alexander S; Schmelzer, Jürn W P
2014-06-28
Heterogeneous nucleation in solutions on planar solid surfaces is modeled taking into account changes of the state parameters of the critical clusters in dependence on supersaturation. The account of the variation of the state parameters of the cluster phase on nucleation is performed in the framework of the generalized Gibbs' approach. A regular solution is chosen as a model for the analysis of the basic qualitative characteristics of the process. It is shown that, employing the generalized Gibbs approach, contact angle and catalytic activity factor for heterogeneous nucleation become dependent on the degree of metastability (supersaturation) of the solution. For the case of formation of a cluster in supersaturated solutions on a surface of low wettability (the macroscopic equilibrium contact angles being larger than 90°), the solid surface has only a minor influence on nucleation. In the alternative case of high wettability (for macroscopic equilibrium contact angles being less than 90°), nucleation is significantly enhanced by the solid surface. Effectively, the existence of the solid surface results in a significant shift of the spinodal to lower supersaturations as compared with homogeneous nucleation. Qualitatively, the same behavior is observed now near the new (solid surface induced) limits of instability of the solution as compared with the behavior near to the spinodal curve in the case of homogeneous nucleation.
Generalized Gibbs' approach in heterogeneous nucleation.
Abyzov, Alexander S; Schmelzer, Jürn W P
2013-04-28
Heterogeneous nucleation (condensation and boiling) on planar solid surfaces is described taking into account changes of the state parameters of the critical clusters in dependence on supersaturation. The account of the variation of the state parameters of the cluster phase on nucleation is performed in the framework of the generalized Gibbs' approach. One-component van der Waals fluids are chosen as a model for the analysis of the basic qualitative characteristics of the process. The analysis is performed for both hydrophobic and hydrophilic surfaces and similarities and differences between condensation and boiling processes are discussed for the two different cases. It is shown that, in the generalized Gibbs' approach, contact angle and catalytic factor for heterogeneous nucleation become dependent on the degree of metastability (undercooling or superheating) of the fluid. For the case of formation of a droplet in supersaturated vapor on a hydrophobic surface and bubble formation in a liquid on a hydrophilic surface the solid surface has only a minor influence on nucleation. In the alternative cases of condensation of a droplet on a hydrophilic surface and of bubble formation in a liquid on a hydrophobic surface, nucleation is significantly enhanced by the solid. Effectively, the existence of the solid surface results in a significant shift of the spinodal to lower supersaturations as compared with homogeneous nucleation. Qualitatively the same behavior is observed now near the new (solid surface induced) limits of instability of the fluid as compared with the behavior near to the spinodal curve in the case of homogeneous nucleation.
Reflections on Gibbs: From Statistical Physics to the Amistad
Kadanoff, Leo P
2014-01-01
This note is based upon a talk given at a celebration in Austin Texas of the achievements of J. Willard Gibbs. J. Willard Gibbs, the younger, was the first American physical sciences theorist. He was one of the inventors of statistical physics. He introduced and developed the concepts of phase space, phase transitions, and thermodynamic surfaces in a remarkably correct and elegant manner. These three concepts form the basis of different areas of physics. The connection among these areas has been a subject of deep reflection from Gibbs' time to our own. This talk therefore tries to celebrate Gibbs by talking about modern ideas about how different parts of physics fit together. At the end of the talk, I shall get to a more personal note. Our own J. Willard Gibbs had all his achievements concentrated in science. His father, also J. Willard Gibbs, also a Professor at Yale, had one great achievement that remains unmatched in our day. I shall describe it.
de Carvalho, Alberito Rodrigo; Andrade, Alexandro; Peyré-Tartaruga, Leonardo Alexandre
2015-01-01
One goal of the locomotion is to move the body in the space at the most economical way possible. However, little is known about the mechanical and energetic aspects of locomotion that are affected by low back pain. And in case of occurring some damage, little is known about how the mechanical and energetic characteristics of the locomotion are manifested in functional activities, especially with respect to the energy-minimizer mechanisms during locomotion. This study aimed: a) to describe the main energy-minimizer mechanisms of locomotion; b) to check if there are signs of damage on the mechanical and energetic characteristics of the locomotion due to chronic low back pain (CLBP) which may endanger the energy-minimizer mechanisms. This study is characterized as a narrative literature review. The main theory that explains the minimization of energy expenditure during the locomotion is the inverted pendulum mechanism, by which the energy-minimizer mechanism converts kinetic energy into potential energy of the center of mass and vice-versa during the step. This mechanism is strongly influenced by spatio-temporal gait (locomotion) parameters such as step length and preferred walking speed, which, in turn, may be severely altered in patients with chronic low back pain. However, much remains to be understood about the effects of chronic low back pain on the individual's ability to practice an economic locomotion, because functional impairment may compromise the mechanical and energetic characteristics of this type of gait, making it more costly. Thus, there are indications that such changes may compromise the functional energy-minimizer mechanisms. Copyright © 2014 Elsevier Editora Ltda. All rights reserved.
De Kleine, Robert D. [Center for Sustainable Systems, School of Natural Resources and Environment, University of Michigan, 440 Church St., Dana Bldg., Ann Arbor, MI 48109-1041 (United States); Keoleian, Gregory A., E-mail: gregak@umich.edu [Center for Sustainable Systems, School of Natural Resources and Environment, University of Michigan, 440 Church St., Dana Bldg., Ann Arbor, MI 48109-1041 (United States); Kelly, Jarod C. [Center for Sustainable Systems, School of Natural Resources and Environment, University of Michigan, 440 Church St., Dana Bldg., Ann Arbor, MI 48109-1041 (United States)
2011-06-15
A life cycle optimization of the replacement of residential central air conditioners (CACs) was conducted in order to identify replacement schedules that minimized three separate objectives: life cycle energy consumption, greenhouse gas (GHG) emissions, and consumer cost. The analysis was conducted for the time period of 1985-2025 for Ann Arbor, MI and San Antonio, TX. Using annual sales-weighted efficiencies of residential CAC equipment, the tradeoff between potential operational savings and the burdens of producing new, more efficient equipment was evaluated. The optimal replacement schedule for each objective was identified for each location and service scenario. In general, minimizing energy consumption required frequent replacement (4-12 replacements), minimizing GHG required fewer replacements (2-5 replacements), and minimizing cost required the fewest replacements (1-3 replacements) over the time horizon. Scenario analysis of different federal efficiency standards, regional standards, and Energy Star purchases were conducted to quantify each policy's impact. For example, a 16 SEER regional standard in Texas was shown to either reduce primary energy consumption 13%, GHGs emissions by 11%, or cost by 6-7% when performing optimal replacement of CACs from 2005 or before. The results also indicate that proper servicing should be a higher priority than optimal replacement to minimize environmental burdens. - Highlights: > Optimal replacement schedules for residential central air conditioners were found. > Minimizing energy required more frequent replacement than minimizing consumer cost. > Significant variation in optimal replacement was observed for Michigan and Texas. > Rebates for altering replacement patterns are not cost effective for GHG abatement. > Maintenance levels were significant in determining the energy and GHG impacts.
Quantum electrodynamics and the electron self-energy in a deformed space with a minimal length scale
Silva, Apollo V; Neves, M J
2016-01-01
The main motivation to study models in the presence of a minimal length is to obtain a quantum field theory free of the divergences. In this way, in this paper, we have constructed a new framework for quantum electrodynamics embedded in a minimal length scale background. New operators are introduced and the Green function method was used for the solution of the field equations, i.e., the Maxwell, Klein-Gordon and Dirac equations. We have analyzed specifically the scalar field and its one loop propagator. The mass of the scalar field regularized by the minimal length was obtained. The QED Lagrangian containing a minimal length was also constructed and the divergences were analyzed. The electron and photon propagators, and the electron self-energy at one loop as a function of the minimal length was also obtained.
Cobaugh Christian W
2004-08-01
Full Text Available Abstract Background A detailed understanding of an RNA's correct secondary and tertiary structure is crucial to understanding its function and mechanism in the cell. Free energy minimization with energy parameters based on the nearest-neighbor model and comparative analysis are the primary methods for predicting an RNA's secondary structure from its sequence. Version 3.1 of Mfold has been available since 1999. This version contains an expanded sequence dependence of energy parameters and the ability to incorporate coaxial stacking into free energy calculations. We test Mfold 3.1 by performing the largest and most phylogenetically diverse comparison of rRNA and tRNA structures predicted by comparative analysis and Mfold, and we use the results of our tests on 16S and 23S rRNA sequences to assess the improvement between Mfold 2.3 and Mfold 3.1. Results The average prediction accuracy for a 16S or 23S rRNA sequence with Mfold 3.1 is 41%, while the prediction accuracies for the majority of 16S and 23S rRNA structures tested are between 20% and 60%, with some having less than 20% prediction accuracy. The average prediction accuracy was 71% for 5S rRNA and 69% for tRNA. The majority of the 5S rRNA and tRNA sequences have prediction accuracies greater than 60%. The prediction accuracy of 16S rRNA base-pairs decreases exponentially as the number of nucleotides intervening between the 5' and 3' halves of the base-pair increases. Conclusion Our analysis indicates that the current set of nearest-neighbor energy parameters in conjunction with the Mfold folding algorithm are unable to consistently and reliably predict an RNA's correct secondary structure. For 16S or 23S rRNA structure prediction, Mfold 3.1 offers little improvement over Mfold 2.3. However, the nearest-neighbor energy parameters do work well for shorter RNA sequences such as tRNA or 5S rRNA, or for larger rRNAs when the contact distance between the base-pairs is less than 100 nucleotides.
A new extension algorithm for cubic B-splines based on minimal strain energy
MO Guo-liang; ZHAO Ya-nan
2006-01-01
Extension ora B-spline curve or surface is a useful function in a CAD system. This paper presents an algorithm for extending cubic B-spline curves or surfaces to one or more target points. To keep the extension curve segment GC2-continuous with the original one, a family of cubic polynomial interpolation curves can be constructed. One curve is chosen as the solution from a sub-class of such a family by setting one GC2 parameter to be zero and determining the second GC2 parameter by minimizing the strain energy. To simplify the final curve representation, the extension segment is reparameterized to achieve C2-continuity with the given B-spline curve, and then knot removal from the curve is done. As a result, a sub-optimized solution subject to the given constraints and criteria is obtained. Additionally, new control points of the extension B-spline segment can be determined by solving lower triangular linear equations. Some computing examples for comparing our method and other methods are given.
Application of free energy minimization to the design of adaptive multi-agent teams
Levchuk, Georgiy; Pattipati, Krishna; Fouse, Adam; Serfaty, Daniel
2017-05-01
Many novel DoD missions, from disaster relief to cyber reconnaissance, require teams of humans and machines with diverse capabilities. Current solutions do not account for heterogeneity of agent capabilities, uncertainty of team knowledge, and dynamics of and dependencies between tasks and agent roles, resulting in brittle teams. Most importantly, the state-of-the-art team design solutions are either centralized, imposing role and relation assignment onto agents, or completely distributed, suitable for only homogeneous organizations such as swarms. Centralized design models can't provide insights for team's self-organization, i.e. adapting team structure over time in distributed collaborative manner by team members with diverse expertise and responsibilities. In this paper we present an information-theoretic formalization of team composition and structure adaptation using a minimization of variational free energy. The structure adaptation is obtained in an iterative distributed and collaborative manner without the need for centralized control. We show that our model is lightweight, predictive, and produces team structures that theoretically approximate an optimal policy for team adaptation. Our model also provides a unique coupling between the structure and action policy, and captures three essential processes of learning, perception, and control.
Alternating minimal energy approach to ODEs and conservation laws in tensor product formats
Dolgov, Sergey V
2014-01-01
We propose an algorithm for solution of high-dimensional evolutionary equations (ODEs and discretized time-dependent PDEs) in tensor product formats. The solution must admit an approximation in a low-rank separation of variables framework, and the right-hand side of the ODE (for example, a matrix) must be computable in the same low-rank format at a given time point. The time derivative is discretized via the Chebyshev spectral scheme, and the solution is sought simultaneously for all time points from the global space-time linear system. To compute the solution adaptively in the tensor format, we employ the Alternating Minimal Energy algorithm, the DMRG-flavored alternating iterative technique. Besides, we address the problem of maintaining system invariants inside the approximate tensor product scheme. We show how the conservation of a linear function, defined by a vector given in the low-rank format, or the second norm of the solution may be accurately and elegantly incorporated into the tensor product metho...
A Gibbs Sampler for Multivariate Linear Regression
Mantz, Adam B
2015-01-01
Kelly (2007, hereafter K07) described an efficient algorithm, using Gibbs sampling, for performing linear regression in the fairly general case where non-zero measurement errors exist for both the covariates and response variables, where these measurements may be correlated (for the same data point), where the response variable is affected by intrinsic scatter in addition to measurement error, and where the prior distribution of covariates is modeled by a flexible mixture of Gaussians rather than assumed to be uniform. Here I extend the K07 algorithm in two ways. First, the procedure is generalized to the case of multiple response variables. Second, I describe how to model the prior distribution of covariates using a Dirichlet process, which can be thought of as a Gaussian mixture where the number of mixture components is learned from the data. I present an example of multivariate regression using the extended algorithm, namely fitting scaling relations of the gas mass, temperature, and luminosity of dynamica...
New active asteroid 313P/Gibbs
Jewitt, David; Hui, Man-To; Li, Jing [Department of Earth, Planetary and Space Sciences, UCLA, 595 Charles Young Drive East, Los Angeles, CA 90095-1567 (United States); Agarwal, Jessica [Max Planck Institute for Solar System Research, Max-Planck-Str. 2, D-37191 Katlenburg-Lindau (Germany); Peixinho, Nuno [Unidad de Astronomía, Fac. de Ciencias Básicas, Universidad de Antofagasta, Avda. U. de Antofagasta 02800, Antofagasta (Chile); Weaver, Harold [The Johns Hopkins University Applied Physics Laboratory, 11100 Johns Hopkins Road, Laurel, Maryland, MD 20723 (United States); Mutchler, Max [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Larson, Stephen, E-mail: jewitt@ucla.edu [Lunar and Planetary Laboratory, University of Arizona, 1629 E. University Blvd. Tucson AZ 85721-0092 (United States)
2015-02-01
We present initial observations of the newly discovered active asteroid 313P/Gibbs (formerly P/2014 S4), taken to characterize its nucleus and comet-like activity. The central object has a radius ∼0.5 km (geometric albedo 0.05 assumed). We find no evidence for secondary nuclei and set (with qualifications) an upper limit to the radii of such objects near 20 m, assuming the same albedo. Both aperture photometry and a morphological analysis of the ejected dust show that mass-loss is continuous at rates ∼0.2–0.4 kg s{sup −1}, inconsistent with an impact origin. Large dust particles, with radii ∼50–100 μm, dominate the optical appearance. At 2.4 AU from the Sun, the surface equilibrium temperatures are too low for thermal or desiccation stresses to be responsible for the ejection of dust. No gas is spectroscopically detected (limiting the gas mass-loss rate to <1.8 kg s{sup −1}). However, the protracted emission of dust seen in our data and the detection of another episode of dust release near perihelion, in archival observations from 2003, are highly suggestive of an origin by the sublimation of ice. Coincidentally, the orbit of 313P/Gibbs is similar to those of several active asteroids independently suspected to be ice sublimators, including P/2012 T1, 238P/Read, and 133P/Elst–Pizarro, suggesting that ice is abundant in the outer asteroid belt.
A brief critique of the Adam-Gibbs entropy model
Dyre, J. C.; Hecksher, Tina; Niss, Kristine
2009-01-01
This paper critically discusses the entropy model proposed by Adam and Gibbs in 1965 for the dramatic temperature dependence of glass-forming liquids' average relaxation time, which is one of the most influential models during the last four decades. We discuss the Adam-Gibbs model's theoretical...
Self-organization, free energy minimization, and optimal grip on a field of affordances
Jelle eBruineberg
2014-08-01
Full Text Available In this paper, we set out to develop a theoretical and conceptual framework for the new field of Radical Embodied Cognitive Neuroscience. This framework should be able to integrate insights from several relevant disciplines: theory on embodied cognition, ecological psychology, phenomenology, dynamical systems theory, and neurodynamics. We suggest that the main task of Radical Embodied Cognitive Neuroscience is to investigate the phenomenon of skilled intentionality from the perspective of the self-organization of the brain-body-environment system, while doing justice to the phenomenology of skilled action. In previous work, we have characterized skilled intentionality as the organism’s tendency towards an optimal grip on multiple relevant affordances simultaneously. Affordances are possibilities for action provided by the environment. In the first part of this paper, we introduce the notion of skilled intentionality and the phenomenon of responsiveness to a field of relevant affordances. Second, we use Friston’s work on neurodynamics, but embed a very minimal version of his Free Energy Principle in the ecological niche of the animal. Thus amended, this principle is helpful for understanding the embeddedness of neurodynamics within the dynamics of the brain-body-environment system. Next, we show how we can use this adjusted principle to understand the neurodynamics of selective openness to the environment: interacting action-readiness patterns at multiple timescales contribute to the organism’s selective openness to relevant affordances. In the final part of the paper, we emphasize the important role of metastable dynamics in both the brain and the brain-body-environment system for adequate affordance-responsiveness. We exemplify our integrative approach by presenting research on the impact of Deep Brain Stimulation on affordance responsiveness of OCD patients.
Self-organization, free energy minimization, and optimal grip on a field of affordances.
Bruineberg, Jelle; Rietveld, Erik
2014-01-01
In this paper, we set out to develop a theoretical and conceptual framework for the new field of Radical Embodied Cognitive Neuroscience. This framework should be able to integrate insights from several relevant disciplines: theory on embodied cognition, ecological psychology, phenomenology, dynamical systems theory, and neurodynamics. We suggest that the main task of Radical Embodied Cognitive Neuroscience is to investigate the phenomenon of skilled intentionality from the perspective of the self-organization of the brain-body-environment system, while doing justice to the phenomenology of skilled action. In previous work, we have characterized skilled intentionality as the organism's tendency toward an optimal grip on multiple relevant affordances simultaneously. Affordances are possibilities for action provided by the environment. In the first part of this paper, we introduce the notion of skilled intentionality and the phenomenon of responsiveness to a field of relevant affordances. Second, we use Friston's work on neurodynamics, but embed a very minimal version of his Free Energy Principle in the ecological niche of the animal. Thus amended, this principle is helpful for understanding the embeddedness of neurodynamics within the dynamics of the system "brain-body-landscape of affordances." Next, we show how we can use this adjusted principle to understand the neurodynamics of selective openness to the environment: interacting action-readiness patterns at multiple timescales contribute to the organism's selective openness to relevant affordances. In the final part of the paper, we emphasize the important role of metastable dynamics in both the brain and the brain-body-environment system for adequate affordance-responsiveness. We exemplify our integrative approach by presenting research on the impact of Deep Brain Stimulation on affordance responsiveness of OCD patients.
Gibbs-Ringing Artifact Removal Based on Local Subvoxel-shifts
Kellner, Elias; Reisert, Marco
2015-01-01
Gibbs-ringing is a well known artifact which manifests itself as spurious oscillations in the vicinity of sharp image transients, e.g. at tissue boundaries. The origin can be seen in the truncation of k-space during MRI data-acquisition. Consequently, correction techniques like Gegenbauer reconstruction or extrapolation methods aim at recovering these missing data. Here, we present a simple and robust method which exploits a different view on the Gibbs-phenomena. The truncation in k-space can be interpreted as a convolution with a sinc-function in image space. Hence, the severity of the artifacts depends on how the sinc-function is sampled. We propose to re-interpolate the image based on local, subvoxel shifts to sample the ringing pattern at the zero-crossings of the oscillating sinc-function. With this, the artifact can effectively and robustly be removed with a minimal amount of smoothing.
A MultiScale Gibbs-Helmholtz Constrained Cubic Equation of State
Angelo Lucia
2010-01-01
Full Text Available This paper presents a radically new approach to cubic equations of state (EOS in which the Gibbs-Helmholtz equation is used to constrain the attraction or energy parameter, a. The resulting expressions for (, for pure components and (,, for mixtures contain internal energy departure functions and completely avoid the need to use empirical expressions like the Soave alpha function. Our approach also provides a novel and thermodynamically rigorous mixing rule for (,,. When the internal energy departure function is computed using Monte Carlo or molecular dynamics simulations as a function of current bulk phase conditions, the resulting EOS is a multiscale equation of state. The proposed new Gibbs-Helmholtz constrained (GHC cubic equation of state is used to predict liquid densities at high pressure and validated using experimental data from literature. Numerical results clearly show that the GHC EOS provides fast and accurate computation of liquid densities at high pressure, which are needed in the determination of gas hydrate equilibria.
A Gibbs Sampler for Learning DAGs
Goudie, Robert J. B.; Mukherjee, Sach
2017-01-01
We propose a Gibbs sampler for structure learning in directed acyclic graph (DAG) models. The standard Markov chain Monte Carlo algorithms used for learning DAGs are random-walk Metropolis-Hastings samplers. These samplers are guaranteed to converge asymptotically but often mix slowly when exploring the large graph spaces that arise in structure learning. In each step, the sampler we propose draws entire sets of parents for multiple nodes from the appropriate conditional distribution. This provides an efficient way to make large moves in graph space, permitting faster mixing whilst retaining asymptotic guarantees of convergence. The conditional distribution is related to variable selection with candidate parents playing the role of covariates or inputs. We empirically examine the performance of the sampler using several simulated and real data examples. The proposed method gives robust results in diverse settings, outperforming several existing Bayesian and frequentist methods. In addition, our empirical results shed some light on the relative merits of Bayesian and constraint-based methods for structure learning.
New Active Asteroid 313P/Gibbs
Jewitt, David; Peixinho, Nuno; Weaver, Harold; Mutchler, Max; Hui, Man-To; Li, Jing; Larson, Stephen
2014-01-01
We present initial observations of the newly-discovered active asteroid 313P/Gibbs (formerly P/2014 S4), taken to characterize its nucleus and comet-like activity. The central object has a radius $\\sim$0.5 km (geometric albedo 0.05 assumed). We find no evidence for secondary nuclei and set (with qualifications) an upper limit to the radii of such objects near 25 m, assuming the same albedo. Both aperture photometry and a morphological analysis of the ejected dust show that mass-loss is continuous at rates $\\sim$0.2 to 0.4 kg s$^{-1}$, inconsistent with an impact origin. Large dust particles, with radii $\\sim$50 to 100 $\\mu$m, dominate the optical appearance. At 2.4 AU from the Sun, the surface equilibrium temperatures are too low for thermal or desiccation stresses to be responsible for the ejection of dust. No gas is spectroscopically detected (limiting the gas mass loss rate to $<$1.8 kg s$^{-1}$). However, the protracted emission of dust seen in our data and the detection of another episode of dust rele...
Psychoanalytic Interpretation of Blueberries by Susan Gibb
Maya Zalbidea Paniagua
2014-06-01
Full Text Available Blueberries (2009 by Susan Gibb, published in the ELO (Electronic Literature Organization, invites the reader to travel inside the protagonist’s mind to discover real and imaginary experiences examining notions of gender, sex, body and identity of a traumatised woman. This article explores the verbal and visual modes in this digital short fiction following semiotic patterns as well as interpreting the psychological states that are expressed through poetical and technological components. A comparative study of the consequences of trauma in the protagonist will be developed including psychoanalytic theories by Sigmund Freud, Jacques Lacan and the feminist psychoanalysts: Melanie Klein and Bracha Ettinger. The reactions of the protagonist will be studied: loss of reality, hallucinations and Electra Complex, as well as the rise of defence mechanisms and her use of the artistic creativity as a healing therapy. The interactivity of the hypermedia, multiple paths and endings will be analyzed as a literary strategy that increases the reader’s capacity of empathizing with the speaker.
HE Yan; LIU Fei; CAO Hua-jun; LI Cong-bo
2005-01-01
The issue of reducing energy consumption for the job-shop scheduling problem in machining systems is addressed, whose dual objectives are to minimize both the energy consumption and the makespan. First, the biobjective model for the job-shop scheduling problem is proposed. The objective function value of the model represents synthesized optimization of energy consumption and makespan. Then, a heuristic algorithm is developed to locate the optimal or near optimal solutions of the model based on the Tabu search mechanism. Finally, the experimental case is presented to demonstrate the effectiveness of the proposed model and the algorithm.
The Gibbs Thomson effect in magnetron-sputtered austenitic stainless steel films
Cusenza, S.; Borchers, C.; Carpene, E.; Schaaf, P.
2007-03-01
Magnetron sputtering of austenitic stainless steel AISI 316, which has a face-centred cubic structure (γ), leads to films exhibiting a body-centred cubic (α) structure or a mixture of α- and γ-phases. The microstructure of the deposited films was studied by Mössbauer spectroscopy, x-ray diffraction and transmission electron microscopy. With increasing deposition temperature a phase transformation from α- to γ-phase was observed in these films. Instantaneous recording of the electromotive force shows that nickel content and deposition temperature are crucial factors for phase stability and phase formation. In room temperature deposited stainless steel films, the phase transformation after vacuum annealing can be described by the Johnson-Mehl-Avrami kinetic model. These phase transformations in stainless steel films during annealing can be explained with the Gibbs-Thomson effect, where the grain boundary energy raises the Gibbs free energy.
The Gibbs-Thomson effect in magnetron-sputtered austenitic stainless steel films
Cusenza, S [Universitaet Goettingen, II Physikalisches Institut, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Borchers, C [Universitaet Goettingen, II Physikalisches Institut, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Carpene, E [Politecnico di Milano, Dipartimento di Fisica, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Schaaf, P [Universitaet Goettingen, II Physikalisches Institut, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany)
2007-03-14
Magnetron sputtering of austenitic stainless steel AISI 316, which has a face-centred cubic structure ({gamma}), leads to films exhibiting a body-centred cubic ({alpha}) structure or a mixture of {alpha}- and {gamma}-phases. The microstructure of the deposited films was studied by Moessbauer spectroscopy, x-ray diffraction and transmission electron microscopy. With increasing deposition temperature a phase transformation from {alpha}- to {gamma}-phase was observed in these films. Instantaneous recording of the electromotive force shows that nickel content and deposition temperature are crucial factors for phase stability and phase formation. In room temperature deposited stainless steel films, the phase transformation after vacuum annealing can be described by the Johnson-Mehl-Avrami kinetic model. These phase transformations in stainless steel films during annealing can be explained with the Gibbs-Thomson effect, where the grain boundary energy raises the Gibbs free energy.
Wu, Jianlan; Tang, Zhoufei; Gong, Zhihao; Cao, Jianshu; Mukamel, Shaul
2015-04-02
The energy absorbed in a light-harvesting protein complex is often transferred collectively through aggregated chromophore clusters. For population evolution of chromophores, the time-integrated effective rate matrix allows us to construct quantum kinetic clusters quantitatively and determine the reduced cluster-cluster transfer rates systematically, thus defining a minimal model of energy-transfer kinetics. For Fenna-Matthews-Olson (FMO) and light-havrvesting complex II (LCHII) monomers, quantum Markovian kinetics of clusters can accurately reproduce the overall energy-transfer process in the long-time scale. The dominant energy-transfer pathways are identified in the picture of aggregated clusters. The chromophores distributed extensively in various clusters can assist a fast and long-range energy transfer.
Effects of thermal fluctuations on non-minimal regular magnetic black hole
Jawad, Abdul [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); Shahzad, M.U. [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); University of Central Punjab, CAMS, UCP Business School, Lahore (Pakistan)
2017-05-15
We analyze the effects of thermal fluctuations on a regular black hole (RBH) of the non-minimal Einstein-Yang-Mill theory with gauge field of magnetic Wu-Yang type and a cosmological constant. We consider the logarithmic corrected entropy in order to analyze the thermal fluctuations corresponding to non-minimal RBH thermodynamics. In this scenario, we develop various important thermodynamical quantities, such as entropy, pressure, specific heats, Gibb's free energy and Helmholtz free energy. We investigate the first law of thermodynamics in the presence of logarithmic corrected entropy and non-minimal RBH. We also discuss the stability of this RBH using various frameworks such as the γ factor (the ratio of heat capacities), phase transition, grand canonical ensemble and canonical ensemble. It is observed that the non-minimal RBH becomes globally and locally more stable if we increase the value of the cosmological constant. (orig.)
Scherpen, Jacquelien M.A.; Gray, W. Steven
2000-01-01
In this paper a set of sufficient conditions is developed in terms of controllability and observability functions under which a given state-space realization of a formal power series is minimal. Specifically, it is shown that positivity of these functions, in addition to a stability requirement and
Gibbs-ringing artifact removal based on local subvoxel-shifts.
Kellner, Elias; Dhital, Bibek; Kiselev, Valerij G; Reisert, Marco
2016-11-01
To develop a fast and stable method for correcting the gibbs-ringing artifact. Gibbs-ringing is a well-known artifact which manifests itself as spurious oscillations in the vicinity of sharp image gradients at tissue boundaries. The origin can be seen in the truncation of k-space during MRI data-acquisition. Correction techniques like Gegenbauer reconstruction or extrapolation methods aim at recovering these missing data. Here, we present a simple and robust method which exploits a different view on the Gibbs-phenomenon: The truncation in k-space can be interpreted as a convolution of the underlying image with a sinc-function. As the image is reconstructed on a discretized grid, the severity of the ringing artifacts depends on how this grid is located with respect to the edge and the oscillation pattern of the function. We propose to reinterpolate the image based on local, subvoxel-shifts to sample the ringing pattern at the zero-crossings of the oscillating sinc-function. With the proposed method, the artifact can simply, effectively, and robustly be removed with a minimal amount of image smoothing. The robustness of the method suggests it as a suitable candidate for an implementation in the standard image processing pipeline in clinical routine. Magn Reson Med 76:1574-1581, 2016. © 2015 International Society for Magnetic Resonance in Medicine. © 2015 International Society for Magnetic Resonance in Medicine.
Eshaghi, Mehdi; Zarei, Moslem; Riazi, Nematollah; Kiasatpour, Ahmad
2015-11-01
In this work we introduce a new plateau-like inflationary model including a quadratic scalar potential coupled non-minimally to gravity. This potential has a dominant constant energy density at early times which can realize successful inflation. It also includes an infinitesimal non-zero term V0 responsible for explaining dark energy which causing the universe to expand accelerating at the late time. We show that this model predicts small tensor-to-scalar ratio of the order of r≈ 0.01 which is fully consistent with Planck constraints. Using the lower and upper bounds on reheating temperature, we provide additional constraints on the non-minimal coupling parameter ξ of the model. We also study the preheating stage predicted by this kind of potentials using numerical calculations.
Ivanov, A A
2015-01-01
This paper presents the results of searches for anisotropy in arrival directions of ultra-high energy cosmic rays detected with the Yakutsk Array during the 1974--2008 observational period together with available data from other giant extensive air shower arrays working at present. A method of analysis based on a comparison of the minimal width of distributions in equatorial coordinates is applied. As a result, a hypothesis of isotropy in arrival directions is rejected at the $99.5\\%$ significance level. The observed decrease in the minimal width of distribution can be explained by the presence of cosmic ray sources in energy intervals and sky regions according to the recent indications inferred from data of the Yakutsk Array and Telescope Array experiments.
Gibbs-Butzer differential operators on locally compact Vilenkin groups
苏维宜
1996-01-01
The concept of para-differential operators over locally compact Vilenkin groups is given and their properties are studied. By means of para-linearization theorem, efforts are made to establish the basic theory of Gibbs-Butzer differential operators.
Gibbs measures and phase transitions in one-dimensional models
Mallak, Saed
2000-01-01
Ankara : Department of Mathematics and the Institute of Engineering and Sciences of Bilkent University, 2000. Thesis (Ph.D.) -- Bilkent University, 2000. Includes bibliographical references leaves 63-64 In this thesis we study the problem of limit Gibbs measures in one-dimensional models. VVe investigate uniqueness conditions for the limit Gibbs measures for one-dimensional models. VVe construct a one-dimensional model disproving a uniqueness conjecture formulated before for...
M. Yousefi, M. Omid, Sh. Rafiee, S.F. Ghaderi
2013-01-01
Full Text Available Iran's primary energy consumption (PEC was modeled as a linear function of five socioeconomic and meteorological explanatory variables using particle swarm optimization (PSO and artificial neural networks (ANNs techniques. Results revealed that ANN outperforms PSO model to predict test data. However, PSO technique is simple and provided us with a closed form expression to forecast PEC. Energy demand was forecasted by PSO and ANN using represented scenario. Finally, adapting about 10% renewable energy revealed that based on the developed linear programming (LP model under minimum CO2 emissions, Iran will emit about 2520 million metric tons CO2 in 2025. The LP model indicated that maximum possible development of hydropower, geothermal and wind energy resources will satisfy the aim of minimization of CO2 emissions. Therefore, the main strategic policy in order to reduce CO2 emissions would be exploitation of these resources.
Yang, Yongheng; Koutroulis, Eftichios; Sangwongwanich, Ariya
2015-01-01
Several countries with considerable PhotoVoltaic (PV) installations are facing a challenge of overloading the power infrastructure during peak-power production hours. Regulations have been imposed on the PV systems, where more active power control should be flexibly performed. As an advanced...... control strategy, the Absolute Active Power Control (AAPC) can effectively solve the overloading issues by limiting the maximum possible PV power to a certain level (i.e., the power limitation), and also benefit the inverter reliability. However, its feasibility is challenged by the energy loss....... An increase of the inverter lifetime and a reduction of the energy yield can alter the cost of energy, demanding an optimization of the power limitation. Therefore, aiming at minimizing the Levelized Cost of Energy (LCOE), the power limit is optimized for the AAPC strategy in this paper. The optimization...
Yousefi, M.; Omid, M.; Rafiee, Sh. [Department of Agricultural Machinery Engineering, University of Tehran, Karaj (Iran, Islamic Republic of); Ghaderi, S.F. [Department of Industrial Engineering, University of Tehran, Tehran (Iran, Islamic Republic of)
2013-07-01
Iran's primary energy consumption (PEC) was modeled as a linear function of five socioeconomic and meteorological explanatory variables using particle swarm optimization (PSO) and artificial neural networks (ANNs) techniques. Results revealed that ANN outperforms PSO model to predict test data. However, PSO technique is simple and provided us with a closed form expression to forecast PEC. Energy demand was forecasted by PSO and ANN using represented scenario. Finally, adapting about 10% renewable energy revealed that based on the developed linear programming (LP) model under minimum CO2 emissions, Iran will emit about 2520 million metric tons CO2 in 2025. The LP model indicated that maximum possible development of hydropower, geothermal and wind energy resources will satisfy the aim of minimization of CO2 emissions. Therefore, the main strategic policy in order to reduce CO2 emissions would be exploitation of these resources.
Irina Kliopova; Rasa Lieščinskienė
2011-01-01
Lithuanian food and drink sector of industry is characterized by high energy intensity, which is 29% higher than the EU average. At the confectionary plant chosen for the experiment, an environmental impact has been controlled and its maximum managed by creating different procedures to reduce pollution. Assessment of the plant's environmental costs has revealed that the energy costs amount to main part of the environmental ones (up to 55.4%). In recent years several energy efficiency projects...
A Gibbs Formulation for Reactive Materials with Phase Change
Stewart, D. Scott
2015-11-01
A large class of applications have pure, condensed phase constituents that come into contact, chemically react and simultaneously undergo phase change. Phase change in a given molecular material has often been considered to be separate from chemical reaction. Continuum modelers of phase change often use a phase field model whereby an indicator function is allowed to change from one value to another in regions of phase change, governed by evolutionary (Ginzburg-Landau) equations, whereas classic chemical kinetics literally count species concentrations and derive kinetics evolution equations based on species mass transport. We argue the latter is fundamental and is the same as the former, if all species, phase or chemical are treated as distinct chemical species. We pose a self-consistent continuum, thermo-mechanical model to account for significant energetic quantities with correct molecular and continuum limits in the mixture. A single stress tensor, and a single temperature is assumed for the mixture with specified Gibbs potentials for all relevant species, and interaction energies. We discuss recent examples of complex reactive material modeling, drawn from thermitic and propellant combustion that use this new model. DSS supported by DTRA, ONR and AFOSR.
Minimization of energy and surface roughness of the products machined by milling
Belloufi, A.; Abdelkrim, M.; Bouakba, M.; Rezgui, I.
2017-08-01
Metal cutting represents a large portion in the manufacturing industries, which makes this process the largest consumer of energy. Energy consumption is an indirect source of carbon footprint, we know that CO2 emissions come from the production of energy. Therefore high energy consumption requires a large production, which leads to high cost and a large amount of CO2 emissions. At this day, a lot of researches done on the Metal cutting, but the environmental problems of the processes are rarely discussed. The right selection of cutting parameters is an effective method to reduce energy consumption because of the direct relationship between energy consumption and cutting parameters in machining processes. Therefore, one of the objectives of this research is to propose an optimization strategy suitable for machining processes (milling) to achieve the optimum cutting conditions based on the criterion of the energy consumed during the milling. In this paper the problem of energy consumed in milling is solved by an optimization method chosen. The optimization is done according to the different requirements in the process of roughing and finishing under various technological constraints.
IMPROVING THE TRANSMISSION PERFORMANCE BASED ON MINIMIZING ENERGY IN MOBILE ADHOC NETWORKS
Gundala Swathi
2015-06-01
Full Text Available Networking is collectively no of mobile nodes allocate users to correctly detect a distant environment. These wireless mobile networks want strong but simple, scalable, energy efficient and also self organize routing algorithms. In Mobile technology small quantity of power electronics and less power radio frequency have permit the expansion of small, comparatively economical and less power nodes, are associated in a wireless mobile networkIn this study we proposed method are: energy effectiveness, energetic occurrence zone and multiple hop TRANSMIT, taking into concern between the energy of transmit nodes and distance from the transmit node to the trusted neighbor node, link weight energy utilization and distance are measured as most important constraint for decide on greatest possible path from Zone Head (ZH to the neighbor node. In this we use the different constraints and lessen the quantity of distribution messages during the Transmit node choice point to decrease the energy utilization of the complete network.
Reduced impact logging minimally alters tropical rainforest carbon and energy exchange
Miller, Scott D.; Goulden, Michael L.; Hutyra, Lucy R.; Keller, Michael; Saleska, Scott R.; Wofsy, Steven C.; Figueira, Adelaine Michela Silva; da Rocha, Humberto R.; de Camargo, Plinio B.
2011-01-01
We used eddy covariance and ecological measurements to investigate the effects of reduced impact logging (RIL) on an old-growth Amazonian forest. Logging caused small decreases in gross primary production, leaf production, and latent heat flux, which were roughly proportional to canopy loss, and increases in heterotrophic respiration, tree mortality, and wood production. The net effect of RIL was transient, and treatment effects were barely discernable after only 1 y. RIL appears to provide a strategy for managing tropical forest that minimizes the potential risks to climate associated with large changes in carbon and water exchange. PMID:22087005
Reduced impact logging minimally alters tropical rainforest carbon and energy exchange.
Miller, Scott D; Goulden, Michael L; Hutyra, Lucy R; Keller, Michael; Saleska, Scott R; Wofsy, Steven C; Figueira, Adelaine Michela Silva; da Rocha, Humberto R; de Camargo, Plinio B
2011-11-29
We used eddy covariance and ecological measurements to investigate the effects of reduced impact logging (RIL) on an old-growth Amazonian forest. Logging caused small decreases in gross primary production, leaf production, and latent heat flux, which were roughly proportional to canopy loss, and increases in heterotrophic respiration, tree mortality, and wood production. The net effect of RIL was transient, and treatment effects were barely discernable after only 1 y. RIL appears to provide a strategy for managing tropical forest that minimizes the potential risks to climate associated with large changes in carbon and water exchange.
Powell, Kody M.; Kim, Jong Suk; Cole, Wesley J.; Kapoor, Kriti; Mojica, Jose L.; Hedengren, John D.; Edgar, Thomas F.
2016-10-01
District energy systems can produce low-cost utilities for large energy networks, but can also be a resource for the electric grid by their ability to ramp production or to store thermal energy by responding to real-time market signals. In this work, dynamic optimization exploits the flexibility of thermal energy storage by determining optimal times to store and extract excess energy. This concept is applied to a polygeneration distributed energy system with combined heat and power, district heating, district cooling, and chilled water thermal energy storage. The system is a university campus responsible for meeting the energy needs of tens of thousands of people. The objective for the dynamic optimization problem is to minimize cost over a 24-h period while meeting multiple loads in real time. The paper presents a novel algorithm to solve this dynamic optimization problem with energy storage by decomposing the problem into multiple static mixed-integer nonlinear programming (MINLP) problems. Another innovative feature of this work is the study of a large, complex energy network which includes the interrelations of a wide variety of energy technologies. Results indicate that a cost savings of 16.5% is realized when the system can participate in the wholesale electricity market.
Dynamics of expansion of the Universe in the models with non-minimally coupled dark energy
Neomenko, R
2016-01-01
We consider the dark energy model with barotropic equation of state, which interacts with dark matter through gravitation and another force, causing the energy-momentum exchange between them. Both components are described in approximation of ideal fluids, which are parametrized by density and equation of state parameters. Three types of interactions between dark components are considered: the interaction independent from their densities, the one proportional to density of dark energy and the one proportional to density of dark matter. The equations which describe the expansion dynamics of homogeneous and isotropic Universe and evolution of densities of both components for different values of interaction parameter are obtained on the bases of the general covariant conservation equations and Einstein's ones. For three kinds of interactions we show the existence of the range of values of parameters of dark energy for which the densities of dark components and their sum are negative. We find the conditions of pos...
Some Observations on Optimal Frequency Selection in DVFS-based Energy Consumption Minimization
Rizvandi, Nikzad Babaii; Zomaya, Albert Y
2012-01-01
In recent years, the issue of energy consumption in parallel and distributed computing systems has attracted a great deal of attention. In response to this, many energy-aware scheduling algorithms have been developed primarily using the dynamic voltage-frequency scaling (DVFS) capability which has been incorporated into recent commodity processors. Majority of these algorithms involve two passes: schedule generation and slack reclamation. The former pass involves the redistribution of tasks among DVFS-enabled processors based on a given cost function that includes makespan and energy consumption; and, while the latter pass is typically achieved by executing individual tasks with slacks at a lower processor frequency. In this paper, a new slack reclamation algorithm is proposed by approaching the energy reduction problem from a different angle. Firstly, the problem of task slack reclamation by using combinations of processors' frequencies is formulated. Secondly, several proofs are provided to show that (1) if...
Energy barriers, entropy barriers, and non-Arrhenius behavior in a minimal glassy model.
Du, Xin; Weeks, Eric R
2016-06-01
We study glassy dynamics using a simulation of three soft Brownian particles confined to a two-dimensional circular region. If the circular region is large, the disks freely rearrange, but rearrangements are rarer for smaller system sizes. We directly measure a one-dimensional free-energy landscape characterizing the dynamics. This landscape has two local minima corresponding to the two distinct disk configurations, separated by a free-energy barrier that governs the rearrangement rate. We study several different interaction potentials and demonstrate that the free-energy barrier is composed of a potential-energy barrier and an entropic barrier. The heights of both of these barriers depend on temperature and system size, demonstrating how non-Arrhenius behavior can arise close to the glass transition.
Canbay, Çağlar Selçuk; Hepbaşlı, Arif; Gökçen Akkurt, Gülden
2004-01-01
Heating, ventilating and air-conditioning (HVAC) systems in buildings must be integrated with an efficient control scheme to maintain comfort under any load conditions. Efficient HVAC control is often the most cost-effective option to improve the energy efficiency of a building. However, HVAC processes are non-linear, and characteristics change on a seasonal basis so the effect of changing the control strategy is usually difficult to predict. The present study aims to reduce energy consumptio...
Fujisawa, Jun-Ichi; Osawa, Ayumi; Hanaya, Minoru
2016-08-10
Photoinduced carrier injection from dyes to inorganic semiconductors is a crucial process in various dye-sensitized solar energy conversions such as photovoltaics and photocatalysis. It has been reported that an energy offset larger than 0.2-0.3 eV (threshold value) is required for efficient electron injection from excited dyes to metal-oxide semiconductors such as titanium dioxide (TiO2). Because the energy offset directly causes loss in the potential of injected electrons, it is a crucial issue to minimize the energy offset for efficient solar energy conversions. However, a fundamental understanding of the energy offset, especially the threshold value, has not been obtained yet. In this paper, we report the origin of the threshold value of the energy offset, solving the long-standing questions of why such a large energy offset is necessary for the electron injection and which factors govern the threshold value, and suggest a strategy to minimize the threshold value. The threshold value is determined by the sum of two reorganization energies in one-electron reduction of semiconductors and typically-used donor-acceptor (D-A) dyes. In fact, the estimated values (0.21-0.31 eV) for several D-A dyes are in good agreement with the threshold value, supporting our conclusion. In addition, our results reveal that the threshold value is possible to be reduced by enlarging the π-conjugated system of the acceptor moiety in dyes and enhancing its structural rigidity. Furthermore, we extend the analysis to hole injection from excited dyes to semiconductors. In this case, the threshold value is given by the sum of two reorganization energies in one-electron oxidation of semiconductors and D-A dyes.
Mukherjee, Arup K
2011-01-01
Bending of DNA from a straight rod to a circular form in presence of any of the mono-, di-, tri- or tetravalent counterions has been simulated in strong Coulomb coupling environment employing a previously developed energy minimization simulation technique. The inherent characteristics of the simulation technique allow monitoring the required electrostatic contribution to the bending. The curvature of the bending has been found to play crucial roles in facilitating electrostatic attractive potential energy. The total electrostatic potential energy has been found to decrease with bending which indicates that bending a straight DNA to a circular form or to a toroidal form in presence of neutralizing counterions is energetically favorable and practically is a spontaneous phenomenon.
Qiang Lü
Full Text Available BACKGROUND: Protein structure prediction (PSP, which is usually modeled as a computational optimization problem, remains one of the biggest challenges in computational biology. PSP encounters two difficult obstacles: the inaccurate energy function problem and the searching problem. Even if the lowest energy has been luckily found by the searching procedure, the correct protein structures are not guaranteed to obtain. RESULTS: A general parallel metaheuristic approach is presented to tackle the above two problems. Multi-energy functions are employed to simultaneously guide the parallel searching threads. Searching trajectories are in fact controlled by the parameters of heuristic algorithms. The parallel approach allows the parameters to be perturbed during the searching threads are running in parallel, while each thread is searching the lowest energy value determined by an individual energy function. By hybridizing the intelligences of parallel ant colonies and Monte Carlo Metropolis search, this paper demonstrates an implementation of our parallel approach for PSP. 16 classical instances were tested to show that the parallel approach is competitive for solving PSP problem. CONCLUSIONS: This parallel approach combines various sources of both searching intelligences and energy functions, and thus predicts protein conformations with good quality jointly determined by all the parallel searching threads and energy functions. It provides a framework to combine different searching intelligence embedded in heuristic algorithms. It also constructs a container to hybridize different not-so-accurate objective functions which are usually derived from the domain expertise.
Mathur, S.P.
1989-11-01
In 1984 the US Congress enacted the Hazardous and Solid Waste Amendments (HSWA) to the Resource Conservation and Recovery Act (RCRA). One of the goals of this legislation was to focus attention on the need to reduce or eliminate hazardous waste so as to minimize the threat to human health and the environment. Subsequently, in September of 1988, DOE issued a Radioactive Waste Management Policy, DOE Order 5820.2A, and in November a General Environmental Program Order, DOE Order 5400.1. These documents embrace the principles set forth in RCRA, and expand their scope to include radioactive, mixed, and pollutant waste, and all actions for reducing waste from the point of generation through waste treatment, storage, transportation and disposal. This paper will present an overview of the legislation and policies for waste reduction and, in addition, give site responsibilities for implementing waste reduction program activities.
Mathur, S.P.
1989-11-01
In 1984 the US Congress enacted the Hazardous and Solid Waste Amendments (HSWA) to the Resource Conservation and Recovery Act (RCRA). One of the goals of this legislation was to focus attention on the need to reduce or eliminate hazardous waste so as to minimize the threat to human health and the environment. Subsequently, in September of 1988, DOE issued a Radioactive Waste Management Policy, DOE Order 5820.2A, and in November a General Environmental Program Order, DOE Order 5400.1. These documents embrace the principles set forth in RCRA, and expand their scope to include radioactive, mixed, and pollutant waste, and all actions for reducing waste from the point of generation through waste treatment, storage, transportation and disposal. This paper will present an overview of the legislation and policies for waste reduction and, in addition, give site responsibilities for implementing waste reduction program activities.
Canbay, C.S. [Energy Engineering Programme, Izmir Institute of Technology, Izmir (Turkey); Hepbasli, A. [Faculty of Engineering, Mechanical Engineering Department, Ege University, Izmir (Turkey); Gokcen, G. [Faculty of Engineering, Mechanical Engineering Department, Izmir Institute of Technology, Izmir (Turkey)
2004-07-01
Heating, ventilation and air-conditioning (HVAC) systems in buildings must be integrated with an efficient control scheme to maintain comfort under any load conditions. Efficient HVAC control is often the most cost-effective option to improve the energy efficiency of a building. However, HVAC processes are non-linear, and characteristics change on a seasonal basis, so the effect of changing the control strategy is usually difficult to predict. The present study aims to reduce energy consumption by defining new HVAC control strategies and tuning control loops in a shopping centre. First, an energy audit was performed to investigate the potential for energy savings and to redefine the control scenarios, while a methodology for the shopping centre was developed. Performance indices were then calculated and compared with the yardsticks. Next, normalised performance indices were computed to reach out a better understanding of the building's efficiency. Finally, new strategies were implemented with the help of the existing building management system (BMS) and about 22% of energy saving was achieved. (author)
Biomechanical energy harvesting: generating electricity during walking with minimal user effort.
Donelan, J M; Li, Q; Naing, V; Hoffer, J A; Weber, D J; Kuo, A D
2008-02-08
We have developed a biomechanical energy harvester that generates electricity during human walking with little extra effort. Unlike conventional human-powered generators that use positive muscle work, our technology assists muscles in performing negative work, analogous to regenerative braking in hybrid cars, where energy normally dissipated during braking drives a generator instead. The energy harvester mounts at the knee and selectively engages power generation at the end of the swing phase, thus assisting deceleration of the joint. Test subjects walking with one device on each leg produced an average of 5 watts of electricity, which is about 10 times that of shoe-mounted devices. The cost of harvesting-the additional metabolic power required to produce 1 watt of electricity-is less than one-eighth of that for conventional human power generation. Producing substantial electricity with little extra effort makes this method well-suited for charging powered prosthetic limbs and other portable medical devices.
Energy and environment in the 21st century : minimizing climate change.
CERN. Geneva
2003-01-01
Energy demand and economic output are coupled. Both are expected to vastly increase in this century, driven primarily by the economic and population growth of the developing world. If the present reliance on carbon-based fuels as primary energy sources continues, average global temperatures are projected to rise between 3Â° C and 6Â° C. Limiting climate change will require reduction in greenhouse gas emissions far beyond the Kyoto commitments. Time scales and options, including nuclear, will be reviewed.
Guide to Setting Thermal Comfort Criteria and Minimizing Energy Use in Delivering Thermal Comfort
Regnier, Cindy
2012-08-31
Historically thermal comfort in buildings has been controlled by simple dry bulb temperature settings. As we move into more sophisticated low energy building systems that make use of alternate systems such as natural ventilation, mixed mode system and radiant thermal conditioning strategies, a more complete understanding of human comfort is needed for both design and control. This guide will support building designers, owners, operators and other stakeholders in defining quantifiable thermal comfort parameters?these can be used to support design, energy analysis and the evaluation of the thermal comfort benefits of design strategies. This guide also contains information that building owners and operators will find helpful for understanding the core concepts of thermal comfort. Whether for one building, or for a portfolio of buildings, this guide will also assist owners and designers in how to identify the mechanisms of thermal comfort and space conditioning strategies most important for their building and climate, and provide guidance towards low energy design options and operations that can successfully address thermal comfort. An example of low energy design options for thermal comfort is presented in some detail for cooling, while the fundamentals to follow a similar approach for heating are presented.
Guide to Setting Thermal Comfort Criteria and Minimizing Energy Use in Delivering Thermal Comfort
Regnier, Cindy [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
2012-08-01
Historically thermal comfort in buildings has been controlled by simple dry bulb temperature settings. As we move into more sophisticated low energy building systems that make use of alternate systems such as natural ventilation, mixed mode system and radiant thermal conditioning strategies, a more complete understanding of human comfort is needed for both design and control. This guide will support building designers, owners, operators and other stakeholders in defining quantifiable thermal comfort parameters?these can be used to support design, energy analysis and the evaluation of the thermal comfort benefits of design strategies. This guide also contains information that building owners and operators will find helpful for understanding the core concepts of thermal comfort. Whether for one building, or for a portfolio of buildings, this guide will also assist owners and designers in how to identify the mechanisms of thermal comfort and space conditioning strategies most important for their building and climate, and provide guidance towards low energy design options and operations that can successfully address thermal comfort. An example of low energy design options for thermal comfort is presented in some detail for cooling, while the fundamentals to follow a similar approach for heating are presented.
A note on the energy-efficiency investments of an expected cost minimizer
Kooreman, P.; Steerneman, A.G.M.
1998-01-01
This paper analyzes a consumer's choice between a high-efficiency and a low-efficiency version of an energy-using durable when the expected lifetimes of the two versions differ. A (small) difference in expected lifetimes may induce entirely different implications for the behavior of st cost minimizi
Energy minimization using Sobolev gradients application to phase separation and ordering
Sial, S; Lookman, T; Saxena, A
2003-01-01
A common problem in physics and engineering is the calculation of the minima of energy functionals. The theory of Sobolev gradients provides an efficient method for seeking the critical points of such a functional. We apply the method to functionals describing coarse-grained Ginzburg-Landau models commonly used in pattern formation and ordering processes.
Podgornovs Andrejs
2014-12-01
Full Text Available In this paper the electromechanical battery (EMB with synchronous machine is described. Theoretically, if electrical machines rotor stored energy is known, it is possible to reduce the flywheel mass of electromechanical battery. For example, the efficiency of energy recovery (kilowatt-hours out versus kilowatthours in in nowadays appliances exceeds 95 % which is considerably better than of any electrochemical battery, such as lead-acid battery. For the rotor stored energy amount calculation, it is necessary to find all geometrical dimensions of the electrical machine. To achieve this goal the iterative calculation method was used. Electromechanical battery mass was analyzed as a discharge process rotation speed function. Taking into account the rotor stored energy, we can increase the minimum rotation speed thus reducing the electrical machine mass and increasing the flywheel mass, which provides EMB cost reduction. Additionally, the possibilities of using numerical approximation calculations of magnetization curves are discussed. Each iteration of numerical application necessary for the method for rapid calculation is essential when calculating the field problems. Nowadays there are a lot of computer added design programs for electromagnetic field calculation in different types of applications, electrical machines and apparatus. For the electromagnetic field calculation process some more commonly used magnetization curve approximation methods are described, and the machine calculation time is tested for different numbers of calculations.
Energy Minimization of Discrete Protein Titration State Models Using Graph Theory
Purvine, Emilie AH; Monson, Kyle E.; Jurrus, Elizabeth R.; Star, Keith T.; Baker, Nathan A.
2016-09-01
There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial-time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of maximum flow-minimum cut graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein, and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial-time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered.
Pirogov, Yury F
2016-01-01
In the framework of the minimal quartet-metric gravity/systogravity, a scalar graviton/systolon is stated as a universal dark component, with supplementary manifestations in the different contexts either as dark matter or dark energy. An ensuing extension to the standard {\\Lambda}CDM model is developed. A modification of the late expansion of the Universe, with an attractor of a scalar master equation defining an effective cosmological constant, which supersedes the true one, is proposed. A new partial solution to the cosmological constant problem is discussed.
A Method for Online Steady State Energy Minimization with Application to Refrigeration Systems
Larsen, Lars Finn Slot; Thybo, Claus; Stoustrup, Jakob;
2004-01-01
Energy efficiency of refrigeration systems has gradually been improved with the help of control schemes utilizing the more flexible components; the efficiency is though yet far from optimal. The flexibility initiates a higher degree of freedom in choosing the operating set points while obtaining...... the required cooling capacity. This paper proposes an approach which utilizes this newly gained degree of freedom to drive the system towards the energy optimal set-point while keeping up the cooling capacity. The focus of this paper is on refrigeration system however the generality of the proposed method thus...... applies to a broader range of process systems where the lower level set-points (in the control hierarchy) can be chosen within a degree of freedom allowing an optimization of a steady state performance index....
Minimizing Wind Power Producer's Balancing Costs Using Electrochemical Energy Storage: Preprint
Miettinen, J.; Tikka, V.; Lassila, J.; Partanen, J.; Hodge, B. M.
2014-08-01
This paper examines how electrochemical energy storage can be used to decrease the balancing costs of a wind power producer in the Nordic market. Because electrochemical energy storage is developing in both technological and financial terms, a sensitivity analysis was carried out for the most important variables in the wind-storage hybrid system. The system was studied from a wind power producer's point of view. The main result is that there are no technical limitations to using storage for reducing the balancing costs. However, in terms of economic feasibility, installing hybrid wind-storage systems such as the one studied in this paper faces challenges in both the short and long terms.
Minimizing Wind Power Producer's Balancing Costs Using Electrochemical Energy Storage: Preprint
Miettinen, J.; Tikka, V.; Lassila, J.; Partanen, J.; Hodge, B. M.
2014-08-01
This paper examines how electrochemical energy storage can be used to decrease the balancing costs of a wind power producer in the Nordic market. Because electrochemical energy storage is developing in both technological and financial terms, a sensitivity analysis was carried out for the most important variables in the wind-storage hybrid system. The system was studied from a wind power producer's point of view. The main result is that there are no technical limitations to using storage for reducing the balancing costs. However, in terms of economic feasibility, installing hybrid wind-storage systems such as the one studied in this paper faces challenges in both the short and long terms.
Jie Zhang
2015-08-01
Full Text Available An intra-urban hierarchy of activity centers interconnected by non-motorized and public transportation is broadly believed to be the ideal urban spatial structure for sustainable cities. However, the proper hinterland area for centers at each level lacks empirical study. Based on the concentric structure of everyday travel distances, working centers, shopping centers, and neighborhood centers are extracted from corresponding types of POIs in 286 Chinese cities at the prefectural level and above. A U-shaped curve between Household Transportation Energy Consumption (HTEC per capita and center density at each of the three levels has been found through regression analysis. An optimal intra-urban hierarchy of activity centers is suggested to construct energy-efficient cities.
Communication: system-size scaling of Boltzmann and alternate Gibbs entropies.
Vilar, Jose M G; Rubi, J Miguel
2014-05-28
It has recurrently been proposed that the Boltzmann textbook definition of entropy S(E) = k ln Ω(E) in terms of the number of microstates Ω(E) with energy E should be replaced by the expression S(G)(E) = k ln Σ(E' < E)Ω(E') examined by Gibbs. Here, we show that SG either is equivalent to S in the macroscopic limit or becomes independent of the energy exponentially fast as the system size increases. The resulting exponential scaling makes the realistic use of SG unfeasible and leads in general to temperatures that are inconsistent with the notions of hot and cold.
Green Computing – An Eco friendly Approach for Energy Efficiency and Minimizing E-Waste
Vinoth Kumar T., Kiruthiga P.
2014-05-01
Full Text Available The need for environmentally friendly computing gadgets and energy saving devices, under the auspices of „Green Computing‟ has become a global phenomenon with the aim to reduce environmental decadence that emanates from abuse and the rising threat of global warming. . “Green computing” represents environmentally responsible way to reduce power and environmental e-waste. Green computing is the practice of using computing resources efficiently. The goals are to reduce the use of hazardous materials, maximize energy efficiency during the product's lifetime, and promote recyclability or biodegradability of defunct products and factory waste. It‟s known that as the economy expands, the demand for computing devices rises as business and individuals seek faster way of doing things –„‟The Computing way‟‟. Information technological devices are upgraded rapidly due to the need for speed, flexibility, simplicity and cost effectiveness; thus outdating the previous technology. Hence we need to implement energy-efficient central processing units (CPUs, servers and peripherals with reduced resource consumption and proper disposal of electronic waste (e-waste.
Belyaev, M. Yu.; Legostaev, V. P.; Rulev, D. N.
2013-12-01
An approach to solving the problem of optimal scheduling of the sequence of spacecraft reorientations during observations of astronomical objects is discussed. The approach is based on problem formalization within the framework of graph theory and reduction of the problem to routing. Examples of constructing optimal observational programs for chosen stars are given. These examples show that the proposed approach offers the possibility of a significant reduction in energy expenditures for spacecraft reorientation. The applicability of the mentioned approach to optimizing traffic routes in various subnational entities is noted.
A biomolecular implementation of logically reversible computation with minimal energy dissipation.
Klein, J P; Leete, T H; Rubin, H
1999-10-01
Energy dissipation associated with logic operations imposes a fundamental physical limit on computation and is generated by the entropic cost of information erasure, which is a consequence of irreversible logic elements. We show how to encode information in DNA and use DNA amplification to implement a logically reversible gate that comprises a complete set of operators capable of universal computation. We also propose a method using this design to connect, or 'wire', these gates together in a biochemical fashion to create a logic network, allowing complex parallel computations to be executed. The architecture of the system permits highly parallel operations and has properties that resemble well known genetic regulatory systems.
Pickering, Luke
2016-01-01
We present a Monte Carlo truth study examining nuclear effects in charged-current neutrino interactions using observables constructed in the transverse plane. Three distributions are introduced that show very weak dependence on neutrino flux and its associated uncertainty. Measurements comparing these distributions between quasi-elastic-like and single charged pion final states will provide new constraints of nuclear effects. It is suggested that the on-axis position in the NuMI beam provides the correct flux to take advantage of this reduced energy dependence in measuring nuclear effect-generated transverse imbalances.
Aiyun Gao
2017-01-01
Full Text Available A real-time optimal control of parallel hybrid electric vehicles (PHEVs with the equivalent consumption minimization strategy (ECMS is presented in this paper, whose purpose is to achieve the total equivalent fuel consumption minimization and to maintain the battery state of charge (SOC within its operation range at all times simultaneously. Vehicle and assembly models of PHEVs are established, which provide the foundation for the following calculations. The ECMS is described in detail, in which an instantaneous cost function including the fuel energy and the electrical energy is proposed, whose emphasis is the computation of the equivalent factor. The real-time optimal control strategy is designed through regarding the minimum of the total equivalent fuel consumption as the control objective and the torque split factor as the control variable. The validation of the control strategy proposed is demonstrated both in the MATLAB/Simulink/Advisor environment and under actual transportation conditions by comparing the fuel economy, the charge sustainability, and parts performance with other three control strategies under different driving cycles including standard, actual, and real-time road conditions. Through numerical simulations and real vehicle tests, the accuracy of the approach used for the evaluation of the equivalent factor is confirmed, and the potential of the proposed control strategy in terms of fuel economy and keeping the deviations of SOC at a low level is illustrated.
Zagrebaev, A. M.; Ramazanov, R. N.; Lunegova, E. A.
2017-01-01
In this paper we consider the optimization problem minimize of the energy loss of nuclear power plants in case of partial in-core monitoring system failure. It is possible to continuation of reactor operation at reduced power or total replacement of the channel neutron measurements, requiring shutdown of the reactor and the stock of detectors. This article examines the reconstruction of the energy release in the core of a nuclear reactor on the basis of the indications of height sensors. The missing measurement information can be reconstructed by mathematical methods, and replacement of the failed sensors can be avoided. It is suggested that a set of ‘natural’ functions determined by means of statistical estimates obtained from archival data be constructed. The procedure proposed makes it possible to reconstruct the field even with a significant loss of measurement information. Improving the accuracy of the restoration of the neutron flux density in partial loss of measurement information to minimize the stock of necessary components and the associated losses.
Li, Mengmeng; Bijker, Wietske; Stein, Alfred
2015-04-01
Two main challenges are faced when classifying urban land cover from very high resolution satellite images: obtaining an optimal image segmentation and distinguishing buildings from other man-made objects. For optimal segmentation, this work proposes a hierarchical representation of an image by means of a Binary Partition Tree (BPT) and an unsupervised evaluation of image segmentations by energy minimization. For building extraction, we apply fuzzy sets to create a fuzzy landscape of shadows which in turn involves a two-step procedure. The first step is a preliminarily image classification at a fine segmentation level to generate vegetation and shadow information. The second step models the directional relationship between building and shadow objects to extract building information at the optimal segmentation level. We conducted the experiments on two datasets of Pléiades images from Wuhan City, China. To demonstrate its performance, the proposed classification is compared at the optimal segmentation level with Maximum Likelihood Classification and Support Vector Machine classification. The results show that the proposed classification produced the highest overall accuracies and kappa coefficients, and the smallest over-classification and under-classification geometric errors. We conclude first that integrating BPT with energy minimization offers an effective means for image segmentation. Second, we conclude that the directional relationship between building and shadow objects represented by a fuzzy landscape is important for building extraction.
Binding effects in multivalent Gibbs-Donnan equilibrium
Castelnovo, M; Castelnovo, Martin; Evilevitch, Alex
2005-01-01
The classical Gibbs-Donnan equilibrium describes excess osmotic pressure associated with confined colloidal charges embedded in an electrolyte solution. In this work, we extend this approach to describe the influence of multivalent ion binding on the equilibrium force acting on a charged rod translocating between two compartments, thereby mimicking ionic effects on force balance during in vitro DNA ejection from bacteriophage. The subtle interplay between Gibbs-Donnan equilibrium and adsorption equilibrium leads to a non-monotonic variation of the ejection force as multivalent salt concentration is increased, in qualitative agreement with experimental observations.
Non-Equilibrium Gibbs' Criterion for Completely Wetting Volatile Liquids
Tsoumpas, Yannis; Galvagno, Mariano; Rednikov, Alexey; Ottevaere, Heidi; Thiele, Uwe; Colinet, Pierre
2014-01-01
During the spreading of a liquid over a solid substrate, the contact line can stay pinned at sharp edges until the contact angle exceeds a critical value. At (or sufficiently near) equilibrium, this is known as Gibbs' criterion. Here, we show both experimentally and theoretically that for completely wetting volatile liquids there also exists a dynamically-produced critical angle for depinning, which increases with the evaporation rate. This suggests that one may introduce a simple modification of the Gibbs' criterion for (de)pinning, that accounts for the non-equilibrium effect of evaporation.
A computational thermodynamics approach to the Gibbs-Thomson effect
Shahandeh, Sina [Department of Material Science and Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)]. E-mail: sinashahandeh@yahoo.com; Nategh, Said [Department of Material Science and Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)
2007-01-15
In two-phase system, curvature of interface leads to increase of solute concentration in matrix. This effect plays a significant role in solidification, precipitation, nucleation and growth and coarsening. There are number of models and formulas for Gibbs-Thomson effect in binary alloys. In this paper with the help of CALPHAD calculations, new approach for describing this effect in binary and multicomponent systems is proposed. In this generalized method no traditional simplifying assumption are considered and this yield to more accurate result for Gibbs-Thomson phenomenon. This model is compared with previous formulas in some case alloying systems.
Energy minimization of separation processes using conventional/membrane hybrid systems
Gottschlich, D.E.; Roberts, D.L. (SRI International, Menlo Park, CA (USA))
1990-09-28
The purpose of this study was to identify the general principles governing the choice of hybrid separation systems over straight membrane or straight nonmembrane systems and to do so by examining practical applications (process design and economics). Our focus was to examine the energy consumption characteristics and overall cost factors of the membrane and nonmembrane technologies that cause hybrid systems to be preferred over nonhybrid systems. We evaluated four cases studies, chosen on the basis of likelihood of commercial viability of a hybrid system and magnitude of energy savings: (1) propane/propylene separation; (2) removal of nitrogen from natural gas; (3) concentration of Kraft black liquor; and (4)solvent deasphalting. For propane/propylene splitting, the membrane proved to be superior to distillation in both thermodynamic efficiency and processing cost (PC) when the product was 95% pure propylene. However, to produce higher purity products, the membrane alone could not perform the separation, and a membrane/distillation hybrid was required. In these cases, there is an optimum amount of separation to be accomplished by the membrane (expressed as the fraction of the total availability change of the membrane/distillation hybrid that takes place in the membrane and defined as {phi}{sub m}, the thermodynamic extent of separation). Qualitative and quantitative guidelines are discussed with regard to choosing a hybrid system. 54 refs., 66 figs., 36 tabs.
Susan J. Foulk
2012-07-24
Project Objective: The objectives of this study are to develop an accurate and stable on-line sensor system to monitor color and composition on-line in polymer melts, to develop a scheme for using the output to control extruders to eliminate the energy, material and operational costs of off-specification product, and to combine or eliminate some extrusion processes. Background: Polymer extrusion processes are difficult to control because the quality achieved in the final product is complexly affected by the properties of the extruder screw, speed of extrusion, temperature, polymer composition, strength and dispersion properties of additives, and feeder system properties. Extruder systems are engineered to be highly reproducible so that when the correct settings to produce a particular product are found, that product can be reliably produced time after time. However market conditions often require changes in the final product, different products or grades may be processed in the same equipment, and feed materials vary from lot to lot. All of these changes require empirical adjustment of extruder settings to produce a product meeting specifications. Optical sensor systems that can continuously monitor the composition and color of the extruded polymer could detect process upsets, drift, blending oscillations, and changes in dispersion of additives. Development of an effective control algorithm using the output of the monitor would enable rapid corrections for changes in materials and operating conditions, thereby eliminating most of the scrap and recycle of current processing. This information could be used to identify extruder systems issues, diagnose problem sources, and suggest corrective actions in real-time to help keep extruder system settings within the optimum control region. Using these advanced optical sensor systems would give extruder operators real-time feedback from their process. They could reduce the amount of off-spec product produced and
Detuning Minimization of Induction Motor Drive System for Alternative Energy Vehicles
Habibur Rehman
2015-08-01
Full Text Available This paper evaluates different types of AC machines and various control techniques for their suitability for the drive system of Alternative Energy Vehicles (AEV. An Indirect Field Oriented (IFO drive system for the AEV application is chosen and its major problem of detuning is addressed by designing an offline and an online rotor resistance adaptation technique. The offline scheme sets the slip gain at various operating conditions based on the fact that if the rotor resistance is set correctly and field orientation is achieved, then there should be a linear relationship between the torque current and the output torque. The online technique is designed using Model Reference Adaptive System (MRAS for the rotor resistance adaptation. For an ideal field oriented machine, the rotor flux along the q-axis should be zero. This condition acts as a reference model for the proposed MRAS scheme. The current model flux observer in the synchronous frame of reference is selected as an adjustable model and its rotor resistance is tuned so that the flux along the q-axis becomes zero. The effectiveness of the offline tuning scheme is evident through performance validation of the drive system, which is implemented in a real Ford vehicle. The experimental results obtained while driving the test vehicle are included in the paper while the proposed online scheme is validated on a 3.75 kW prototype induction motor.
Expanding gas clouds of ellipsoidal shape - the solutions of minimal energy
Gaffet, B.
1999-07-01
Ovsiannikov [Dokl. Akad. Nauk SSSR 111 (1965)] and Dyson [J. Math. Mech. 18 (1968) 91] have proposed a model of an ellipsoidal gas cloud adiabatically expanding into a vacuum, and have shown that the equations of fluid motion are thereby reduced to a set of ordinary differential equations, of order 18 in the most general case. Gaffet [J. Fluid Mech. 325 (1996) 113] has shown that their integration reduces to quadratures (if the gas is monatomic and there is no rotating motion of the ellipsoid’s principal axes), as a result of the existence of two integrals of the motion, m and I2. In the present work we establish the minimum value m0( I2) of m, compatible with the existence of physically meaningful solutions. We succeed in performing the separation of variables, and obtain the unexpected result that, when the energy integral m takes its minimum value m0( I2), the general solution of the equations of motion is described by elliptic functions.
Thermodynamic free-energy minimization for unsupervised fusion of dual-color infrared breast images
Szu, Harold; Miao, Lidan; Qi, Hairong
2006-04-01
function [A] may vary from the point tumor to its neighborhood, we could not rely on neighborhood statistics as did in a popular unsupervised independent component analysis (ICA) mathematical statistical method, we instead impose the physics equilibrium condition of the minimum of Helmholtz free-energy, H = E - T °S. In case of the point breast cancer, we can assume the constant ground state energy E ° to be normalized by those benign neighborhood tissue, and then the excited state can be computed by means of Taylor series expansion in terms of the pixel I/O data. We can augment the X-ray mammogram technique with passive IR imaging to reduce the unwanted X-rays during the chemotherapy recovery. When the sequence is animated into a movie, and the recovery dynamics is played backward in time, the movie simulates the cameras' potential for early detection without suffering the PD=0.1 search uncertainty. In summary, we applied two satellite-grade dual-color IR imaging cameras and advanced military (automatic target recognition) ATR spectrum fusion algorithm at the middle wavelength IR (3 - 5μm) and long wavelength IR (8 - 12μm), which are capable to screen malignant tumors proved by the time-reverse fashion of the animated movie experiments. On the contrary, the traditional thermal breast scanning/imaging, known as thermograms over decades, was IR spectrum-blind, and limited to a single night-vision camera and the necessary waiting for the cool down period for taking a second look for change detection suffers too many environmental and personnel variabilities.
Oware, E. K.
2015-12-01
Modeling aquifer heterogeneities (AH) is a complex, multidimensional problem that mostly requires stochastic imaging strategies for tractability. While the traditional Bayesian Markov chain Monte Carlo (McMC) provides a powerful framework to model AH, the generic McMC is computationally prohibitive and, thus, unappealing for large-scale problems. An innovative variant of the McMC scheme that imposes priori spatial statistical constraints on model parameter updates, for improved characterization in a computationally efficient manner is proposed. The proposed algorithm (PA) is based on Markov random field (MRF) modeling, which is an image processing technique that infers the global behavior of a random field from its local properties, making the MRF approach well suited for imaging AH. MRF-based modeling leverages the equivalence of Gibbs (or Boltzmann) distribution (GD) and MRF to identify the local properties of an MRF in terms of the easily quantifiable Gibbs energy. The PA employs the two-step approach to model the lithological structure of the aquifer and the hydraulic properties within the identified lithologies simultaneously. It performs local Gibbs energy minimizations along a random path, which requires parameters of the GD (spatial statistics) to be specified. A PA that implicitly infers site-specific GD parameters within a Bayesian framework is also presented. The PA is illustrated with a synthetic binary facies aquifer with a lognormal heterogeneity simulated within each facies. GD parameters of 2.6, 1.2, -0.4, and -0.2 were estimated for the horizontal, vertical, NESW, and NWSE directions, respectively. Most of the high hydraulic conductivity zones (facies 2) were fairly resolved (see results below) with facies identification accuracy rate of 81%, 89%, and 90% for the inversions conditioned on concentration (R1), resistivity (R2), and joint (R3), respectively. The incorporation of the conditioning datasets improved on the root mean square error (RMSE
Minimal Pairs: Minimal Importance?
Brown, Adam
1995-01-01
This article argues that minimal pairs do not merit as much attention as they receive in pronunciation instruction. There are other aspects of pronunciation that are of greater importance, and there are other ways of teaching vowel and consonant pronunciation. (13 references) (VWL)
A logistic regression estimating function for spatial Gibbs point processes
Baddeley, Adrian; Coeurjolly, Jean-François; Rubak, Ege
We propose a computationally efficient logistic regression estimating function for spatial Gibbs point processes. The sample points for the logistic regression consist of the observed point pattern together with a random pattern of dummy points. The estimating function is closely related...
Calculation of the chemical potential in the Gibbs ensemble
Smit, B.; Frenkel, D.
1989-01-01
An expression for the chemical potential in the Gibbs ensemble is derived. For finite system sizes this expression for the chemical potential differs system-atically from Widom's test particle insertion method for the N, V, T ensemble. In order to compare these two methods for calculating the chemic
Multifractal Analysis of Local Entropies for Gibbs Measures
Takens, Floris; Verbitski, Evgeni
1998-01-01
Recently a complete multifractal analysis of local dimensions, entropies and Lyapunov exponents of conformal expanding maps and surface Axion A diffeomorphisms for Gibbs measures was performed. The main goal of this was primarily the analysis of the local (pointwise) dimensions. This is an extremely
Bayesian Estimation of the DINA Model with Gibbs Sampling
Culpepper, Steven Andrew
2015-01-01
A Bayesian model formulation of the deterministic inputs, noisy "and" gate (DINA) model is presented. Gibbs sampling is employed to simulate from the joint posterior distribution of item guessing and slipping parameters, subject attribute parameters, and latent class probabilities. The procedure extends concepts in Béguin and Glas,…
Virial theorem and Gibbs thermodynamic potential for Coulomb systems
Bobrov, V. B., E-mail: vic5907@mail.ru, E-mail: satron@mail.ru [Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya St. 13, Bd. 2, Moscow 125412 (Russian Federation); National Research University “MPEI,” Krasnokazarmennaya str. 14, Moscow 111250 (Russian Federation); Trigger, S. A., E-mail: vic5907@mail.ru, E-mail: satron@mail.ru [Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya St. 13, Bd. 2, Moscow 125412 (Russian Federation); Institut für Physik, Humboldt-Universität zu Berlin, Newtonstraße 15, Berlin D-12489 (Germany)
2014-10-15
Using the grand canonical ensemble and the virial theorem, we show that the Gibbs thermodynamic potential of the non-relativistic system of charged particles is uniquely defined by single-particle Green functions of electrons and nuclei. This result is valid beyond the perturbation theory with respect to the interparticle interaction.
Exploring Fourier Series and Gibbs Phenomenon Using Mathematica
Ghosh, Jonaki B.
2011-01-01
This article describes a laboratory module on Fourier series and Gibbs phenomenon which was undertaken by 32 Year 12 students. It shows how the use of CAS played the role of an "amplifier" by making higher level mathematical concepts accessible to students of year 12. Using Mathematica students were able to visualise Fourier series of…
Skrabacz, J
2008-01-01
The objective of this project is to propose an optimal design of a recirculating electron linac for a future LHC-based e-p collider_the LHeC [1, 2]. Primary considerations are the cost, structure, shape, and size of the recirculating track, the optimal number of revolutions through which the e-beam should be accelerated, and radiative energy loss in the bends. Secondary considerations are transverse emittance growth due to radiation, the number of dipoles needed in order to maintain an upper bound on the emittance growth, the average length of such dipoles, and the maximum bending dipole field needed to recirculate the beam. These effects will be studied macroscopically with respect to the overall structure, in that smaller effects related to machine optics of the lattice structure will be neglected. The scope of the optimization problem is, in essence, a "first order" insight into optimal dimensions, centered on minimizing the most important parameter_cost.
Xiangjun Liu; Xuchang Xu; Wurong Zhang
2006-01-01
A simulation method of dense particle-gas two-phase flow has been developed. The binding force is introduced to present the impact of particle clustering and its expression is deduced according to the principle of minimal potential energy. The cluster collision,break-up and coalescence models are proposed based on the assumption that the particle cluster are treated as one discrete phase. These models are used to numerically study the two-phase flow field in a circulating fluidized bed (CFB). Detailed results of the cluster structure, cluster size, particle volume fraction, gas velocity, and particle velocity are obtained. The correlation between the simulation results and experimental data justifies that these models and algorithm are reasonable, and can be used to efficiently study the dense particle-gas two-phase flow.
Austin, Gregory L; Krueger, Patrick M
2013-10-01
The optimal diet composition to prevent obesity and its complications is unknown. Study aims were to determine the association of diet composition with energy intake, homeostatic model assessment-insulin resistance (HOMA-IR), and C-reactive protein (CRP). Data were from the NHANES for eligible adults aged 20-74 y from 2005 to 2006 (n = 3073). Energy intake and diet composition were obtained by dietary recall. HOMA-IR was calculated from fasting insulin and glucose concentrations, and CRP was measured directly. Changes for a 1-point increase in percentage of sugar, saturated fatty acids (SFAs), monounsaturated fatty acids (MUFAs), polyunsaturated fatty acids (PUFAs), and alcohol were determined across their means in exchange for a 1-point decrease in percentage of nonsugar carbohydrates. Regression analyses were performed, and means ± SEs were estimated. Increasing the percentage of sugar was associated with increased energy intake in men (23 ± 5 kcal; P intake. In women, increasing percentages of SFAs (27 ± 10 kcal; P = 0.02), PUFAs (43 ± 6 kcal; P intake. Increasing the percentage of alcohol was associated with increased energy intake in men (38 ± 7 kcal; P sugar, fats, and alcohol was associated with substantially increased energy intake but had minimal association with HOMA-IR and CRP.
Zapoměl, J.; Ferfecki, P.
2016-09-01
A frequently used technological solution for minimization of undesirable effects caused by vibration of rotating machines consists in placing damping devices in the rotor supports. The application of magnetorheological squeeze film dampers enables their optimum performance to be achieved in a wide range of rotating speeds by adapting their damping effect to the current operating conditions. The damping force, which is produced by squeezing the layer of magnetorheological oil, can be controlled by changing magnetic flux passing through the lubricant. The force acting between the rotor and its frame is transmitted through the rolling element bearing, the lubricating layer and the squirrel spring. The loading of the bearing produces a time variable friction moment, energy losses, uneven rotor running, and has an influence on the rotor service life and the current fluctuation in electric circuits. The carried out research consisted in the development of a mathematical model of a magnetorheological squeeze film damper, its implementation into the computational models of rotor systems, and in performing the study on the dependence of the energy losses and variation of the friction moment on the damping force and its control. The new and computationally stable mathematical model of a magnetorheological squeeze film damper, its implementation in the computational models of rigid rotors and learning more on the energy losses generated in the rotor supports in dependence on the damping effect are the principal contributions of this paper. The results of the computational simulations prove that a suitable control of the damping force enables the energy losses to be reduced in a wide velocity range.
Kalashev, O; Semikoz, Dmitry V
2007-01-01
In a recently proposed model the cosmic rays spectrum at energies above EeV can be fitted with a minimal number of unknown parameters assuming that the extragalactic cosmic rays are only protons with a power law source spectrum. Within this minimal model, after fitting the observed HiRes spectrum with four parameters (proton injection spectrum power law index, maximum energy, minimum distance to sources and evolution parameter) we compute the flux of ultra-high energy photons due to photon-pion production and e+e- pair production by protons for several radio background models and a range of average extragalactic magnetic fields.
Accuracy of Parameter Estimation in Gibbs Sampling under the Two-Parameter Logistic Model.
Kim, Seock-Ho; Cohen, Allan S.
The accuracy of Gibbs sampling, a Markov chain Monte Carlo procedure, was considered for estimation of item and ability parameters under the two-parameter logistic model. Memory test data were analyzed to illustrate the Gibbs sampling procedure. Simulated data sets were analyzed using Gibbs sampling and the marginal Bayesian method. The marginal…
Gibbs artifact reduction for POCS super-resolution image reconstruction
Chuangbai XIAO; Jing YU; Kaina SU
2008-01-01
The topic of super-resolution image reconstruc-tion has recently received considerable attention among the research community. Super-resolution image reconstruc-tion methods attempt to create a single high-resolution image from a number of low-resolution images (or a video sequence). The method of projections onto convex sets (POCS) for super-resolution image reconstruction attracts many researchers' attention. In this paper, we propose an improvement to reduce the amount of Gibbs artifacts pre-senting on the edges of the high-resolution image recon-structed by the POCS method. The proposed method weights the blur PSF centered at an edge pixel with an exponential function, and consequently decreases the coef-ficients of the PSF in the direction orthogonal to the edge. Experiment results show that the modification reduces effectively the visibility of Gibbs artifacts on edges and improves obviously the quality of the reconstructed high-resolution image.
Accelerated Gibbs Sampling for Infinite Sparse Factor Analysis
Andrzejewski, D M
2011-09-12
The Indian Buffet Process (IBP) gives a probabilistic model of sparse binary matrices with an unbounded number of columns. This construct can be used, for example, to model a fixed numer of observed data points (rows) associated with an unknown number of latent features (columns). Markov Chain Monte Carlo (MCMC) methods are often used for IBP inference, and in this technical note, we provide a detailed review of the derivations of collapsed and accelerated Gibbs samplers for the linear-Gaussian infinite latent feature model. We also discuss and explain update equations for hyperparameter resampling in a 'full Bayesian' treatment and present a novel slice sampler capable of extending the accelerated Gibbs sampler to the case of infinite sparse factor analysis by allowing the use of real-valued latent features.
Work producing reservoirs: Stochastic thermodynamics with generalized Gibbs ensembles
Horowitz, Jordan M.; Esposito, Massimiliano
2016-08-01
We develop a consistent stochastic thermodynamics for environments composed of thermodynamic reservoirs in an external conservative force field, that is, environments described by the generalized or Gibbs canonical ensemble. We demonstrate that small systems weakly coupled to such reservoirs exchange both heat and work by verifying a local detailed balance relation for the induced stochastic dynamics. Based on this analysis, we help to rationalize the observation that nonthermal reservoirs can increase the efficiency of thermodynamic heat engines.
Temperature of critical clusters in nucleation theory: generalized Gibbs' approach.
Schmelzer, Jürn W P; Boltachev, Grey Sh; Abyzov, Alexander S
2013-07-21
According to the classical Gibbs' approach to the description of thermodynamically heterogeneous systems, the temperature of the critical clusters in nucleation is the same as the temperature of the ambient phase, i.e., with respect to temperature the conventional macroscopic equilibrium conditions are assumed to be fulfilled. In contrast, the generalized Gibbs' approach [J. W. P. Schmelzer, G. Sh. Boltachev, and V. G. Baidakov, J. Chem. Phys. 119, 6166 (2003); and ibid. 124, 194503 (2006)] predicts that critical clusters (having commonly spatial dimensions in the nanometer range) have, as a rule, a different temperature as compared with the ambient phase. The existence of a curved interface may lead, consequently, to an equilibrium coexistence of different phases with different temperatures similar to differences in pressure as expressed by the well-known Laplace equation. Employing the generalized Gibbs' approach, it is demonstrated that, for the case of formation of droplets in a one-component vapor, the temperature of the critical droplets can be shown to be higher as compared to the vapor. In this way, temperature differences between critically sized droplets and ambient vapor phase, observed in recent molecular dynamics simulations of argon condensation by Wedekind et al. [J. Chem. Phys. 127, 064501 (2007)], can be given a straightforward theoretical interpretation. It is shown as well that - employing the same model assumptions concerning bulk and interfacial properties of the system under consideration - the temperature of critical bubbles in boiling is lower as compared to the bulk liquid.
Mandal, Gautam
2013-01-01
Quantum quench dynamics is considered in a one dimensional unitary matrix model with a single trace potential. This model is integrable and has been studied in the context of non-critical string theory. We find dynamical phase transitions, and study the role of the quantum critical point. In course of the time evolutions, we find evidence of selective equilibration for a certain class of observables. The equilibrium is governed by the Generalized Gibbs Ensemble (GGE) and differs from the standard Gibbs ensemble. We compute the production of entropy which is O(N) for large N matrices. An important feature of the equilibration is the appearance of an energy cascade, reminiscent of the Richardson cascade in turbulence, where we find flow of energy from initial long wavelength modes to progressively shorter wavelength excitations. We discuss possible implication of the equilibration and of GGE in string theories and higher spin theories. In another related study, we compute time evolutions in a double trace unita...
How to reconcile Information theory and Gibbs-Herz entropy for inverted populated systems
Gagliardi, Alessio
2015-01-01
In this paper we discuss about the validity of the Shannon entropy functional in connection with the correct Gibbs-Hertz probability distribution function. We show that there is no contradiction in using the Shannon-Gibbs functional and restate the validity of information theory applied to equilibrium statistical mechanics. We show that under these assumptions, entropy is always a monotone function of energy, irrespective to the shape of the density of states, leading always to positive temperatures even in the case of inverted population systems. In the second part we assume the validity of the Shannon entropy and thermodynamic temperature, T=dE/dS, extended to systems under non-equilibrium steady state. Contrary to equilibrium, we discuss the possibility and meaning of a negative temperature in this case. Finally we discuss on Carnot cycles operating with a non-equilibrium bath possessing a negative temperature and leading to apparent efficiencies larger than one, due to a wrong accounting af all the energy...
Gibbs Ensemble Monte-Carlo方法及其应用%GIBBS ENSEMBLE MONTE-CARLO SIMULATION AND ITS APPLICATION
无
2000-01-01
It introduces a Gibbs Ensemble Monte-Carlo method,which was recently invented.This method has been applied for studying the phase diagrams of Lennard-Jones mixtures,and Methane and Tetrafluoromethane.The obtained results of simulations are in good agreement with experimental and previous results.%介绍一种新的且非常实用的Gibbs Ensemble Monte-Carlo模拟技术。并给出模拟甲烷和氟甲烷混合物的液体-液体相图以及Lennard-Jones混合物相图。将模拟的相图与实验得出的相图进行了对比。
Pohlman, Nicholas A.; Paprocki, Daniel F., Jr.; Si, Yun
2012-11-01
Typically in rotating tumblers, constant rotation rates and circular cross-sections are used as they jointly produce a steady, uniform flowing layer at the free surface. On the other hand, experiments conducted in polygon-shaped tumblers produce unsteady conditions due to the rapidly changing flowing layer length. Results analyzing free surface properties indicate that the particle dynamics within the flowing layer attempt to minimize energy of the flowing system: The arithmetic difference between the angle of repose and the tumbler orientation has a functional relationship with the instantaneous flowing layer length in the form of a catenary. The peaks of the catenary are affected by the number of sides on the polygon cross-section as well as the symmetry around the critical 50% fill fraction. Furthermore, oscillation of the flowing layer position appears to affect the free surface curvature. This result is likely due to the rapidly increasing and decreasing length of the free surface and the rotational inertia of particles entering the flowing layer. Funding provided by NIU's Office of Student Engagement and Experiential Learning.
McCarty, K.F. (Sandia National Laboratories, Livermore, California 94550 (United States))
1999-09-01
We address whether the elastic strain-energy theory (minimizing the Gibbs energy of a stressed crystal) of McKenzie and co-workers [D. R. McKenzie and M. M. M. Bilek, J. Vac. Sci. Technol. A [bold 16], 2733 (1998)] adequately explains the preferred orientation observed in carbon and BN films. In the formalism, the Gibbs energy of the cubic materials diamond and cubic boron includes the strain that occurs when the phases form, through specific structural transformations, from graphitic precursors. This treatment violates the requirement of thermodynamics that the Gibbs energy be a path-independent, state function. If the cubic phases are treated using the same (path-independent) formalism applied to the graphitic materials, the crystallographic orientation of lowest Gibbs energy is not that observed experimentally. For graphitic (hexagonal) carbon and BN, an elastic strain approach seems inappropriate because the compressive stresses in energetically deposited films are orders of magnitude higher than the elastic limit of the materials. Furthermore, using the known elastic constants of either ordered or disordered graphitic materials, the theory does not predict the orientation observed by experiment. [copyright] [ital 1999 American Vacuum Society.
Zhang, Bao; Arola, Dwayne D; Roys, Steve; Gullapalli, Rao P
2011-08-01
The use of magnetic resonance (MR) imaging in conjunction with an endorectal coil is currently the clinical standard for the diagnosis of prostate cancer because of the increased sensitivity and specificity of this approach. However, imaging in this manner provides images and spectra of the prostate in the deformed state because of the insertion of the endorectal coil. Such deformation may lead to uncertainties in the localization of prostate cancer during therapy. We propose a novel 3-D elastic registration procedure that is based on the minimization of a physically motivated strain energy function that requires the identification of similar features (points, curves, or surfaces) in the source and target images. The Gauss-Seidel method was used in the numerical implementation of the registration algorithm. The registration procedure was validated on synthetic digital images, MR images from prostate phantom, and MR images obtained on patients. The registration error, assessed by averaging the displacement of a fiducial landmark in the target to its corresponding point in the registered image, was 0.2 ± 0.1 pixels on synthetic images. On the prostate phantom and patient data, the registration errors were 1.0 ± 0.6 pixels (0.6 ± 0.4 mm) and 1.8 ± 0.7 pixels (1.1 ± 0.4 mm), respectively. Registration also improved image similarity (normalized cross-correlation) from 0.72 ± 0.10 to 0.96 ± 0.03 on patient data. Registration results on digital images, phantom, and prostate data in vivo demonstrate that the registration procedure can be used to significantly improve both the accuracy of localized therapies such as brachytherapy or external beam therapy and can be valuable in the longitudinal follow-up of patients after therapy.
Temperature of critical clusters in nucleation theory: Generalized Gibbs' approach
Schmelzer, Jürn W. P.; Boltachev, Grey Sh.; Abyzov, Alexander S.
2013-07-01
According to the classical Gibbs' approach to the description of thermodynamically heterogeneous systems, the temperature of the critical clusters in nucleation is the same as the temperature of the ambient phase, i.e., with respect to temperature the conventional macroscopic equilibrium conditions are assumed to be fulfilled. In contrast, the generalized Gibbs' approach [J. W. P. Schmelzer, G. Sh. Boltachev, and V. G. Baidakov, J. Chem. Phys. 119, 6166 (2003), 10.1063/1.1602066; J. W. P. Schmelzer, G. Sh. Boltachev, and V. G. Baidakov, J. Chem. Phys. 124, 194503 (2006)], 10.1063/1.2196412 predicts that critical clusters (having commonly spatial dimensions in the nanometer range) have, as a rule, a different temperature as compared with the ambient phase. The existence of a curved interface may lead, consequently, to an equilibrium coexistence of different phases with different temperatures similar to differences in pressure as expressed by the well-known Laplace equation. Employing the generalized Gibbs' approach, it is demonstrated that, for the case of formation of droplets in a one-component vapor, the temperature of the critical droplets can be shown to be higher as compared to the vapor. In this way, temperature differences between critically sized droplets and ambient vapor phase, observed in recent molecular dynamics simulations of argon condensation by Wedekind et al. [J. Chem. Phys. 127, 064501 (2007)], 10.1063/1.2752154, can be given a straightforward theoretical interpretation. It is shown as well that - employing the same model assumptions concerning bulk and interfacial properties of the system under consideration - the temperature of critical bubbles in boiling is lower as compared to the bulk liquid.
Study on Storage Reliability Evaluation for Ammunition Using Gibbs Sampler
无
2007-01-01
For the gradual maturity of Bayesian survival analysis theory, as well as the defects of the traditional methods for storage reliability evaluation, the Bayesian survival analysis method is proposed to build regression models for reliability in the random truncated test. These models can reflect the influences of different environments on the ammunition storage lifetime. As an example, the common exponential distribution is used here, and Markov chain Monte Carlo(MCMC)method based on Gibbs sampling dynamically simulates the Markov chain of the parameters' posterior distribution. Also,the parameters' Bayesian estimations are calculated in the random truncated condition. The simulation results show that the proposed method is effective and directly perceived.
Money in Gas-Like Markets: Gibbs and Pareto Laws
Arnab Chatterjee; Chakrabarti, Bikas K.; Manna, S. S.
2003-01-01
We consider the ideal-gas models of trading markets, where each agent is identified with a gas molecule and each trading as an elastic or money-conserving (two-body) collision. Unlike in the ideal gas, we introduce saving propensity $\\lambda$ of agents, such that each agent saves a fraction $\\lambda$ of its money and trades with the rest. We show the steady-state money or wealth distribution in a market is Gibbs-like for $\\lambda=0$, has got a non-vanishing most-probable value for $\\lambda \
Near-Optimal Detection in MIMO Systems using Gibbs Sampling
Hansen, Morten; Hassibi, Babak; Dimakis, Georgios Alexandros
2009-01-01
In this paper we study a Markov Chain Monte Carlo (MCMC) Gibbs sampler for solving the integer least-squares problem. In digital communication the problem is equivalent to preforming Maximum Likelihood (ML) detection in Multiple-Input Multiple-Output (MIMO) systems. While the use of MCMC methods...... for such problems has already been proposed, our method is novel in that we optimize the "temperature" parameter so that in steady state, i.e., after the Markov chain has mixed, there is only polynomially (rather than exponentially) small probability of encountering the optimal solution. More precisely, we obtain...
Hybrids of Gibbs Point Process Models and Their Implementation
Adrian Baddeley
2013-11-01
Full Text Available We describe a simple way to construct new statistical models for spatial point pattern data. Taking two or more existing models (finite Gibbs spatial point processes we multiply the probability densities together and renormalise to obtain a new probability density. We call the resulting model a hybrid. We discuss stochastic properties of hybrids, their statistical implications, statistical inference, computational strategies and software implementation in the R package spatstat. Hybrids are particularly useful for constructing models which exhibit interaction at different spatial scales. The methods are demonstrated on a real data set on human social interaction. Software and data are provided.
A quantum solution to Gibbs Paradox with few particles
Dong, H; Sun, C P
2012-01-01
We present a fully quantum solution to the Gibbs paradox (GP) with an illustration based on a gedanken experiment with two particles trapped in an infinite potential well. The well is divided into two cells by a solid wall, which could be removed for mixing the particles. For the initial thermal state with correct two-particle wavefunction according to their quantum statistics, the exact calculations shows the entropy changes are the same for boson, fermion and non-identical particles. With the observation that the initial unmixed state of identical particles in the conventional presentations actually is not of a thermal equilibrium, our analysis reveals the quantum origin of the paradox, and confirm the E. J. Jaynes' observation that entropy increase in Gibbs mixing is only due to the including more observables measuring the entropy. To further show up the subtle role of the quantum mechanism in the GP, we study the different finite size effect on the entropy change and shows the works performed in the mixin...
Fast Gibbs sampling for high-dimensional Bayesian inversion
Lucka, Felix
2016-11-01
Solving ill-posed inverse problems by Bayesian inference has recently attracted considerable attention. Compared to deterministic approaches, the probabilistic representation of the solution by the posterior distribution can be exploited to explore and quantify its uncertainties. In applications where the inverse solution is subject to further analysis procedures can be a significant advantage. Alongside theoretical progress, various new computational techniques allow us to sample very high dimensional posterior distributions: in (Lucka 2012 Inverse Problems 28 125012), and a Markov chain Monte Carlo posterior sampler was developed for linear inverse problems with {{\\ell }}1-type priors. In this article, we extend this single component (SC) Gibbs-type sampler to a wide range of priors used in Bayesian inversion, such as general {{\\ell }}pq priors with additional hard constraints. In addition, a fast computation of the conditional, SC densities in an explicit, parameterized form, a fast, robust and exact sampling from these one-dimensional densities is key to obtain an efficient algorithm. We demonstrate that a generalization of slice sampling can utilize their specific structure for this task and illustrate the performance of the resulting slice-within-Gibbs samplers by different computed examples. These new samplers allow us to perform sample-based Bayesian inference in high-dimensional scenarios with certain priors for the first time, including the inversion of computed tomography data with the popular isotropic total variation prior.
Just Another Gibbs Additive Modeler: Interfacing JAGS and mgcv
Simon N. Wood
2016-12-01
Full Text Available The BUGS language offers a very flexible way of specifying complex statistical models for the purposes of Gibbs sampling, while its JAGS variant offers very convenient R integration via the rjags package. However, including smoothers in JAGS models can involve some quite tedious coding, especially for multivariate or adaptive smoothers. Further, if an additive smooth structure is required then some care is needed, in order to centre smooths appropriately, and to find appropriate starting values. R package mgcv implements a wide range of smoothers, all in a manner appropriate for inclusion in JAGS code, and automates centring and other smooth setup tasks. The purpose of this note is to describe an interface between mgcv and JAGS, based around an R function, jagam, which takes a generalized additive model (GAM as specified in mgcv and automatically generates the JAGS model code and data required for inference about the model via Gibbs sampling. Although the auto-generated JAGS code can be run as is, the expectation is that the user would wish to modify it in order to add complex stochastic model components readily specified in JAGS. A simple interface is also provided for visualisation and further inference about the estimated smooth components using standard mgcv functionality. The methods described here will be un-necessarily inefficient if all that is required is fully Bayesian inference about a standard GAM, rather than the full flexibility of JAGS. In that case the BayesX package would be more efficient.
Large scale inference in the Infinite Relational Model: Gibbs sampling is not enough
Albers, Kristoffer Jon; Moth, Andreas Leon Aagard; Mørup, Morten
2013-01-01
The stochastic block-model and its non-parametric extension, the Infinite Relational Model (IRM), have become key tools for discovering group-structure in complex networks. Identifying these groups is a combinatorial inference problem which is usually solved by Gibbs sampling. However, whether...... Gibbs sampling suffices and can be scaled to the modeling of large scale real world complex networks has not been examined sufficiently. In this paper we evaluate the performance and mixing ability of Gibbs sampling in the Infinite Relational Model (IRM) by implementing a high performance Gibbs sampler....... We find that Gibbs sampling can be computationally scaled to handle millions of nodes and billions of links. Investigating the behavior of the Gibbs sampler for different sizes of networks we find that the mixing ability decreases drastically with the network size, clearly indicating a need...
Reflections on Gibbs: From Statistical Physics to the Amistad V3.0
Kadanoff, Leo P.
2014-07-01
This note is based upon a talk given at an APS meeting in celebration of the achievements of J. Willard Gibbs. J. Willard Gibbs, the younger, was the first American physical sciences theorist. He was one of the inventors of statistical physics. He introduced and developed the concepts of phase space, phase transitions, and thermodynamic surfaces in a remarkably correct and elegant manner. These three concepts form the basis of different areas of physics. The connection among these areas has been a subject of deep reflection from Gibbs' time to our own. This talk therefore celebrated Gibbs by describing modern ideas about how different parts of physics fit together. I finished with a more personal note. Our own J. Willard Gibbs had all his many achievements concentrated in science. His father, also J. Willard Gibbs, also a Professor at Yale, had one great non-academic achievement that remains unmatched in our day. I describe it.
Baelz, U.
1989-02-01
Details are given on a hospital minimizing its energy expenses with the help of load shedding equipment. A description of preliminary analyses (energy flows, unbalanced distribution of loads, recording instruments, peak loads) and the consequences drawn is followed by a presentation of the load shedding equipment selected. Reference is made to the existing electronic computer it is based on. Integrated setpoints deviated as priority groups were disconnected step by step (meshed disconnection of space HVAC systems). The disconnecting times selected insure a quasi-equal thermal comfort during the winter season. Using the load shedding system, annual energy expenses were reduced by 110 000 marks. (HWJ).
Translation-invariant and periodic Gibbs measures for the Potts model on a Cayley tree
Khakimov, R. M.; Khaydarov, F. Kh.
2016-11-01
We study translation-invariant Gibbs measures on a Cayley tree of order k = 3 for the ferromagnetic three-state Potts model. We obtain explicit formulas for translation-invariant Gibbs measures. We also consider periodic Gibbs measures on a Cayley tree of order k for the antiferromagnetic q-state Potts model. Moreover, we improve previously obtained results: we find the exact number of periodic Gibbs measures with the period two on a Cayley tree of order k ≥ 3 that are defined on some invariant sets.
Piazza, Federico
2015-01-01
The minimal requirement for cosmography - a nondynamical description of the universe - is a prescription for calculating null geodesics, and timelike geodesics as a function of their proper time. In this paper, we consider the most general linear connection compatible with homogeneity and isotropy, but not necessarily with a metric. A light-cone structure is assigned by choosing a set of geodesics representing light rays. This defines a "scale factor" and a local notion of distance, as that travelled by light in a given proper time interval. We find that the velocities and relativistic energies of free-falling bodies decrease in time as a consequence of cosmic expansion, but at a rate that can be different than that dictated by the usual metric framework. By extrapolating this behavior to photons redshift, we find that the latter is in principle independent of the "scale factor". Interestingly, redshift-distance relations and other standard geometric observables are modified in this extended framework, in a w...
Piazza, Federico; Schücker, Thomas
2016-04-01
The minimal requirement for cosmography—a non-dynamical description of the universe—is a prescription for calculating null geodesics, and time-like geodesics as a function of their proper time. In this paper, we consider the most general linear connection compatible with homogeneity and isotropy, but not necessarily with a metric. A light-cone structure is assigned by choosing a set of geodesics representing light rays. This defines a "scale factor" and a local notion of distance, as that travelled by light in a given proper time interval. We find that the velocities and relativistic energies of free-falling bodies decrease in time as a consequence of cosmic expansion, but at a rate that can be different than that dictated by the usual metric framework. By extrapolating this behavior to photons' redshift, we find that the latter is in principle independent of the "scale factor". Interestingly, redshift-distance relations and other standard geometric observables are modified in this extended framework, in a way that could be experimentally tested. An extremely tight constraint on the model, however, is represented by the blackbody-ness of the cosmic microwave background. Finally, as a check, we also consider the effects of a non-metric connection in a different set-up, namely, that of a static, spherically symmetric spacetime.
Fluctuations and Gibbs-Thomson Law - the Simple Physics.
Chernov, A A; De Yoreo, J J; Rashkovich, L N
2006-09-15
Crystals of slightly soluble materials should be subject of relatively weak attachment/detachment fluctuations on their faces so that steps on that faces have low kink density. These steps are parallel to the most close packed lattice rows and form polygons on a crystal surface. The process responsible for implementation of the classical Gibbs-Thomson law (GTL) for the polygonal step (in two dimensions, 2D) is kink exchange between the step corners. For the 3D crystallites, this mechanism includes step exchange. If these mechanisms do not operate because of slow fluctuations the GTL is not applicable. Physics of these processes and conditions for the GTL applicability are discussed on a simple qualitative level.
On truncated generalized Gibbs ensembles in the Ising field theory
Essler, F. H. L.; Mussardo, G.; Panfil, M.
2017-01-01
We discuss the implementation of two different truncated Generalized Gibbs Ensembles (GGE) describing the stationary state after a mass quench process in the Ising Field Theory. One truncated GGE is based on the semi-local charges of the model, the other on regularized versions of its ultra-local charges. We test the efficiency of the two different ensembles by comparing their predictions for the stationary state values of the single-particle Green’s function G(x)= of the complex fermion field \\psi (x) . We find that both truncated GGEs are able to recover G(x), but for a given number of charges the semi-local version performs better.
The Gibbs paradox and the distinguishability of identical particles
Versteegh, Marijn A. M.; Dieks, Dennis
2011-07-01
Identical classical particles are distinguishable. This distinguishability affects the number of ways W a macrostate can be realized on the microlevel, and from the relation S =k ln W leads to a nonextensive expression for the entropy. This result is usually considered incorrect because of its inconsistency with thermodynamics. It is sometimes concluded from this inconsistency that identical particles are fundamentally indistinguishable and that quantum mechanics is indispensable for making sense of this inconsistency. In contrast, we argue that the classical statistics of distinguishable particles and the resulting nonextensive entropy function are perfectly acceptable from both a theoretical and an experimental perspective. The inconsistency with thermodynamics can be removed by taking into account that the entropy concept in statistical mechanics is not completely identical to the thermodynamical one. We observe that even identical quantum particles are in some cases distinguishable, and conclude that quantum mechanics is irrelevant to the Gibbs paradox.
Thermodynamics of the Schwarzschild-AdS Black Hole with a Minimal Length
Yan-Gang Miao
2017-01-01
Full Text Available Using the mass-smeared scheme of black holes, we study the thermodynamics of black holes. Two interesting models are considered. One is the self-regular Schwarzschild-AdS black hole whose mass density is given by the analogue to probability densities of quantum hydrogen atoms. The other model is the same black hole but whose mass density is chosen to be a rational fractional function of radial coordinates. Both mass densities are in fact analytic expressions of the δ-function. We analyze the phase structures of the two models by investigating the heat capacity at constant pressure and the Gibbs free energy in an isothermal-isobaric ensemble. Both models fail to decay into the pure thermal radiation even with the positive Gibbs free energy due to the existence of a minimal length. Furthermore, we extend our analysis to a general mass-smeared form that is also associated with the δ-function and indicate the similar thermodynamic properties for various possible mass-smeared forms based on the δ-function.
Thermodynamics of the Schwarzschild-AdS black hole with a minimal length
Miao, Yan-Gang
2016-01-01
Using the mass-smeared scheme of black holes, we study the thermodynamics of black holes. Two interesting models are considered. One is the self-regular Schwarzschild-AdS black hole whose mass density is given by the analogue to probability densities of quantum hydrogen atoms. The other model is the same black hole but whose mass density is chosen to be a rational fractional function of radial coordinates. Both mass densities are in fact analytic expressions of the ${\\delta}$-function. We analyze the phase structures of the two models by investigating the heat capacity at constant pressure and the Gibbs free energy in an isothermal-isobaric ensemble. Both models fail to decay into the pure thermal radiation even with the positive Gibbs free energy due to the existence of a minimal length. Furthermore, we extend our analysis to a general mass-smeared form that is also associated with the ${\\delta}$-function, and indicate the similar thermodynamic properties for various possible mass-smeared forms based on the ...
2007-01-01
In this paper, we are concerned with the partial regularity for the weak solutions of energy minimizing p-harmonic maps under the controllable growth condition. We get the interior partial regularity by the p-harmonic approximation method together with the technique used to get the decay estimation on some Degenerate elliptic equations and the obstacle problem by Tan and Yan. In particular, we directly get the optimal regularity.
Xiao, Xingqing; Hung, Michelle E; Leonard, Joshua N; Hall, Carol K
2016-10-15
Our previously developed peptide-design algorithm was improved by adding an energy minimization strategy which allows the amino acid sidechains to move in a broad configuration space during sequence evolution. In this work, the new algorithm was used to generate a library of 21-mer peptides which could substitute for λ N peptide in binding to boxB RNA. Six potential peptides were obtained from the algorithm, all of which exhibited good binding capability with boxB RNA. Atomistic molecular dynamics simulations were then conducted to examine the ability of the λ N peptide and three best evolved peptides, viz. Pept01, Pept26, and Pept28, to bind to boxB RNA. Simulation results demonstrated that our evolved peptides are better at binding to boxB RNA than the λ N peptide. Sequence searches using the old (without energy minimization strategy) and new (with energy minimization strategy) algorithms confirm that the new algorithm is more effective at finding good RNA-binding peptides than the old algorithm. © 2016 Wiley Periodicals, Inc.
Possible loss and recovery of Gibbsianness during the stochastic evolution of Gibbs measures
Enter, A.C.D. van; Fernández, R.; Redig, F.; den Hollander, F.
We consider Ising-spin systems starting from an initial Gibbs measure 1) and evolving under a spin-flip dynamics towards a reversible Gibbs measure mu not equal nu. Both v and mu are assumed to have a translation-invariant finite-range interaction. We study the Gibbsian character of the measure
Dupuy, Nicolas; Bouaouli, Samira; Mauri, Francesco; Sorella, Sandro; Casula, Michele
2015-06-01
We study the ionization energy, electron affinity, and the π → π∗ (1La) excitation energy of the anthracene molecule, by means of variational quantum Monte Carlo (QMC) methods based on a Jastrow correlated antisymmetrized geminal power (JAGP) wave function, developed on molecular orbitals (MOs). The MO-based JAGP ansatz allows one to rigorously treat electron transitions, such as the HOMO → LUMO one, which underlies the 1La excited state. We present a QMC optimization scheme able to preserve the rank of the antisymmetrized geminal power matrix, thanks to a constrained minimization with projectors built upon symmetry selected MOs. We show that this approach leads to stable energy minimization and geometry relaxation of both ground and excited states, performed consistently within the correlated QMC framework. Geometry optimization of excited states is needed to make a reliable and direct comparison with experimental adiabatic excitation energies. This is particularly important in π-conjugated and polycyclic aromatic hydrocarbons, where there is a strong interplay between low-lying energy excitations and structural modifications, playing a functional role in many photochemical processes. Anthracene is an ideal benchmark to test these effects. Its geometry relaxation energies upon electron excitation are of up to 0.3 eV in the neutral 1La excited state, while they are of the order of 0.1 eV in electron addition and removal processes. Significant modifications of the ground state bond length alternation are revealed in the QMC excited state geometry optimizations. Our QMC study yields benchmark results for both geometries and energies, with values below chemical accuracy if compared to experiments, once zero point energy effects are taken into account.
Dupuy, Nicolas; Bouaouli, Samira; Mauri, Francesco; Sorella, Sandro; Casula, Michele
2015-06-07
We study the ionization energy, electron affinity, and the π → π(∗) ((1)La) excitation energy of the anthracene molecule, by means of variational quantum Monte Carlo (QMC) methods based on a Jastrow correlated antisymmetrized geminal power (JAGP) wave function, developed on molecular orbitals (MOs). The MO-based JAGP ansatz allows one to rigorously treat electron transitions, such as the HOMO → LUMO one, which underlies the (1)La excited state. We present a QMC optimization scheme able to preserve the rank of the antisymmetrized geminal power matrix, thanks to a constrained minimization with projectors built upon symmetry selected MOs. We show that this approach leads to stable energy minimization and geometry relaxation of both ground and excited states, performed consistently within the correlated QMC framework. Geometry optimization of excited states is needed to make a reliable and direct comparison with experimental adiabatic excitation energies. This is particularly important in π-conjugated and polycyclic aromatic hydrocarbons, where there is a strong interplay between low-lying energy excitations and structural modifications, playing a functional role in many photochemical processes. Anthracene is an ideal benchmark to test these effects. Its geometry relaxation energies upon electron excitation are of up to 0.3 eV in the neutral (1)La excited state, while they are of the order of 0.1 eV in electron addition and removal processes. Significant modifications of the ground state bond length alternation are revealed in the QMC excited state geometry optimizations. Our QMC study yields benchmark results for both geometries and energies, with values below chemical accuracy if compared to experiments, once zero point energy effects are taken into account.
Dupuy, Nicolas, E-mail: nicolas.dupuy@impmc.upmc.fr [Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, case 115, 4 place Jussieu, 75252 Paris Cedex 05 (France); Bouaouli, Samira, E-mail: samira.bouaouli@lct.jussieu.fr [Laboratoire de Chimie Théorique, Université Pierre et Marie Curie, case 115, 4 place Jussieu, 75252 Paris Cedex 05 (France); Mauri, Francesco, E-mail: francesco.mauri@impmc.upmc.fr; Casula, Michele, E-mail: michele.casula@impmc.upmc.fr [CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, case 115, 4 place Jussieu, 75252 Paris Cedex 05 (France); Sorella, Sandro, E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), Via Beirut 2-4, 34014 Trieste, Italy and INFM Democritos National Simulation Center, Trieste (Italy)
2015-06-07
We study the ionization energy, electron affinity, and the π → π{sup ∗} ({sup 1}L{sub a}) excitation energy of the anthracene molecule, by means of variational quantum Monte Carlo (QMC) methods based on a Jastrow correlated antisymmetrized geminal power (JAGP) wave function, developed on molecular orbitals (MOs). The MO-based JAGP ansatz allows one to rigorously treat electron transitions, such as the HOMO → LUMO one, which underlies the {sup 1}L{sub a} excited state. We present a QMC optimization scheme able to preserve the rank of the antisymmetrized geminal power matrix, thanks to a constrained minimization with projectors built upon symmetry selected MOs. We show that this approach leads to stable energy minimization and geometry relaxation of both ground and excited states, performed consistently within the correlated QMC framework. Geometry optimization of excited states is needed to make a reliable and direct comparison with experimental adiabatic excitation energies. This is particularly important in π-conjugated and polycyclic aromatic hydrocarbons, where there is a strong interplay between low-lying energy excitations and structural modifications, playing a functional role in many photochemical processes. Anthracene is an ideal benchmark to test these effects. Its geometry relaxation energies upon electron excitation are of up to 0.3 eV in the neutral {sup 1}L{sub a} excited state, while they are of the order of 0.1 eV in electron addition and removal processes. Significant modifications of the ground state bond length alternation are revealed in the QMC excited state geometry optimizations. Our QMC study yields benchmark results for both geometries and energies, with values below chemical accuracy if compared to experiments, once zero point energy effects are taken into account.
Zhorov Boris S
2007-01-01
Full Text Available Abstract Background Correolide, a nortriterpene isolated from the Costa Rican tree Spachea correa, is a novel immunosuppressant, which blocks Kv1.3 channels in human T lymphocytes. Earlier mutational studies suggest that correolide binds in the channel pore. Correolide has several nucleophilic groups, but the pore-lining helices in Kv1.3 are predominantly hydrophobic raising questions about the nature of correolide-channel interactions. Results We employed the method of Monte Carlo (MC with energy minimization to search for optimal complexes of correolide in Kv1.2-based models of the open Kv1.3 with potassium binding sites 2/4 or 1/3/5 loaded with K+ ions. The energy was MC-minimized from many randomly generated starting positions and orientations of the ligand. In all the predicted low-energy complexes, oxygen atoms of correolide chelate a K+ ion. Correolide-sensing residues known from mutational analysis along with the ligand-bound K+ ion provide major contributions to the ligand-binding energy. Deficiency of K+ ions in the selectivity filter of C-type inactivated Kv1.3 would stabilize K+-bound correolide in the inner pore. Conclusion Our study explains the paradox that cationic and nucleophilic ligands bind to the same region in the inner pore of K+ channels and suggests that a K+ ion is an important determinant of the correolide receptor and possibly receptors of other nucleophilic blockers of the inner pore of K+ channels.
Miswan, M. A.; Gopir, G.; Anas, M. M.
2016-11-01
Geometry optimization is one of the most widely used methods to study in carbon cluster Cn to understand its structural properties. The total energy for each of the structures was calculated using Octopus software with conjugate gradient Broyden-Fletcher-Goldfarb-Shanno (CG-BFGS). Our calculation and other studies indicate that the linear forms are the most stable structures. However, the C3 isomers have equal probability to form, as the differences in our calculation of total energy are statistically insignificant. Despite there are two cohort of total energy, the calculations are acceptable due to the energy ratio between C3 to C2 and C2 to C1 are comparable to others work. Meanwhile, the bond properties of the C2 and C3 bonds also gives significant difference between our work and previous study.
Flory IV, Isaac L.
2008-01-01
Worldwide, the electrical energy consumed by artificial lighting is second only to the amount consumed by electric machinery. Of the energy usage attributed to lighting in North America, approximately fifteen percent is consumed by those lighting products that are classified as High-Intensity Discharge (HID). These lighting products, which are dominated by Metal-Halide and High-Pressure Sodium technologies, range in power levels from 35 to 2000 watts and are used in both indoor and outdoor ...
Mukherjee, Arup K, E-mail: akmukherjee11@hotmail.com [Department of Physics, Chancellor College, University of Malawi, Box 280, Zomba (Malawi)
2011-08-17
The process of bending of straight DNA to a circular form in the presence of any of the mono-, di-, tri- or tetravalent counterions has been simulated in a strong Coulomb coupling environment, employing a previously developed energy minimization simulation technique. The inherent characteristics of the simulation technique allow the monitoring of the required electrostatic contribution to the bending. The curvature of the bending has been found to play a crucial role in facilitating the electrostatic attractive potential energy. The total electrostatic potential energy has been found to decrease with bending, which indicates that bending straight DNA to a circular form or to a toroidal form in the presence of neutralizing counterions is energetically favourable and is practically a spontaneous phenomenon.
Thermodynamic analysis of nucleation in confined space: generalized Gibbs approach.
Schmelzer, Jürn W P; Abyzov, Alexander S
2011-02-07
A general thermodynamic analysis of nucleation-growth processes in confined space in initially metastable states of the ambient phase is performed based on the generalized Gibbs approach to the description of heterogeneous systems. In particular, it is shown analytically how the parameters of critical clusters and clusters in stable equilibrium with the ambient phase depend on the volume of the system for initially fixed intensive state parameters of the ambient phase. Qualitatively, the results are shown to be similar independent on the boundary conditions employed. It is demonstrated further that the behavior of systems in confined space is directly related to the kinetics of phase transformation processes in spatially extended systems, when ensembles of clusters are formed. The results of the thermodynamic analysis of cluster formation and growth in a confined space are employed then, in particular, to the derivation of kinetic equations for the description of the process of coarsening or Ostwald ripening. In the analysis of both the nucleation in confined space and the description of Ostwald ripening, no specific assumptions concerning the equations of state of the system under consideration and the number of components both in the ambient and newly evolving phases are made. Consequently, the results are of very general nature and hold always as far as the necessary condition for the possibility of a phase transformation is fulfilled.
A CMB GIBBS SAMPLER FOR LOCALIZED SECONDARY ANISOTROPIES
Bull, Philip; Eriksen, Hans Kristian; Fuskeland, Unni [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, N-0315 Oslo (Norway); Wehus, Ingunn K.; Ferreira, Pedro G. [Astrophysics, University of Oxford, DWB, Keble Road, Oxford OX1 3RH (United Kingdom); Górski, Krzysztof M.; Jewell, Jeffrey B., E-mail: p.j.bull@astro.uio.no [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)
2015-07-20
In addition to primary fluctuations, cosmic microwave background (CMB) temperature maps contain a wealth of additional information in the form of secondary anisotropies. However, secondary effects that can be identified with individual objects, such as the thermal and kinetic Sunyaev–Zel’dovich (TSZ–KSZ) effects due to galaxy clusters, are difficult to unambiguously disentangle from foreground contamination and the primary CMB. We develop a Bayesian formalism to rigorously characterize anisotropies that are localized on the sky, taking the TSZ and KSZ effects as an example. Using a Gibbs sampling scheme, we are able to efficiently sample from the joint posterior distribution for a multi-component model of the sky with many thousands of correlated physical parameters. The posterior can then be exactly marginalized to estimate the properties of the secondary anisotropies, fully taking into account degeneracies with the other signals in the CMB map. We show that this method is computationally tractable using a simple implementation based on the existing Commander component separation code and discuss how other types of secondary anisotropy can be accommodated within our framework.
Apparent Inverse Gibbs-Thomson Effect in Dealloyed Nanoporous Nanoparticles
McCue, I.; Snyder, J.; Li, X.; Chen, Q.; Sieradzki, K.; Erlebacher, J.
2012-06-01
The Gibbs-Thomson effect (the reduction of local chemical potential due to nanoscale curvature) predicts that nanoparticles of radius r dissolve at lower electrochemical potentials than bulk materials, decreasing as 1/r. However, we show here that if the particle is an alloy—susceptible to selective dissolution (dealloying) and nanoporosity evolution—then complete selective electrochemical dissolution and porosity evolution require a higher electrochemical potential than the comparable bulk planar material, increasing empirically as 1/r. This is a kinetic effect, which we demonstrate via kinetic Monte Carlo simulation. Our model shows that in the initial stages of dissolution, the less noble particle component is easily stripped from the nanoparticle surface, but owing to an increased mobility of the more noble atoms, the surface of the particle quickly passivates. At a fixed electrochemical potential, porosity and complete dealloying can only evolve if fluctuations in the surface passivation layer are sufficiently long-lived to allow dissolution from percolating networks of the less-noble component that penetrate through the bulk of the particle.
Sasaki, Akira; Kojo, Masashi; Hirose, Kikuji; Goto, Hidekazu
2011-11-02
The path-integral renormalization group and direct energy minimization method of practical first-principles electronic structure calculations for multi-body systems within the framework of the real-space finite-difference scheme are introduced. These two methods can handle higher dimensional systems with consideration of the correlation effect. Furthermore, they can be easily extended to the multicomponent quantum systems which contain more than two kinds of quantum particles. The key to the present methods is employing linear combinations of nonorthogonal Slater determinants (SDs) as multi-body wavefunctions. As one of the noticeable results, the same accuracy as the variational Monte Carlo method is achieved with a few SDs. This enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation. Recent activities on methodological developments aiming towards practical calculations such as the implementation of auxiliary field for Coulombic interaction, the treatment of the kinetic operator in imaginary-time evolutions, the time-saving double-grid technique for bare-Coulomb atomic potentials and the optimization scheme for minimizing the total-energy functional are also introduced. As test examples, the total energy of the hydrogen molecule, the atomic configuration of the methylene and the electronic structures of two-dimensional quantum dots are calculated, and the accuracy, availability and possibility of the present methods are demonstrated.
Onwuanumkpe, Jude C.
Low and transient load condition are known to have deleterious impact on the efficiency and health of diesel generators (DGs). Extensive operation under such loads reduces fuel consumption and energy conversion efficiency, and contribute to diesel engine degradation, damage, or catastrophic failure. Non-ideal loads are prevalent in expeditionary base camps that support contingency operations in austere environments or remote locations where grid electricity is either non-existent or inaccessible. The impact of such loads on DGs exacerbates already overburdened basecamp energy logistics requirements. There is a need, therefore, to eliminate or prevent the occurrence of non-ideal loads. Although advances in diesel engine technologies have improved their performance, DGs remain vulnerable to the consequences of non-ideal loads and inherent inefficiencies of combustion. The mechanisms through which DGs respond to and mitigate non-ideal loads are also mechanically stressful and energy-intensive. Thus, this research investigated the idea of using batteries to prevent DGs from encountering non-ideal loads, as a way to reduce basecamp energy logistics requirements. Using a simple semi-empirical approach, the study modeled and simulated a battery-DG hybrid system under various load conditions. The simulation allowed for synthesis of design space in which specified battery and generator capacity can achieve optimal savings in fuel consumption and maintenance cost. Results show that a right-sized battery-diesel generator system allows for more than 50% cost savings relative to a standalone generator.
Abbott, B
2001-01-01
We report on a search for supersymmetry using the DØ detector. The 1994-96 data sample of $\\sqrt{s}=1.8$ TeV $\\bar{p}p$ collisions was analyzed for events containing two leptons ($e$ or $\\mu$), two or more jets, and missing transverse energy. Assuming minimal supergravity, with free parameters $m_0$, $m_{1/2}$ and $\\tan\\beta$, various thresholds were employed to optimize the search. No excess of events was observed. We present exclusion contours in the $(m_0, m_{1/2})$ plane for $\\tan\\beta=2-6$.
Keyvanloo, A.; Burke, B.; St. Aubin, J.; Baillie, D.; Wachowicz, K.; Warkentin, B.; Steciw, S.; Fallone, B. G.
2016-05-01
The magnetic fields of linac-MR systems modify the path of contaminant electrons in photon beams, which alters patient entrance skin dose. Also, the increased SSD of linac-MR systems reduces the maximum achievable dose rate. To accurately quantify the changes in entrance skin dose, the authors use EGSnrc Monte Carlo calculations that incorporate 3D magnetic field of the Alberta 0.5 T longitudinal linac-MR system. The Varian 600C linac head geometry assembled on the MRI components is used in the BEAMnrc simulations for 6 MV and 10 MV beam models and skin doses are calculated at an average depth of 70 μm using DOSXYZnrc. 3D modeling shows that magnetic fringe fields decay rapidly and are small at the linac head. SSDs between 100 and 120 cm result in skin-dose increases of between ~6%-19% and ~1%-9% for the 6 and 10 MV beams, respectively. For 6 MV, skin dose increases from ~10.5% to ~1.5% for field-size increases of 5 × 5 cm2 to 20 × 20 cm2. For 10 MV, skin dose increases by ~6% for a 5 × 5 cm2 field, and decreases by ~1.5% for a 20 × 20 cm2 field. Furthermore, the proposed reshaped flattening filter increases the dose rate from the current 355 MU min-1 to 529 MU min-1 (6 MV) or 604 MU min-1 (10 MV), while the skin-dose increases by only an additional ~2.6% (all percent increases in skin dose are relative to D max). This study suggests that there is minimal increase in the entrance skin dose and minimal/no decrease in the dose rate of the Alberta longitudinal linac-MR system. The even lower skin dose increase at 10 MV offers further advantages in future designs of linac-MR prototypes.
Parsing regulatory DNA: General tasks, techniques, and the PhyloGibbs approach
Rahul Siddharthan
2007-08-01
In this review, we discuss the general problem of understanding transcrip tional regulation from DNA sequence and prior information. The main tasks we discuss are predicting local regions of DNA, cis-regulatory modules (CRMs) that contain binding sites for transcription factors (TFs), and predicting individ ual binding sites. We review various existing methods, and then describe the approach taken by PhyloGibbs, a recent motif-finding algorithm that we developed to predict TF binding sites, and PhyloGibbs-MP, an extension to PhyloGibbs that tackles other tasks in regulatory genomics, particularly prediction of CRMs.
Jones, Jo; Jackson, Janet; Tudor, Terry; Bates, Margaret
2012-09-01
Strategies for enhancing environmental management are a key focus for the government in the UK. Using a manufacturing company from the construction sector as a case study, this paper evaluates selected interventionist techniques, including environmental teams, awareness raising and staff training to improve environmental performance. The study employed a range of methods including questionnaire surveys and audits of energy consumption and generation of waste to examine the outcomes of the selected techniques. The results suggest that initially environmental management was not a focus for either the employees or the company. However, as a result of employing the techniques, the company was able to reduce energy consumption, increase recycling rates and achieve costs savings in excess of £132,000.
Kaldellis, J.K.; Kostas, P. [TEI Piraeus, Mechanical Engineering Dept., Athens (Greece); Filios, A. [School of Pedagogical and Technological Education, Fluid Mechanics and Turbomachines Lab., Athens (Greece)
2006-07-01
Autonomous wind power systems are among the most interesting and environmentally friendly technological solutions for the electrification of remote consumers. In many cases, however, the battery contribution to the initial or the total operational cost is found to be dominant, discouraging further penetration of the available wind resource. This is basically the case for areas possessing a medium-low wind potential. On the other hand, several isolated consumers are located in regions having the regular benefit of an abundant and reliable solar energy supply. In this context the present study investigates the possibility of reducing the battery size of a stand-alone wind power installation by incorporating a small photovoltaic generator. For this purpose an integrated energy production installation based exclusively on renewable energy resources is hereby proposed. Subsequently a new numerical algorithm is developed that is able to estimate the appropriate dimensions of a similar system. According to the results obtained by long-term experimental measurements, the introduction of the photovoltaic panels considerably improves the operational and financial behaviour of the complete installation owing to the imposed significant battery capacity diminution. (Author)
Kaldellis, J. K.; Kostas, P.; Filios, A.
2006-07-01
Autonomous wind power systems are among the most interesting and environmentally friendly technological solutions for the electrification of remote consumers. In many cases, however, the battery contribution to the initial or the total operational cost is found to be dominant, discouraging further penetration of the available wind resource. This is basically the case for areas possessing a medium-low wind potential. On the other hand, several isolated consumers are located in regions having the regular benefit of an abundant and reliable solar energy supply. In this context the present study investigates the possibility of reducing the battery size of a stand-alone wind power installation by incorporating a small photovoltaic generator. For this purpose an integrated energy production installation based exclusively on renewable energy resources is hereby proposed. Subsequently a new numerical algorithm is developed that is able to estimate the appropriate dimensions of a similar system. According to the results obtained by long-term experimental measurements, the introduction of the photovoltaic panels considerably improves the operational and financial behaviour of the complete installation owing to the imposed significant battery capacity diminution. Copyright
The Minimal Matching Energy of Unicyclic Graphs of a Given Diameter%给定直径的单圈图的极小匹配能量
吴倩倩; 李红海
2015-01-01
图的匹配能量定义为该图的匹配多项式的零点的绝对值之和。设U（ n，d）为n阶且直径为d的连通单圈图的集合，刻画了U（ n，d）中取到极小匹配能量的极图。%The matching energy of a graph was defined as the sum of the absolute values of zeros of its matching pol-ynomial. Let U( n,d)be the set of connected unicyclic graphs of order n and diameter d,the graph from U( n,d) minimizing the matching energy is completely characterized.
An Introduction to the DA-T Gibbs Sampler for the Two-Parameter Logistic (2PL Model and Beyond
Gunter Maris
2005-01-01
Full Text Available The DA-T Gibbs sampler is proposed by Maris and Maris (2002 as a Bayesian estimation method for a wide variety of Item Response Theory (IRT models. The present paper provides an expository account of the DAT Gibbs sampler for the 2PL model. However, the scope is not limited to the 2PL model. It is demonstrated how the DA-T Gibbs sampler for the 2PL may be used to build, quite easily, Gibbs samplers for other IRT models. Furthermore, the paper contains a novel, intuitive derivation of the Gibbs sampler and could be read for a graduate course on sampling.
Rapidly Mixing Gibbs Sampling for a Class of Factor Graphs Using Hierarchy Width.
De Sa, Christopher; Zhang, Ce; Olukotun, Kunle; Ré, Christopher
2015-12-01
Gibbs sampling on factor graphs is a widely used inference technique, which often produces good empirical results. Theoretical guarantees for its performance are weak: even for tree structured graphs, the mixing time of Gibbs may be exponential in the number of variables. To help understand the behavior of Gibbs sampling, we introduce a new (hyper)graph property, called hierarchy width. We show that under suitable conditions on the weights, bounded hierarchy width ensures polynomial mixing time. Our study of hierarchy width is in part motivated by a class of factor graph templates, hierarchical templates, which have bounded hierarchy width-regardless of the data used to instantiate them. We demonstrate a rich application from natural language processing in which Gibbs sampling provably mixes rapidly and achieves accuracy that exceeds human volunteers.
Bergdahl, B.G.; Liao, B.; Sieurin, J. [EuroSim AB, Nykoeping (Sweden)
1996-05-01
A Decision Support System to reduce NO{sub x} emission from combustion processes with SNCR system have been developed and tested in full scale at Oerebro Energy. The boiler is a 165 MWh{sub th} CFB and have been fired with a mixture of biomass, peat and coal. The results proves that the EuroSim method works to calculate the derivative included in the Decision Support System. The Decision Support System is a tool for the operator of the plant, he will be informed of the advantage of making an increase or decrease of the ammonia flow or excess air. The trend curves that are presented to the operator includes information about the economic value to make an adjustment of the ammonia flow. The derivative dNO{sub x}/dO{sub 2} shows the advantage of making a reduction in the excess air level, concerning the fee for NO{sub x}. In this case it is important to take into consideration the risk for understoichiometric combustion and corrosion. The results from the full scale test in the Oerebro Plant shows that during some time periods it is economical to shut off the ammonia flow. The derivative dNO{sub x}/dAF is under the profitability limit. This indicate that the cost for the ammonia is higher than the fee for the NO{sub x} emission. If the ammonia flow is added in excess, the emission of ammonia and N{sub 2}O will increase. During other time periods the Decision Support System shows that it is profitable to increase the ammonia flow, the derivative is lower than -0,2. The derivative dNO{sub x}/dO{sub 2} is normally between 10 and 20 (ppm/%). This indicate that it is a great potential to reduce the NO{sub x} fee by decreasing the excess air level in the boiler. 3 refs, 23 figs
The MaxEnt extension of a quantum Gibbs family, convex geometry and geodesics
Weis, Stephan [Max-Planck-Institute for Mathematics in the Sciences, Inselstraße 22, D-04103 Leipzig (Germany)
2015-01-13
We discuss methods to analyze a quantum Gibbs family in the ultra-cold regime where the norm closure of the Gibbs family fails due to discontinuities of the maximum-entropy inference. The current discussion of maximum-entropy inference and irreducible correlation in the area of quantum phase transitions is a major motivation for this research. We extend a representation of the irreducible correlation from finite temperatures to absolute zero.
Residuals and goodness-of-fit tests for stationary marked Gibbs point processes
2010-01-01
International audience; The inspection of residuals is a fundamental step to investigate the quality of adjustment of a parametric model to data. For spatial point processes, the concept of residuals has been recently proposed by Baddeley et al. (2005) as an empirical counterpart of the {\\it Campbell equilibrium} equation for marked Gibbs point processes. The present paper focuses on stationary marked Gibbs point processes and deals with asymptotic properties of residuals for such processes. ...
The MaxEnt extension of a quantum Gibbs family, convex geometry and geodesics
Weis, Stephan
2015-01-01
We discuss methods to analyze a quantum Gibbs family in the ultra-cold regime where the norm closure of the Gibbs family fails due to discontinuities of the maximum-entropy inference. The current discussion of maximum-entropy inference and irreducible correlation in the area of quantum phase transitions is a major motivation for this research. We extend a representation of the irreducible correlation from finite temperatures to absolute zero.
Boundary Conditions for Translation-Invariant Gibbs Measures of the Potts Model on Cayley Trees
Gandolfo, D.; Rahmatullaev, M. M.; Rozikov, U. A.
2017-06-01
We consider translation-invariant splitting Gibbs measures (TISGMs) for the q-state Potts model on a Cayley tree of order two. Recently a full description of the TISGMs was obtained, and it was shown in particular that at sufficiently low temperatures their number is 2q-1. In this paper for each TISGM μ we explicitly give the set of boundary conditions such that limiting Gibbs measures with respect to these boundary conditions coincide with μ.
Wang, Haijiao; Chen, Zhe; Jiang, Quanyuan
2015-01-01
This study proposes an optimal control method for variable speed wind turbines (VSWTs) based wind farm (WF) to support temporary primary frequency control. This control method consists of two layers: temporary frequency support control (TFSC) of the VSWT, and temporary support power optimal...... dispatch (TSPOD) of the WF. With TFSC, the VSWT could temporarily provide extra power to support system frequency under varying and wide-range wind speed. In the WF control centre, TSPOD optimally dispatches the frequency support power orders to the VSWTs that operate under different wind speeds, minimises...... the wind energy cost of frequency support, and satisfies the support capabilities of the VSWTs. The effectiveness of the whole control method is verified in the IEEE-RTS built in MATLABSimulink, and compared with a published de-loading method....
Shanshan He
2015-10-01
Full Text Available Piecewise linear (G01-based tool paths generated by CAM systems lack G1 and G2 continuity. The discontinuity causes vibration and unnecessary hesitation during machining. To ensure efficient high-speed machining, a method to improve the continuity of the tool paths is required, such as B-spline fitting that approximates G01 paths with B-spline curves. Conventional B-spline fitting approaches cannot be directly used for tool path B-spline fitting, because they have shortages such as numerical instability, lack of chord error constraint, and lack of assurance of a usable result. Progressive and Iterative Approximation for Least Squares (LSPIA is an efficient method for data fitting that solves the numerical instability problem. However, it does not consider chord errors and needs more work to ensure ironclad results for commercial applications. In this paper, we use LSPIA method incorporating Energy term (ELSPIA to avoid the numerical instability, and lower chord errors by using stretching energy term. We implement several algorithm improvements, including (1 an improved technique for initial control point determination over Dominant Point Method, (2 an algorithm that updates foot point parameters as needed, (3 analysis of the degrees of freedom of control points to insert new control points only when needed, (4 chord error refinement using a similar ELSPIA method with the above enhancements. The proposed approach can generate a shape-preserving B-spline curve. Experiments with data analysis and machining tests are presented for verification of quality and efficiency. Comparisons with other known solutions are included to evaluate the worthiness of the proposed solution.
Mikkel B. Schneller
2015-03-01
Full Text Available We compared the accuracy of five objective methods, including two newly developed methods combining accelerometry and activity type recognition (Acti4, against indirect calorimetry, to estimate total energy expenditure (EE of different activities in semi-standardized settings. Fourteen participants performed a standardized and semi-standardized protocol including seven daily life activity types, while having their EE measured by indirect calorimetry. Simultaneously, physical activity was quantified by an ActivPAL3, two ActiGraph GT3X+’s and an Actiheart. EE was estimated by the standard ActivPAL3 software (ActivPAL, ActiGraph GT3X+ (ActiGraph and Actiheart (Actiheart, and by a combination of activity type recognition via Acti4 software and activity counts per minute (CPM of either a hip- or thigh-worn ActiGraph GT3X+ (AGhip + Acti4 and AGthigh + Acti4. At group level, estimated physical activities EE by Actiheart (MSE = 2.05 and AGthigh + Acti4 (MSE = 0.25 were not significantly different from measured EE by indirect calorimetry, while significantly underestimated by ActiGraph, ActivPAL and AGhip + Acti4. AGthigh + Acti4 and Actiheart explained 77% and 45%, of the individual variations in measured physical activity EE by indirect calorimetry, respectively. This study concludes that combining accelerometer data from a thigh-worn ActiGraph GT3X+ with activity type recognition improved the accuracy of activity specific EE estimation against indirect calorimetry in semi-standardized settings compared to previously validated methods using CPM only.
Rigorous Proof of the Boltzmann-Gibbs Distribution of Money on Connected Graphs
Lanchier, Nicolas
2017-04-01
Models in econophysics, i.e., the emerging field of statistical physics that applies the main concepts of traditional physics to economics, typically consist of large systems of economic agents who are characterized by the amount of money they have. In the simplest model, at each time step, one agent gives one dollar to another agent, with both agents being chosen independently and uniformly at random from the system. Numerical simulations of this model suggest that, at least when the number of agents and the average amount of money per agent are large, the distribution of money converges to an exponential distribution reminiscent of the Boltzmann-Gibbs distribution of energy in physics. The main objective of this paper is to give a rigorous proof of this result and show that the convergence to the exponential distribution holds more generally when the economic agents are located on the vertices of a connected graph and interact locally with their neighbors rather than globally with all the other agents. We also study a closely related model where, at each time step, agents buy with a probability proportional to the amount of money they have, and prove that in this case the limiting distribution of money is Poissonian.
Tejeda-Yeomans, Maria E; Sanchez, Angel; Piccinelli, Gabriella; Ayala, Alejandro
2008-01-01
The study of the universe's primordial plasma at high temperature plays an important role when tackling different questions in cosmology, such as the origin of the matter-antimatter asymmetry. In the Minimal Standard Model (MSM) neither the amount of CP violation nor the strength of the phase transition are enough to produce and preserve baryon number during the Electroweak Phase Transition (EWPT), which are two of the three ingredients needed to develop baryon asymmetry. In this talk we present the first part of the analysis done within a scenario where it is viable to have improvements to the aforementioned situation: we work with the degrees of freedom in the broken symmetry phase of the MSM and analyze the development of the EWPT in the presence of a weak magnetic field. More specifically, we calculate the particle self-energies that include the effects of the weak magnetic field, needed for the MSM effective potential up to ring diagrams.
Search for dilepton signatures from minimal low-energy supergravity in pp¯ collisions at s=1.8 TeV
Abbott, B.; Abolins, M.; Abramov, V.; Acharya, B. S.; Adams, D. L.; Adams, M.; Alves, G. A.; Amos, N.; Anderson, E. W.; Baarmand, M. M.; Babintsev, V. V.; Babukhadia, L.; Baden, A.; Baldin, B.; Balm, P. W.; Banerjee, S.; Bantly, J.; Barberis, E.; Baringer, P.; Bartlett, J. F.; Bassler, U.; Bean, A.; Begel, M.; Belyaev, A.; Beri, S. B.; Bernardi, G.; Bertram, I.; Besson, A.; Bezzubov, V. A.; Bhat, P. C.; Bhatnagar, V.; Bhattacharjee, M.; Blazey, G.; Blessing, S.; Boehnlein, A.; Bojko, N. I.; Borcherding, F.; Brandt, A.; Breedon, R.; Briskin, G.; Brock, R.; Brooijmans, G.; Bross, A.; Buchholz, D.; Buehler, M.; Buescher, V.; Burtovoi, V. S.; Butler, J. M.; Canelli, F.; Carvalho, W.; Casey, D.; Casilum, Z.; Castilla-Valdez, H.; Chakraborty, D.; Chan, K. M.; Chekulaev, S. V.; Cho, D. K.; Choi, S.; Chopra, S.; Choudhary, B. C.; Christenson, J. H.; Chung, M.; Claes, D.; Clark, A. R.; Cochran, J.; Coney, L.; Connolly, B.; Cooper, W. E.; Coppage, D.; Cummings, M. A.; Cutts, D.; Dahl, O. I.; Davis, G. A.; Davis, K.; de, K.; del Signore, K.; Demarteau, M.; Demina, R.; Demine, P.; Denisov, D.; Denisov, S. P.; Desai, S.; Diehl, H. T.; Diesburg, M.; di Loreto, G.; Doulas, S.; Draper, P.; Ducros, Y.; Dudko, L. V.; Duensing, S.; Dugad, S. R.; Dyshkant, A.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Engelmann, R.; Eno, S.; Eppley, G.; Ermolov, P.; Eroshin, O. V.; Estrada, J.; Evans, H.; Evdokimov, V. N.; Fahland, T.; Feher, S.; Fein, D.; Ferbel, T.; Fisk, H. E.; Fisyak, Y.; Flattum, E.; Fleuret, F.; Fortner, M.; Frame, K. C.; Fuess, S.; Gallas, E.; Galyaev, A. N.; Gartung, P.; Gavrilov, V.; Genik, R. J.; Genser, K.; Gerber, C. E.; Gershtein, Y.; Gibbard, B.; Gilmartin, R.; Ginther, G.; Gómez, B.; Gómez, G.; Goncharov, P. I.; González Solís, J. L.; Gordon, H.; Goss, L. T.; Gounder, K.; Goussiou, A.; Graf, N.; Graham, G.; Grannis, P. D.; Green, J. A.; Greenlee, H.; Grinstein, S.; Grudberg, P.; Grünendahl, S.; Gupta, A.; Gurzhiev, S. N.; Gutierrez, G.; Gutierrez, P.; Hadley, N. J.; Haggerty, H.; Hagopian, S.; Hagopian, V.; Hahn, K. S.; Hall, R. E.; Hanlet, P.; Hansen, S.; Hauptman, J. M.; Hays, C.; Hebert, C.; Hedin, D.; Heinson, A. P.; Heintz, U.; Heuring, T.; Hirosky, R.; Hobbs, J. D.; Hoeneisen, B.; Hoftun, J. S.; Hou, S.; Huang, Y.; Ito, A. S.; Jerger, S. A.; Jesik, R.; Johns, K.; Johnson, M.; Jonckheere, A.; Jones, M.; Jöstlein, H.; Juste, A.; Kahn, S.; Kajfasz, E.; Karmanov, D.; Karmgard, D.; Kehoe, R.; Kim, S. K.; Klima, B.; Klopfenstein, C.; Knuteson, B.; Ko, W.; Kohli, J. M.; Kostritskiy, A. V.; Kotcher, J.; Kotwal, A. V.; Kozelov, A. V.; Kozlovsky, E. A.; Krane, J.; Krishnaswamy, M. R.; Krzywdzinski, S.; Kubantsev, M.; Kuleshov, S.; Kulik, Y.; Kunori, S.; Kuznetsov, V. E.; Landsberg, G.; Leflat, A.; Lehner, F.; Li, J.; Li, Q. Z.; Lima, J. G.; Lincoln, D.; Linn, S. L.; Linnemann, J.; Lipton, R.; Lucotte, A.; Lueking, L.; Lundstedt, C.; Maciel, A. K.; Madaras, R. J.; Manankov, V.; Mani, S.; Mao, H. S.; Marshall, T.; Martin, M. I.; Martin, R. D.; Mauritz, K. M.; May, B.; Mayorov, A. A.; McCarthy, R.; McDonald, J.; McMahon, T.; Melanson, H. L.; Meng, X. C.; Merkin, M.; Merritt, K. W.; Miao, C.; Miettinen, H.; Mihalcea, D.; Mincer, A.; Mishra, C. S.; Mokhov, N.; Mondal, N. K.; Montgomery, H. E.; Mostafa, M.; da Motta, H.; Nagy, E.; Nang, F.; Narain, M.; Narasimham, V. S.; Neal, H. A.; Negret, J. P.; Negroni, S.; Norman, D.; Oesch, L.; Oguri, V.; Olivier, B.; Oshima, N.; Padley, P.; Pan, L. J.; Para, A.; Parashar, N.; Partridge, R.; Parua, N.; Paterno, M.; Patwa, A.; Pawlik, B.; Perkins, J.; Peters, M.; Peters, O.; Piegaia, R.; Piekarz, H.; Pope, B. G.; Popkov, E.; Prosper, H. B.; Protopopescu, S.; Qian, J.; Quintas, P. Z.; Raja, R.; Rajagopalan, S.; Ramberg, E.; Rapidis, P.; Reay, N. W.; Reucroft, S.; Rha, J.; Rijssenbeek, M.; Rockwell, T.; Roco, M.; Rubinov, P.; Ruchti, R.; Rutherfoord, J.; Santoro, A.; Sawyer, L.; Schamberger, R. D.; Schellman, H.; Schwartzman, A.; Sculli, J.; Sen, N.; Shabalina, E.; Shankar, H. C.; Shivpuri, R. K.; Shpakov, D.; Shupe, M.; Sidwell, R. A.; Simak, V.; Singh, H.; Singh, J. B.; Sirotenko, V.; Slattery, P.; Smith, E.; Smith, R. P.; Snihur, R.; Snow, G. R.; Snow, J.; Snyder, S.; Solomon, J.; Sorín, V.; Sosebee, M.; Sotnikova, N.; Soustruznik, K.; Souza, M.; Stanton, N. R.; Steinbrück, G.; Stephens, R. W.; Stevenson, M. L.; Stichelbaut, F.; Stoker, D.; Stolin, V.; Stoyanova, D. A.; Strauss, M.; Streets, K.; Strovink, M.; Stutte, L.; Sznajder, A.; Taylor, W.; Tentindo-Repond, S.; Thompson, J.; Toback, D.; Trippe, T. G.; Turcot, A. S.; Tuts, P. M.; van Gemmeren, P.; Vaniev, V.; van Kooten, R.; Varelas, N.; Volkov, A. A.; Vorobiev, A. P.; Wahl, H. D.; Wang, H.; Wang, Z.-M.; Warchol, J.; Watts, G.; Wayne, M.; Weerts, H.; White, A.; White, J. T.; Whiteson, D.; Wightman, J. A.; Wijngaarden, D. A.; Willis, S.; Wimpenny, S. J.; Wirjawan, J. V.; Womersley, J.; Wood, D. R.; Yamada, R.; Yamin, P.; Yasuda, T.; Yip, K.; Youssef, S.; Yu, J.; Yu, Z.; Zanabria, M.; Zheng, H.; Zhou, Z.; Zhu, Z. H.; Zielinski, M.; Zieminska, D.; Zieminski, A.; Zutshi, V.; Zverev, E. G.; Zylberstejn, A.
2001-05-01
We report on a search for supersymmetry using the DØ detector. The 1994-1996 data sample of s=1.8 TeV pp¯ collisions was analyzed for events containing two leptons (e or μ), two or more jets, and missing transverse energy. Assuming the minimal supergravity model, with A0=0 and μ<0, various thresholds were employed to optimize the search. No events were found beyond expectation from the background. We set a lower limit at the 95% C.L. of 255 GeV/c2 for equal mass squarks and gluinos for tan β=2, and present exclusion contours in the (m0,m1/2) plane for tan β=2-6.
吴彪; 张颖; 张兆扬
2006-01-01
This paper proposes an optimal solution to choose the number of enhancement layers in fine granularity scalability (FGS) scheme under the constraint of minimum transmission energy, in which FGS is combined with transmission energy control, so that FGS enhancement layer transmission energy is minimized while the distortion guaranteed. By changing the bit-plane level and packet loss rate, minimum transmission energy of enhancement layer is obtained, while the expected distortion is satisfied.
Senouci, S.M.; Pujolle, G. [Paris-6 Univ., Lab. LIP6, 75 (France)
2005-04-01
An ad hoc network is a collection of wireless devices forming a temporary network independently of any administration or fixed infrastructure. The main benefits of this new generation of mobile networks are flexibility and their low cost. Wireless devices have maximum utility when they can be used 'anywhere at anytime'. However, one of the greatest limitations to that goal is the finite power supplies. Since batteries provide limited power, a general constraint of wireless communication is the short continuous operation time of mobile terminals. This constraint is more important for the ad hoc networks, since every terminal has to perform the functions of a router. Therefore, energy consumption should be a crucial issue while designing new communication protocols and particularly ad hoc routing protocols. We propose, in this paper, some extensions to the most important on-demand routing algorithm, AODV (Ad hoc On demand Distance Vector). The discovery mechanism in these extensions uses energy as a routing metric. These algorithms improve the network survivability by maintaining the network connectivity, which is the strong requirement for a high-quality communication. They carry out this objective with low message overhead for computing routes and without affecting the other network protocol layers. (authors)
Pan-STARRS 1 observations of the unusual active Centaur P/2011 S1(Gibbs)
Lin, H W; Lacerda, P; Ip, W H; Holman, M; Protopapas, P; Chen, W P; Burgett, W S; Chambers, K C; Flewelling, H; Huber, M E; Jedicke, R; Kaiser, N; Magnier, E A; Metcalfe, N; Price, P A
2014-01-01
P/2011 S1 (Gibbs) is an outer solar system comet or active Centaur with a similar orbit to that of the famous 29P/Schwassmann-Wachmann 1. P/2011 S1 (Gibbs) has been observed by the Pan-STARRS 1 (PS1) sky survey from 2010 to 2012. The resulting data allow us to perform multi-color studies of the nucleus and coma of the comet. Analysis of PS1 images reveals that P/2011 S1 (Gibbs) has a small nucleus $< 4$ km radius, with colors $g_{P1}-r_{P1} = 0.5 \\pm 0.02$, $r_{P1}-i_{P1} = 0.12 \\pm 0.02$ and $i_{P1}-z_{P1} = 0.46 \\pm 0.03$. The comet remained active from 2010 to 2012, with a model-dependent mass-loss rate of $\\sim100$ kg s$^{-1}$. The mass-loss rate per unit surface area of P/2011 S1 (Gibbs) is as high as that of 29P/Schwassmann-Wachmann 1, making it one of the most active Centaurs. The mass-loss rate also varies with time from $\\sim 40$ kg s$^{-1}$ to 150 kg s$^{-1}$. Due to its rather circular orbit, we propose that P/2011 S1 (Gibbs) has 29P/Schwassmann-Wachmann 1-like outbursts that control the outgass...
Practical examples of energy-saving and pollution minimization of dyeing processes%节能减排染色工艺实例解析
赵利强
2011-01-01
Various dyeing processes with energy-saving and pollution minimization ara introduced, including cold pad-batch pretreatment , enzyme batching pretreatment, pigment dyeing , indanthrene leuco dyeing, continuous pad-steam dyeing with reactive dyes, as well as sulfur dyeing requiring no mercerization.Color fastness and process costs between the traditional process and the energy conserving processes are compared.%介绍了冷轧堆、酶堆前处理工艺、涂料染色、士林隐色体染色、活性染料轧蒸连续染色、无需丝光的短流程硫化染料染色等节能减排的染色工艺及操作注意事项;分析比较了传统染色工艺和短流程节能减排染色工艺的产品的染色牢度指标,以及各种工艺的生产成本.
Weigel, Brent A.
In urbanized areas, building and transportation systems generally comprise the majority of energy consumption and greenhouse gas (GHG) emissions. Realization of global environmental sustainability depends upon efficiency improvements of building and transportation systems in the built environment. The selection of efficient buildings and locations can help to improve the efficient utilization of transportation and building systems. Green building design and rating frameworks provide some guidance and incentive for the development of more efficient building and transportation systems. However, current frameworks are based primarily on prescriptive, component standards, rather than performance-based, whole-building evaluations. This research develops a commercial building/site evaluation framework for the minimization of energy consumption and GHG emissions of transportation and building systems through building/site selection. The framework examines, under uncertainty, multiple dimensions of building/site operation efficiencies: transportation access to/from a building site; heating, ventilation, air conditioning, and domestic hot water; interior and exterior lighting; occupant conveyances; and energy supply. With respect to transportation systems, the framework leverages regional travel demand model data to estimate the activity associated with home-based work and non-homebased work trips. A Monte Carlo simulation approach is used to quantify the dispersion in the estimated trip distances, travel times, and mode choice. The travel activity estimates are linked with a variety of existing calculation resources for quantifying energy consumption and GHG emissions. With respect to building systems, the framework utilizes a building energy simulation approach to estimate energy consumption and GHG emissions. The building system calculation procedures include a sensitivity analysis and Monte Carlo analysis to account for the impacts of input parameter uncertainty on
The standard map: From Boltzmann-Gibbs statistics to Tsallis statistics.
Tirnakli, Ugur; Borges, Ernesto P
2016-03-23
As well known, Boltzmann-Gibbs statistics is the correct way of thermostatistically approaching ergodic systems. On the other hand, nontrivial ergodicity breakdown and strong correlations typically drag the system into out-of-equilibrium states where Boltzmann-Gibbs statistics fails. For a wide class of such systems, it has been shown in recent years that the correct approach is to use Tsallis statistics instead. Here we show how the dynamics of the paradigmatic conservative (area-preserving) stan-dard map exhibits, in an exceptionally clear manner, the crossing from one statistics to the other. Our results unambiguously illustrate the domains of validity of both Boltzmann-Gibbs and Tsallis statistical distributions. Since various important physical systems from particle confinement in magnetic traps to autoionization of molecular Rydberg states, through particle dynamics in accelerators and comet dynamics, can be reduced to the standard map, our results are expected to enlighten and enable an improved interpretation of diverse experimental and observational results.
The osmotic second virial coefficient and the Gibbs-McMillan-Mayer framework
Mollerup, J.M.; Breil, Martin Peter
2009-01-01
. The independent variables of the solvents are temperature, pressure, and chemical potentials. The derivatives in the Gibbs-McMillan-Mayer framework are transformed into derivatives in the Gibbs framework. This offers the possibility for an interpretation and correlation of the osmotic second virial coefficient......The osmotic second virial coefficient is a key parameter in light scattering, protein crystallisation. self-interaction chromatography, and osmometry. The interpretation of the osmotic second virial coefficient depends on the set of independent variables. This commonly includes the independent...... variables associated with the Kirkwood-Buff, the McMillan-Mayer, and the Lewis-Randall solution theories. In this paper we analyse the osmotic second virial coefficient using a Gibbs-McMillan-Mayer framework which is similar to the McMillan-Mayer framework with the exception that pressure rather than volume...
Stepančič, Ziva
2014-10-01
Finding short patterns with residue variation in a set of sequences is still an open problem in genetics, since motif-finding techniques on DNA and protein sequences are inconclusive on real data sets and their performance varies on different species. Hence, finding new algorithms and evolving established methods are vital to further understanding of genome properties and the mechanisms of protein development. In this work, we present an approach to finding functional motifs in DNA sequences in connection to Gibbs sampling method. Starting points in the search space are partly determined via graphical representation of input sequences opposed to completely random initial points with the standard Gibbs sampling. Our algorithm is evaluated on synthetic as well as on real data sets by using several statistics, such as sensitivity, positive predictive value, specificity, performance, and correlation coefficient. Additionally, a comparison between our algorithm and the basic standard Gibbs sampling algorithm is made to show improvement in accuracy, repeatability, and performance.
张贞; 郭源
2012-01-01
Langmuir monolayer and Gibbs layer exhibit surface-active properties and it can be used as simple model systems to investigate the physicochemical properties of biological membranes. In this report, we presented the OH stretching vibration of H2O in the 4＂-n-pentyl-4-cyano-p-terphenyl （5CT）, nonadecanenitrile （C18CN） Langmuir monolayer and compared them with CH3CN Gibbs layer at the air/water interface with polarization SFG-VS. This study demonstrated that the hydrogen bond network is different in the Langmuir monolayer of 5CT, C18CN from CH3CN Gibbs layer at the air/water interface which showed two different water structures on the different surface layer. The results provided a deeper insight into understanding the hydrogen bond on the interfaces.
沈丽; 魏利滨; 宋中庆; 王卫东
2007-01-01
无机化学教材中,多处提到Gibbs-Helmholtz方程的近似形式,文章就如何掌握好问题的广度和深度,讲清近似估算和精确计算的差距以及合理近似的条件问题进行分析.
Maltsev, Victor A; Lakatta, Edward G
2013-06-01
Recent evidence supports the idea that robust and, importantly, FLEXIBLE automaticity of cardiac pacemaker cells is conferred by a coupled system of membrane ion currents (an "M-clock") and a sarcoplasmic reticulum (SR)-based Ca(2+) oscillator ("Ca(2+)clock") that generates spontaneous diastolic Ca(2+) releases. This study identified numerical models of a human biological pacemaker that features robust and flexible automaticity generated by a minimal set of electrogenic proteins and a Ca(2+)clock. Following the Occam's razor principle (principle of parsimony), M-clock components of unknown molecular origin were excluded from Maltsev-Lakatta pacemaker cell model and thirteen different model types of only 4 or 5 components were derived and explored by a parametric sensitivity analysis. The extended ranges of SR Ca(2+) pumping (i.e. Ca(2+)clock performance) and conductance of ion currents were sampled, yielding a large variety of parameter combination, i.e. specific model sets. We tested each set's ability to simulate autonomic modulation of human heart rate (minimum rate of 50 to 70bpm; maximum rate of 140 to 210bpm) in response to stimulation of cholinergic and β-adrenergic receptors. We found that only those models that include a Ca(2+)clock (including the minimal 4-parameter model "ICaL+IKr+INCX+Ca(2+)clock") were able to reproduce the full range of autonomic modulation. Inclusion of If or ICaT decreased the flexibility, but increased the robustness of the models (a relatively larger number of sets did not fail during testing). The new models comprised of components with clear molecular identity (i.e. lacking IbNa & Ist) portray a more realistic pacemaking: A smaller Na(+) influx is expected to demand less energy for Na(+) extrusion. The new large database of the reduced coupled-clock numerical models may serve as a useful tool for the design of biological pacemakers. It will also provide a conceptual basis for a general theory of robust, flexible, and energy
Maltsev, Victor A.; Lakatta, Edward G.
2015-01-01
Recent evidence supports the idea that robust and, importantly, FLEXIBLE automaticity of cardiac pacemaker cells is conferred by a coupled system of membrane ion currents (an “M-clock”) and a sarcoplasmic reticulum (SR)-based Ca2+ oscillator (“Ca2+clock”) that generates spontaneous diastolic Ca2+ releases. This study identified numerical models of a human biological pacemaker that features robust and flexible automaticity generated by a minimal set of electrogenic proteins and a Ca2+clock. Following the Occam’s razor principle (principle of parsimony), M-clock components of unknown molecular origin were excluded from Maltsev-Lakatta pacemaker cell model and thirteen different model types of only 4 or 5 components were derived and explored by a parametric sensitivity analysis. The extended ranges of SR Ca2+ pumping (i.e. Ca2+clock performance) and conductance of ion currents were sampled, yielding a large variety of parameter combination, i.e. specific model sets. We tested each set’s ability to simulate autonomic modulation of human heart rate (minimum rate of 50 to 70 bpm; maximum rate of 140 to 210 bpm) in response to stimulation of cholinergic and β-adrenergic receptors. We found that only those models that include a Ca2+clock (including the minimal 4-parameter model “ICaL+IKr+INCX+Ca2+clock”) were able to reproduce the full range of autonomic modulation. Inclusion of If or ICaT decreased the flexibility, but increased the robustness of the models (a relatively larger number of sets did not fail during testing). The new models comprised of components with clear molecular identity (i.e. lacking IbNa & Ist) portray a more realistic pacemaking: A smaller Na+ influx is expected to demand less energy for Na+ extrusion. The new large database of the reduced coupled-clock numerical models may serve as a useful tool for the design of biological pacemakers. It will also provide a conceptual basis for a general theory of robust, flexible, and energy
... to your desktop! more... What Is Minimally Invasive Dentistry? Article Chapters What Is Minimally Invasive Dentistry? Minimally ... techniques. Reviewed: January 2012 Related Articles: Minimally Invasive Dentistry Minimally Invasive Veneers Dramatically Change Smiles What Patients ...
Wirth, Erin A.; Long, Maureen D.; Moriarty, John C.
2017-01-01
Teleseismic receiver functions contain information regarding Earth structure beneath a seismic station. P-to-SV converted phases are often used to characterize crustal and upper-mantle discontinuities and isotropic velocity structures. More recently, P-to-SH converted energy has been used to interrogate the orientation of anisotropy at depth, as well as the geometry of dipping interfaces. Many studies use a trial-and-error forward modeling approach for the interpretation of receiver functions, generating synthetic receiver functions from a user-defined input model of Earth structure and amending this model until it matches major features in the actual data. While often successful, such an approach makes it impossible to explore model space in a systematic and robust manner, which is especially important given that solutions are likely non-unique. Here, we present a Markov chain Monte Carlo algorithm with Gibbs sampling for the interpretation of anisotropic receiver functions. Synthetic examples are used to test the viability of the algorithm, suggesting that it works well for models with a reasonable number of free parameters (<˜20). Additionally, the synthetic tests illustrate that certain parameters are well constrained by receiver function data, while others are subject to severe trade-offs-an important implication for studies that attempt to interpret Earth structure based on receiver function data. Finally, we apply our algorithm to receiver function data from station WCI in the central United States. We find evidence for a change in anisotropic structure at mid-lithospheric depths, consistent with previous work that used a grid search approach to model receiver function data at this station. Forward modeling of receiver functions using model space search algorithms, such as the one presented here, provide a meaningful framework for interrogating Earth structure from receiver function data.
Bachas, C; Wiese, K J; Bachas, Constantin; Doussal, Pierre Le; Wiese, Kay Joerg
2006-01-01
We study minimal surfaces which arise in wetting and capillarity phenomena. Using conformal coordinates, we reduce the problem to a set of coupled boundary equations for the contact line of the fluid surface, and then derive simple diagrammatic rules to calculate the non-linear corrections to the Joanny-de Gennes energy. We argue that perturbation theory is quasi-local, i.e. that all geometric length scales of the fluid container decouple from the short-wavelength deformations of the contact line. This is illustrated by a calculation of the linearized interaction between contact lines on two opposite parallel walls. We present a simple algorithm to compute the minimal surface and its energy based on these ideas. We also point out the intriguing singularities that arise in the Legendre transformation from the pure Dirichlet to the mixed Dirichlet-Neumann problem.
Frandsen, Mads Toudal
2007-01-01
I report on our construction and analysis of the effective low energy Lagrangian for the Minimal Walking Technicolor (MWT) model. The parameters of the effective Lagrangian are constrained by imposing modified Weinberg sum rules and by imposing a value for the S parameter estimated from the under...... the underlying Technicolor theory. The constrained effective Lagrangian allows for an inverted vector vs. axial-vector mass spectrum in a large part of the parameter space....
Agnati, Luigi F; Guidolin, Diego; Marcoli, Manuela; Genedani, Susanna; Borroto-Escuela, Dasiel; Maura, Guido; Fuxe, Kjell
2014-01-01
Two far-reaching theoretical approaches, namely "Neuro-semeiotics" (NS) and "Free-energy Minimization" (FEM), have been recently proposed as frames within which to put forward heuristic hypotheses on integrative brain actions. In the present paper these two theoretical approaches are briefly discussed in the perspective of a recent model of brain architecture and information handling based on what we suggest calling Jacob's tinkering principle, whereby "to create is to recombine!". The NS and FEM theoretical approaches will be discussed from the perspective both of the Roamer-Type Volume Transmission (especially exosome-mediated) of intercellular communication and of the impact of receptor oligomers and Receptor-Receptor Interactions (RRIs) on signal recognition/decoding processes. In particular, the Bio-semeiotics concept of "adaptor" will be used to analyze RRIs as an important feature of NS. Furthermore, the concept of phenotypic plasticity of cells will be introduced in view of the demonstration of the possible transfer of receptors (i.e., adaptors) into a computational network via exosomes (see also Appendix). Thus, Jacob's tinkering principle will be proposed as a theoretical basis for some learning processes both at the network level (Turing-like type of machine) and at the molecular level as a consequence of both the plastic changes in the adaptors caused by the allosteric interactions in the receptor oligomers and the intercellular transfer of receptors. Finally, on the basis of NS and FEM theories, a unified perspective for integrative brain actions will be proposed.
Kyriakis, Efstathios; Psomopoulos, Constantinos; Kokkotis, Panagiotis; Bourtsalas, Athanasios; Themelis, Nikolaos
2017-06-23
This study attempts the development of an algorithm in order to present a step by step selection method for the location and the size of a waste-to-energy facility targeting the maximum output energy, also considering the basic obstacle which is in many cases, the gate fee. Various parameters identified and evaluated in order to formulate the proposed decision making method in the form of an algorithm. The principle simulation input is the amount of municipal solid wastes (MSW) available for incineration and along with its net calorific value are the most important factors for the feasibility of the plant. Moreover, the research is focused both on the parameters that could increase the energy production and those that affect the R1 energy efficiency factor. Estimation of the final gate fee is achieved through the economic analysis of the entire project by investigating both expenses and revenues which are expected according to the selected site and outputs of the facility. In this point, a number of commonly revenue methods were included in the algorithm. The developed algorithm has been validated using three case studies in Greece-Athens, Thessaloniki, and Central Greece, where the cities of Larisa and Volos have been selected for the application of the proposed decision making tool. These case studies were selected based on a previous publication made by two of the authors, in which these areas where examined. Results reveal that the development of a «solid» methodological approach in selecting the site and the size of waste-to-energy (WtE) facility can be feasible. However, the maximization of the energy efficiency factor R1 requires high utilization factors while the minimization of the final gate fee requires high R1 and high metals recovery from the bottom ash as well as economic exploitation of recovered raw materials if any.
Analysis of Convergence Rates of Some Gibbs Samplers on Continuous State Spaces
Smith, Aaron
2011-01-01
We use a non-Markovian coupling and small modi?cations of techniques from the theory of ?nite Markov chains to analyze some Markov chains on continuous state spaces. The ?rst is a Gibbs sampler on narrow contingency tables, the second a gen- eralization of a sampler introduced by Randall and Winkler.
Modelling Distributed Shape Priors by Gibbs Random Fields of Second Order
Flach, Boris
2011-01-01
We analyse the potential of Gibbs Random Fields for shape prior modelling. We show that the expressive power of second order GRFs is already sufficient to express simple shapes and spatial relations between them simultaneously. This allows to model and recognise complex shapes as spatial compositions of simpler parts.
王凤雨
1995-01-01
Let (M, g) be a compact Riemannian manifold with boundary M. By using Dobrushin’suniqueness condition and estimates of the first Neumann eigenvalue, some uniqueness conditions of Gibbs statefor stochastic Ising models with spin space MZd are obtained. Moreover, the L2-convergence of diffusion stochastic Ising models is also studied.
Improved prediction of MHC class I and class II epitopes using a novel Gibbs sampling approach
Nielsen, Morten; Lundegaard, Claus; Worning, Peder;
2004-01-01
to the MHC class II complex HLA-DR4(B1*0401). Prior identification of information-rich (anchor) positions in the binding motif is shown to improve the predictive performance of the Gibbs sampler. Similarly, a consensus solution obtained from an ensemble average over suboptimal solutions is shown...
A note on Bayesian logistic regression for spatial exponential family Gibbs point processes
Rajala, Tuomas
2014-01-01
Recently, a very attractive logistic regression inference method for exponential family Gibbs spatial point processes was introduced. We combined it with the technique of quadratic tangential variational approximation and derived a new Bayesian technique for analysing spatial point patterns. The technique is described in detail, and demonstrated on numerical examples.
Experimental Pragmatics and What Is Said: A Response to Gibbs and Moise.
Nicolle, Steve; Clark, Billy
1999-01-01
Attempted replication of Gibbs and Moise (1997) experiments regarding the recognition of a distinction between what is said and what is implicated. Results showed that, under certain conditions, subject selected implicatures when asked to select the paraphrase best reflecting what a speaker has said. Suggests that results can be explained with the…
A Manifold of Pure Gibbs States of the Ising Model on the Lobachevsky Plane
Gandolfo, Daniel; Ruiz, Jean; Shlosman, Senya
2015-02-01
In this paper we construct many `new' Gibbs states of the Ising model on the Lobachevsky plane, the millefeuilles. Unlike the usual states on the integer lattices, our foliated states have infinitely many interfaces. The interfaces are rigid and fill the Lobachevsky plane with positive density. We also construct analogous states on the Cayley trees.
Gibbs Properties of the Fuzzy Potts Model on Trees and in Mean Field
Häggström, O.; Külske, C.
2004-01-01
We study Gibbs properties of the fuzzy Potts model in the mean field case (i.e. on a complete graph) and on trees. For the mean field case, a complete characterization of the set of temperatures for which non-Gibbsianness happens is given. The results for trees are somewhat less explicit, but we do
On the Practice of Bayesian Inference in Basic Economic Time Series Models using Gibbs Sampling
M.D. de Pooter (Michiel); R. Segers (René); H.K. van Dijk (Herman)
2006-01-01
textabstractSeveral lessons learned from a Bayesian analysis of basic economic time series models by means of the Gibbs sampling algorithm are presented. Models include the Cochrane-Orcutt model for serial correlation, the Koyck distributed lag model, the Unit Root model, the Instrumental Variables
Pan-STARRS 1 observations of the unusual active Centaur P/2011 S1(Gibbs)
Lin, H. W.; Ip, W. H.; Chen, W. P. [Institute of Astronomy, National Central University, Taoyuan 32001, Taiwan (China); Chen, Y. T. [Institute of Astronomy and Astrophysics, Academia Sinica, P.O. Box 23-141, Taipei 106, Taiwan (China); Lacerda, P. [Astrophysics Research Centre, School of Mathematics and Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Holman, M.; Protopapas, P. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Burgett, W. S.; Chambers, K. C.; Flewelling, H.; Huber, M. E.; Jedicke, R.; Kaiser, N.; Magnier, E. A.; Metcalfe, N. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Price, P. A., E-mail: edlin@gm.astro.ncu.edu.tw [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States)
2014-05-01
P/2011 S1 (Gibbs) is an outer solar system comet or active Centaur with a similar orbit to that of the famous 29P/Schwassmann-Wachmann 1. P/2011 S1 (Gibbs) has been observed by the Pan-STARRS 1 (PS1) sky survey from 2010 to 2012. The resulting data allow us to perform multi-color studies of the nucleus and coma of the comet. Analysis of PS1 images reveals that P/2011 S1 (Gibbs) has a small nucleus <4 km radius, with colors g {sub P1} – r {sub P1} = 0.5 ± 0.02, r {sub P1} – i {sub P1} = 0.12 ± 0.02, and i {sub P1} – z {sub P1} = 0.46 ± 0.03. The comet remained active from 2010 to 2012, with a model-dependent mass-loss rate of ∼100 kg s{sup –1}. The mass-loss rate per unit surface area of P/2011 S1 (Gibbs) is as high as that of 29P/Schwassmann-Wachmann 1, making it one of the most active Centaurs. The mass-loss rate also varies with time from ∼40 kg s{sup –1} to 150 kg s{sup –1}. Due to its rather circular orbit, we propose that P/2011 S1 (Gibbs) has 29P/Schwassmann-Wachmann 1-like outbursts that control the outgassing rate. The results indicate that it may have a similar surface composition to that of 29P/Schwassmann-Wachmann 1. Our numerical simulations show that the future orbital evolution of P/2011 S1 (Gibbs) is more similar to that of the main population of Centaurs than to that of 29P/Schwassmann-Wachmann 1. The results also demonstrate that P/2011 S1 (Gibbs) is dynamically unstable and can only remain near its current orbit for roughly a thousand years.
Tsao, C.-S.; Chen, C.-Y.; Huang, J.-Y.
2004-11-01
The structure factor model of small-angle x-ray scattering (SAXS) analysis is validated herein by transmission electron microscopy (TEM) result regarding the volume fraction and size of δ' precipitates. The kinetic behaviors of the number density and volume fraction of δ' precipitates in Al-Li alloys during the coarsening stage are quantitatively investigated by SAXS. The results indicate that the conventional kinetic law must be replaced by a more general equation that incorporates the Gibbs-Thomson effect and the time-dependence of the volume fraction during Ostwald ripening. This work also proposes new methods that combine the Gibbs-Thomson effect and the traditional SAXS equation to resolve more reliably and model independently the interfacial energy, the concentration of solute Li in the α matrix in equilibrium with δ' particles of a nanoscale radius Cαr , the equilibrium solubility of the α phase Ceα and the equilibrium concentration of δ' particles. The Gibbs-Thomson effect considers the effects of the interfacial energy and particle size on the equilibrium concentration. This effect quantitatively clarifies that the Cαr value is size-dependent and is related to the Ceα value and the interfacial energy. The traditional SAXS equation determines the Li concentrations in the δ' particles and the matrix from the measured scattering contrast. The traditionally determined solubility is in fact the Cαr value and is mistakenly regarded as the equilibrium concentration Ceα (corresponding to the radius is infinite). These results are compared to other results obtained by SAXS, TEM, and calculation. The time evolution of the transition interfacial layers between δ' particles and the matrix is extensively investigated using SAXS.
Scanning sequences after Gibbs sampling to find multiple occurrences of functional elements
Landsman David
2006-09-01
Full Text Available Abstract Background Many DNA regulatory elements occur as multiple instances within a target promoter. Gibbs sampling programs for finding DNA regulatory elements de novo can be prohibitively slow in locating all instances of such an element in a sequence set. Results We describe an improvement to the A-GLAM computer program, which predicts regulatory elements within DNA sequences with Gibbs sampling. The improvement adds an optional "scanning step" after Gibbs sampling. Gibbs sampling produces a position specific scoring matrix (PSSM. The new scanning step resembles an iterative PSI-BLAST search based on the PSSM. First, it assigns an "individual score" to each subsequence of appropriate length within the input sequences using the initial PSSM. Second, it computes an E-value from each individual score, to assess the agreement between the corresponding subsequence and the PSSM. Third, it permits subsequences with E-values falling below a threshold to contribute to the underlying PSSM, which is then updated using the Bayesian calculus. A-GLAM iterates its scanning step to convergence, at which point no new subsequences contribute to the PSSM. After convergence, A-GLAM reports predicted regulatory elements within each sequence in order of increasing E-values, so users have a statistical evaluation of the predicted elements in a convenient presentation. Thus, although the Gibbs sampling step in A-GLAM finds at most one regulatory element per input sequence, the scanning step can now rapidly locate further instances of the element in each sequence. Conclusion Datasets from experiments determining the binding sites of transcription factors were used to evaluate the improvement to A-GLAM. Typically, the datasets included several sequences containing multiple instances of a regulatory motif. The improvements to A-GLAM permitted it to predict the multiple instances.
Puibasset, Joël
2005-04-01
The effect of confinement on phase behavior of simple fluids is still an area of intensive research. In between experiment and theory, molecular simulation is a powerful tool to study the effect of confinement in realistic porous materials, containing some disorder. Previous simulation works aiming at establishing the phase diagram of a confined Lennard-Jones-type fluid, concentrated on simple pore geometries (slits or cylinders). The development of the Gibbs ensemble Monte Carlo technique by Panagiotopoulos [Mol. Phys. 61, 813 (1987)], greatly favored the study of such simple geometries for two reasons. First, the technique is very efficient to calculate the phase diagram, since each run (at a given temperature) converges directly to an equilibrium between a gaslike and a liquidlike phase. Second, due to volume exchange procedure between the two phases, at least one invariant direction of space is required for applicability of this method, which is the case for slits or cylinders. Generally, the introduction of some disorder in such simple pores breaks the initial invariance in one of the space directions and prevents to work in the Gibbs ensemble. The simulation techniques for such disordered systems are numerous (grand canonical Monte Carlo, molecular dynamics, histogram reweighting, N-P-T+test method, Gibbs-Duhem integration procedure, etc.). However, the Gibbs ensemble technique, which gives directly the coexistence between phases, was never generalized to such systems. In this work, we focus on two weakly disordered pores for which a modified Gibbs ensemble Monte Carlo technique can be applied. One of the pores is geometrically undulated, whereas the second is cylindrical but presents a chemical variation which gives rise to a modulation of the wall potential. In the first case almost no change in the phase diagram is observed, whereas in the second strong modifications are reported.
Logarithmic Superconformal Minimal Models
Pearce, Paul A; Tartaglia, Elena
2013-01-01
The higher fusion level logarithmic minimal models LM(P,P';n) have recently been constructed as the diagonal GKO cosets (A_1^{(1)})_k oplus (A_1^{(1)})_n / (A_1^{(1)})_{k+n} where n>0 is an integer fusion level and k=nP/(P'-P)-2 is a fractional level. For n=1, these are the logarithmic minimal models LM(P,P'). For n>1, we argue that these critical theories are realized on the lattice by n x n fusion of the n=1 models. For n=2, we call them logarithmic superconformal minimal models LSM(p,p') where P=|2p-p'|, P'=p' and p,p' are coprime, and they share the central charges of the rational superconformal minimal models SM(P,P'). Their mathematical description entails the fused planar Temperley-Lieb algebra which is a spin-1 BMW tangle algebra with loop fugacity beta_2=x^2+1+x^{-2} and twist omega=x^4 where x=e^{i(p'-p)pi/p'}. Examples are superconformal dense polymers LSM(2,3) with c=-5/2, beta_2=0 and superconformal percolation LSM(3,4) with c=0, beta_2=1. We calculate the free energies analytically. By numerical...
Channuie, Phongpichit; Jark Joergensen, Jakob; Sannino, Francesco
2011-01-01
We investigate models in which the inflaton emerges as a composite field of a four dimensional, strongly interacting and nonsupersymmetric gauge theory featuring purely fermionic matter. We show that it is possible to obtain successful inflation via non-minimal coupling to gravity, and that the u......We investigate models in which the inflaton emerges as a composite field of a four dimensional, strongly interacting and nonsupersymmetric gauge theory featuring purely fermionic matter. We show that it is possible to obtain successful inflation via non-minimal coupling to gravity......, and that the underlying dynamics is preferred to be near conformal. We discover that the compositeness scale of inflation is of the order of the grand unified energy scale....
Bagchi, Debarshee; Tsallis, Constantino
2017-04-01
The relaxation to equilibrium of two long-range-interacting Fermi-Pasta-Ulam-like models (β type) in thermal contact is numerically studied. These systems, with different sizes and energy densities, are coupled to each other by a few thermal contacts which are short-range harmonic springs. By using the kinetic definition of temperature, we compute the time evolution of temperature and energy density of the two systems. Eventually, for some time t >teq, the temperature and energy density of the coupled system equilibrate to values consistent with standard Boltzmann-Gibbs thermostatistics. The equilibration time teq depends on the system size N as teq ∼Nγ where γ ≃ 1.8. We compute the velocity distribution P (v) of the oscillators of the two systems during the relaxation process. We find that P (v) is non-Gaussian and is remarkably close to a q-Gaussian distribution for all times before thermal equilibrium is reached. During the relaxation process we observe q > 1 while close to t =teq the value of q converges to unity and P (v) approaches a Gaussian. Thus the relaxation phenomenon in long-ranged systems connected by a thermal contact can be generically described as a crossover from q-statistics to Boltzmann-Gibbs statistics.
Elimination of Gibbs and Nyquist-Shannon Phenomena in 3D Image Reconstruction
Martišek, Dalibor
2016-06-01
Fracture surfaces are often modelled by Fourier two-dimensional (2D) series that can be converted into digital 3D reliefs mapping the morphology of solid surfaces. Such digital replicas may suffer from various artifacts when processed inappropriately. The Gibbs phenomenon and spatial aliasing are two of those artifacts that may devalue Fourier replicas. The Gibbs phenomenon involves the fact that Fourier sums overshoot at a jump discontinuity, and that this overshoot does not die out as the frequency increases. According to the Nyquist-Shannon sampling theorem spatial aliasing occurs when Fourier frequencies exceed the Nyquist critical frequency. In this paper it is shown how we can fully eliminate these unpleasant effects.
Simultaneous alignment and clustering of peptide data using a Gibbs sampling approach
Andreatta, Massimo; Lund, Ole; Nielsen, Morten
2013-01-01
peptide datasets, however, is a complex task, especially when the data contain multiple receptor binding motifs, and/or the motifs are found at different locations within distinct peptides.Results: The algorithm presented in this article, based on Gibbs sampling, identifies multiple specificities...... in peptide data by performing two essential tasks simultaneously: alignment and clustering of peptide data. We apply the method to de-convolute binding motifs in a panel of peptide datasets with different degrees of complexity spanning from the simplest case of pre-aligned fixed-length peptides to cases...... of unaligned peptide datasets of variable length. Example applications described in this article include mixtures of binders to different MHC class I and class II alleles, distinct classes of ligands for SH3 domains and sub-specificities of the HLA-A*02:01 molecule.Availability: The Gibbs clustering method...
Bergeron, H.; Curado, E. M. F.; Gazeau, J. P.; Rodrigues, Ligia M. C. S.
2016-02-01
Asymptotic behavior (with respect to the number of trials) of symmetric generalizations of binomial distributions and their related entropies is studied through three examples. The first one has the q-exponential as the generating function, the second one involves the modified Abel polynomials, and the third one has Hermite polynomials. We prove analytically that the Rényi entropy is extensive for these three cases, i.e., it is proportional (asymptotically) to the number n of events and that q-exponential and Hermite cases have also extensive Boltzmann-Gibbs. The Abel case is exceptional in the sense that its Boltzmann-Gibbs entropy is not extensive and behaves asymptotically as the square root of n. This result is obtained numerically and also confirmed analytically, under reasonable assumptions, by using a regularization of the beta function and its derivative. Probabilistic urn and genetic models are presented for illustrating this remarkable case.
Boltzmann-Gibbs Distribution of Fortune and Broken Time-Reversible Symmetry in Econodynamics
Ao, P
2005-01-01
Within the description of stochastic differential equations it is argued that the existence of Boltzmann-Gibbs type distribution in economy is independent of the time reversal symmetry in econodynamics. Both power law and exponential distributions can be accommodated by it. The demonstration is based on a mathematical structure discovered during a study in gene regulatory network dynamics. Further possible analogy between equilibrium economy and thermodynamics is explored.
Entropy Calculation of Reversible Mixing of Ideal Gases Shows Absence of Gibbs Paradox
Oleg Borodiouk; Vasili Tatarin
1999-01-01
Abstract: We consider the work of reversible mixing of ideal gases using a real process. Now assumptions were made concerning infinite shifts, infinite number of cycles and infinite work to provide an accurate calculation of entropy resulting from reversible mixing of ideal gases. We derived an equation showing the dependence of this entropy on the difference in potential of mixed gases, which is evidence for the absence of Gibbs' paradox.
Entropy Calculation of Reversible Mixing of Ideal Gases Shows Absence of Gibbs Paradox
Oleg Borodiouk
1999-05-01
Full Text Available Abstract: We consider the work of reversible mixing of ideal gases using a real process. Now assumptions were made concerning infinite shifts, infinite number of cycles and infinite work to provide an accurate calculation of entropy resulting from reversible mixing of ideal gases. We derived an equation showing the dependence of this entropy on the difference in potential of mixed gases, which is evidence for the absence of Gibbs' paradox.
Feynman-Kac-type theorems and Gibbs measures on path space
Lörinczi, József; Betz, Volker
2018-01-01
This is the second updated and extended edition of the successful book on Feynman-Kac Theory. It offers a state-of-the-art mathematical account of functional integration methods in the context of self-adjoint operators and semigroups using the concepts and tools of modern stochastic analysis. Thefirst volume concentrates on Feynman-Kac-type formulae and Gibbs measures. In the second volume, these ideas are applied principally to a rigorous treatment of some fundamental models of quantum field theory.
Using New Approaches to obtain Gibbs Measures of Vannimenus model on a Cayley tree
2015-01-01
In this paper, we consider Vannimenus model with competing nearest-neighbors and prolonged next-nearest-neighbors interactions on a Cayley tree. For this model we define Markov random fields with memory of length 2. By using a new approach, we obtain new sets of Gibbs measures of Ising-Vannimenus model on Cayley tree of order 2. We construct the recurrence equations corresponding Ising-Vannimenus model. We prove the Kolmogorov consistency condition. We investigate the translation-invariant an...
Hansen, Thomas Mejer; Mosegaard, Klaus; Cordua, Knud Skou
2010-01-01
Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample the solutions to non-linear inverse problems. In principle these methods allow incorporation of arbitrarily complex a priori information, but current methods allow only relatively simple...... this algorithm with the Metropolis algorithm to obtain an efficient method for sampling posterior probability densities for nonlinear inverse problems....
Gibbs-Thomson Effect in Planar Nanowires: Orientation and Doping Modulated Growth
Shen, Y; Chen, R.; Yu, X.; Wang, Q.; Jungjohann, KL; Dayeh, SA; Wu, T.
2016-01-01
Epitaxy-enabled bottom-up synthesis of self-assembled planar nanowires via the vapor-liquid-solid mechanism is an emerging and promising approach toward large-scale direct integration of nanowire-based devices without postgrowth alignment. Here, by examining large assemblies of indium tin oxide nanowires on yttria-stabilized zirconia substrate, we demonstrate for the first time that the growth dynamics of planar nanowires follows a modified version of the Gibbs-Thomson mechanism, which has be...
Inverse problems with non-trivial priors: efficient solution through sequential Gibbs sampling
Hansen, Thomas Mejer; Cordua, Knud Skou; Mosegaard, Klaus
2012-01-01
Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample solutions to non-linear inverse problems. In principle, these methods allow incorporation of prior information of arbitrary complexity. If an analytical closed form description of the pri...... also reduce the computation time for the inversion dramatically. The method works for any statistical model for which sequential simulation can be used to generate realizations. This applies to most algorithms developed in the geostatistical community.......Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample solutions to non-linear inverse problems. In principle, these methods allow incorporation of prior information of arbitrary complexity. If an analytical closed form description of the prior...... for applying the sequential Gibbs sampler and illustrate how it works. Through two case studies, we demonstrate the application of the method to a linear image restoration problem and to a non-linear cross-borehole inversion problem. We demonstrate how prior information can reduce the complexity of an inverse...
Discovery of a young asteroid cluster associated with P/2012~F5 (Gibbs)
Novakovic, Bojan; Cellino, Alberto; Micheli, Marco; Pedani, Marco
2014-01-01
We present the results of our search for a dynamical family around the active asteroid P/2012F5 (Gibbs). By applying the hierarchical clustering method, we discover an extremely compact 9-body cluster associated with P/2012F5. The statistical significance of this newly discovered Gibbs cluster is estimated to be >99.9%, strongly suggesting that its members share a common origin. The cluster is located in a dynamically cold region of the outer main-belt at a proper semi-major axis of about 3.005 AU, and all members are found to be dynamically stable over very long time-scales. Backward numerical orbital integrations show that the age of the cluster is only 1.5 $\\pm$ 0.1 Myr. Taxonomic classifications are unavailable for most of the cluster members, but SDSS spectrophotometry available for two cluster members indicate that both appear to be $Q$-type objects. We also estimate a lower limit of the size of the parent body to be about 10 km, and find that the impact event which produced the Gibbs cluster is interme...
A Gibbs sampler for Bayesian analysis of site-occupancy data
Dorazio, Robert M.; Rodriguez, Daniel Taylor
2012-01-01
1. A Bayesian analysis of site-occupancy data containing covariates of species occurrence and species detection probabilities is usually completed using Markov chain Monte Carlo methods in conjunction with software programs that can implement those methods for any statistical model, not just site-occupancy models. Although these software programs are quite flexible, considerable experience is often required to specify a model and to initialize the Markov chain so that summaries of the posterior distribution can be estimated efficiently and accurately. 2. As an alternative to these programs, we develop a Gibbs sampler for Bayesian analysis of site-occupancy data that include covariates of species occurrence and species detection probabilities. This Gibbs sampler is based on a class of site-occupancy models in which probabilities of species occurrence and detection are specified as probit-regression functions of site- and survey-specific covariate measurements. 3. To illustrate the Gibbs sampler, we analyse site-occupancy data of the blue hawker, Aeshna cyanea (Odonata, Aeshnidae), a common dragonfly species in Switzerland. Our analysis includes a comparison of results based on Bayesian and classical (non-Bayesian) methods of inference. We also provide code (based on the R software program) for conducting Bayesian and classical analyses of site-occupancy data.
Nan, Ning; Chen, Qi; Wang, Yu; Zhai, Xu; Yang, Chuan-Ce; Cao, Bin; Chong, Tie
2017-10-01
To explore the disturbed molecular functions and pathways in clear cell renal cell carcinoma (ccRCC) using Gibbs sampling. Gene expression data of ccRCC samples and adjacent non-tumor renal tissues were recruited from public available database. Then, molecular functions of expression changed genes in ccRCC were classed to Gene Ontology (GO) project, and these molecular functions were converted into Markov chains. Markov chain Monte Carlo (MCMC) algorithm was implemented to perform posterior inference and identify probability distributions of molecular functions in Gibbs sampling. Differentially expressed molecular functions were selected under posterior value more than 0.95, and genes with the appeared times in differentially expressed molecular functions ≥5 were defined as pivotal genes. Functional analysis was employed to explore the pathways of pivotal genes and their strongly co-regulated genes. In this work, we obtained 396 molecular functions, and 13 of them were differentially expressed. Oxidoreductase activity showed the highest posterior value. Gene composition analysis identified 79 pivotal genes, and survival analysis indicated that these pivotal genes could be used as a strong independent predictor of poor prognosis in patients with ccRCC. Pathway analysis identified one pivotal pathway - oxidative phosphorylation. We identified the differentially expressed molecular functions and pivotal pathway in ccRCC using Gibbs sampling. The results could be considered as potential signatures for early detection and therapy of ccRCC. Copyright © 2017 Elsevier Ltd. All rights reserved.
Maity, Debaprasad
2016-01-01
In this paper we propose two simple minimal Higgs inflation scenarios through a simple modification of the Higgs potential, as opposed to the usual non-minimal Higgs-gravity coupling prescription. The modification is done in such a way that it creates a flat plateau for a huge range of field values at the inflationary energy scale $\\mu \\simeq (\\lambda)^{1/4} \\alpha$. Assuming the perturbative Higgs quartic coupling, $\\lambda \\simeq {\\cal O}(1)$, for both the models inflation energy scale turned out to be $\\mu \\simeq (10^{14}, 10^{15})$ GeV, and prediction of all the cosmologically relevant quantities, $(n_s,r,dn_s^k)$, fit extremely well with observations made by PLANCK. Considering observed central value of the scalar spectral index, $n_s= 0.968$, our two models predict efolding number, $N = (52,47)$. Within a wide range of viable parameter space, we found that the prediction of tensor to scalar ratio $r (\\leq 10^{-5})$ is far below the current experimental sensitivity to be observed in the near future. The ...
DeGrand, Michael J.; Abrams, M. Leigh; Jenkins, Judith L.; Welch, Lawrence E.
2011-01-01
By adding a large quantity of Cl[superscript -] to an aqueous solution of CoCl[subscript 2][multiplied by]6H[subscript 2]O, a mixture containing a red octahedral cobalt complex and a blue tetrahedral complex is produced. When the solution temperature is modified, the equilibrium constant, K[subscript eq], of the complexation reaction is shifted…
Vapor-Liquid Equilibria Using the Gibbs Energy and the Common Tangent Plane Criterion
Olaya, Maria del Mar; Reyes-Labarta, Juan A.; Serrano, Maria Dolores; Marcilla, Antonio
2010-01-01
Phase thermodynamics is often perceived as a difficult subject with which many students never become fully comfortable. The Gibbsian geometrical framework can help students to gain a better understanding of phase equilibria. An exercise to interpret the vapor-liquid equilibrium of a binary azeotropic mixture, using the equilibrium condition based…
A Modified Gibbs Free Energy Minimisation Model for Fluid Bed Coal Gasification
Ściążko Marek
2015-03-01
Full Text Available A modified approach to equilibrium modelling of coal gasification is presented, based on global thermodynamic analysis of both homogeneous and heterogeneous reactions occurring during a gasification process conducted in a circulating fluid bed reactor. The model is based on large-scale experiments (ca. 200 kg/h with air used as a gasification agent and introduces empirical modifications governing the quasi-equilibrium state of two reactions: water-gas shift and Boudouard reaction. The model predicts the formation of the eight key gaseous species: CO, CO2, H2O, H2, H2S, N2, COS and CH4, volatile hydrocarbons represented by propane and benzene, tar represented by naphthalene, and char containing the five elements C, H, O, N, S and inorganic matter.
DeGrand, Michael J.; Abrams, M. Leigh; Jenkins, Judith L.; Welch, Lawrence E.
2011-01-01
By adding a large quantity of Cl[superscript -] to an aqueous solution of CoCl[subscript 2][multiplied by]6H[subscript 2]O, a mixture containing a red octahedral cobalt complex and a blue tetrahedral complex is produced. When the solution temperature is modified, the equilibrium constant, K[subscript eq], of the complexation reaction is shifted…
NONE
1989-11-01
Thirteen papers are presented in volume 3. The seven papers on waste characterization discuss sampling, analysis, and certification techniques for low-level radioactive wastes. Three papers discuss US DOE waste minimization policies and regulations, Y-12 Plant`s reduction of chlorinated solvents, and C-14 removal from spent resins. The last three papers discuss the licensing studies for earth-mounded concrete bunkers for LLW disposal. Papers have been processed separately for inclusion on the data base.
NONE
1989-11-01
Thirteen papers are presented in volume 3. The seven papers on waste characterization discuss sampling, analysis, and certification techniques for low-level radioactive wastes. Three papers discuss US DOE waste minimization policies and regulations, Y-12 Plant`s reduction of chlorinated solvents, and C-14 removal from spent resins. The last three papers discuss the licensing studies for earth-mounded concrete bunkers for LLW disposal. Papers have been processed separately for inclusion on the data base.
Zhang, Minhua; Chen, Lihang; Yang, Huaming; Sha, Xijiang; Ma, Jing
2016-07-01
Gibbs ensemble Monte Carlo simulation with configurational bias was employed to study the vapor-liquid equilibrium (VLE) for pure acetic acid and for a mixture of acetic acid and ethylene. An improved united-atom force field for acetic acid based on a Lennard-Jones functional form was proposed. The Lennard-Jones well depth and size parameters for the carboxyl oxygen and hydroxyl oxygen were determined by fitting the interaction energies of acetic acid dimers to the Lennard-Jones potential function. Four different acetic acid dimers and the proportions of them were considered when the force field was optimized. It was found that the new optimized force field provides a reasonable description of the vapor-liquid phase equilibrium for pure acetic acid and for the mixture of acetic acid and ethylene. Accurate values were obtained for the saturated liquid density of the pure compound (average deviation: 0.84 %) and for the critical points. The new optimized force field demonstrated greater accuracy and reliability in calculations of the solubility of the mixture of acetic acid and ethylene as compared with the results obtained with the original TraPPE-UA force field.
Suwono, A.; Indartono, Y. S.; Irsyad, M.; Al-Afkar, I. C.
2015-09-01
One way to resolve the energy problem is to increase the efficiency of energy use. Air conditioning system is one of the equipment that needs to be considered, because it is the biggest energy user in commercial building sector. Research currently developing is the use of phase change materials (PCM) as thermal energy storage (TES) in the air conditioning system to reduce energy consumption. Salt hydrates have been great potential to be developed because they have been high latent heat and thermal conductivity. This study has used a salt hydrate from calcium chloride to be tested in air conditioning systems type chiller. Thermal characteristics were examined using temperature history (T-history) test and differential scanning calorimetry (DSC). The test results showed that the thermal characteristics of the salt hydrate has been a high latent heat and in accordance with the evaporator temperature. The use of salt hydrates in air conditioning system type chiller can reduce energy consumption by 51.5%.
Fabbrichesi, Marco
2015-01-01
We show how the Higgs boson mass is protected from the potentially large corrections due to the introduction of minimal dark matter if the new physics sector is made supersymmetric. The fermionic dark matter candidate (a 5-plet of $SU(2)_L$) is accompanied by a scalar state. The weak gauge sector is made supersymmetric and the Higgs boson is embedded in a supersymmetric multiplet. The remaining standard model states are non-supersymmetric. Non vanishing corrections to the Higgs boson mass only appear at three-loop level and the model is natural for dark matter masses up to 15 TeV--a value larger than the one required by the cosmological relic density. The construction presented stands as an example of a general approach to naturalness that solves the little hierarchy problem which arises when new physics is added beyond the standard model at an energy scale around 10 TeV.
Marinsky, J.A.; Reddy, M.M.
1991-01-01
Earlier research has shown that the acid dissociation and metal ion complexation equilibria of linear, weak-acid polyelectrolytes and their cross-linked gel analogues are similarly sensitive to the counterion concentration levels of their solutions. Gibbs-Donnan-based concepts, applicable to the gel, are equally applicable to the linear polyelectrolyte for the accommodation of this sensitivity to ionic strength. This result is presumed to indicate that the linear polyelectrolyte in solution develops counterion-concentrating regions that closely resemble the gel phase of their analogues. Advantage has been taken of this description of linear polyelectrolytes to estimate the solvent uptake by these regions. ?? 1991 American Chemical Society.
Wouters, B; De Nardis, J; Brockmann, M; Fioretto, D; Rigol, M; Caux, J-S
2014-09-12
We study quenches in integrable spin-1/2 chains in which we evolve the ground state of the antiferromagnetic Ising model with the anisotropic Heisenberg Hamiltonian. For this nontrivially interacting situation, an application of the first-principles-based quench-action method allows us to give an exact description of the postquench steady state in the thermodynamic limit. We show that a generalized Gibbs ensemble, implemented using all known local conserved charges, fails to reproduce the exact quench-action steady state and to correctly predict postquench equilibrium expectation values of physical observables. This is supported by numerical linked-cluster calculations within the diagonal ensemble in the thermodynamic limit.
LA CASA GIBBS Y EL MONOPOLIO SALITRERO PERUANO: 1876-1878
Manuel Ravest Mora
2008-06-01
Full Text Available El objeto de este breve trabajo es mostrar la disposición de Anthony Gibbs & Sons, y de sus filiales, a apoyar el proyecto monopólico salitrero del Perú con recursos monetarios y los manejos de sus directores en la única empresa que, dada su capacidad de elaboración, podía hacerlo fracasar: la Compañía de Salitres y Ferrocarril de Antofagasta, de la que Gibbs era el segundo mayor accionista. Para el gobierno chileno la causa primaria de la guerra de 1879 fue el intento del Perú por monopolizar la producción salitrera. Bolivia, su aliada secreta desde 1873, colaboró arrendándole y vendiéndole sus depósitos de nitrato, e imponiendo a la exportación del salitre un tributo que infringió la condición -estipulada en un Tratado de Límites- bajo la cual Chile le cedió territorio. Su recuperación manu militari inició el conflicto. A partir de la segunda mitad del siglo pasado esta tesis economicista-legalista fue cuestionada en Chile y en el exterior, desplazando el acento causal al reordenamiento de los mercados de materias primas -de las que los beligerantes eran exportadores- a consecuencia de la crisis mundial de la década de 1870.This brief study aims at showing Anthony Gibbs & Sons disposition in supporting the Peruvian monopolistic nitrate project with monetary resources and its Director's influences in the only company which, due its production's capacity, could make the project fail: the Chilean Antofagasta Nitrate and Railway Co. in which Gibbs was the second most important stockholder. According to Chilean government the primary cause of 1879's war was Peru's attempt to monopolize nitrate production. Bolivia, its secret allied since 1873, helped renting and selling him her nitrate fields and imposing a tax on the nitrate exports of the Chilean company in Antofagasta, thus violating the condition stated in a Border Treaty by which Chile had ceded territory. Its recovery through the use of military forcé was the first act
The Gibbs paradox, Black hole entropy and the thermodynamics of isolated horizons
Pithis, Andreas G A
2012-01-01
This letter presents a new argument for considering the states of the quantum isolated horizon as distinguishable. It is claimed that only if the states are distinguishable, the entropy is an extensive quantity and can be well-defined. To show this, the comparison with a classical ideal gas system is explicitly given, whose statistical description makes only sense, if an additional 1/N! is included in the state counting, curing the Gibbs paradox. The difference with the statistical description of a quantum isolated horizon is elaborated, to make the claim evident. This letter is a product of the author's diploma thesis.
Zoeal morphology of Pachygrapsus transversus (Gibbes (Decapoda, Grapsidae reared in the laboratory
Ana Luiza Brossi-Garcia
1997-12-01
Full Text Available Ovigerous females of Pachygrapsus transversus (Gibbes, 1850 were collected on the Praia Dura and Saco da Ribeira beaches, Ubatuba, São Paulo, Brazil. Larvae were individually reared in a climatic room at 25ºC temperature, salinities of 28, 32 and 35‰ and under natural photoperiod conditions. The best rearing results were observed at 35%o salinity. Seven zoeal instars were observed, drawing and described in detail. The data are compared with those obtained for P. gracilis (Saussure, 1858.
PeGS: Perturbed Gibbs Samplers that Generate Privacy-Compliant Synthetic Data
Yubin Park
2014-12-01
Full Text Available This paper proposes a categorical data synthesizer algorithm that guarantees a quantifiable disclosure risk. Our algorithm, named Perturbed Gibbs Sampler (PeGS, can handle high-dimensional categorical data that are intractable if represented as contingency tables. PeGS involves three intuitive steps: 1 disintegration, 2 noise injection, and 3 synthesis. We first disintegrate the original data into building blocks that (approximately capture essential statistical characteristics of the original data. This process is efficiently implemented using feature hashing and non-parametric distribution approximation. In the next step, an optimal amount of noise is injected into the estimated statistical building blocks to guarantee differential privacy or l-diversity. Finally, synthetic samples are drawn using a Gibbs sampler approach. California Patient Discharge data are used to demonstrate statistical properties of the proposed synthetic methodology. Marginal and conditional distributions as well as regression coefficients obtained from the synthesized data are compared to those obtained from the original data. Intruder scenarios are simulated to evaluate disclosure risks of the synthesized data from multiple angles. Limitations and extensions of the proposed algorithm are also discussed.
Sovilj P.
2014-10-01
Full Text Available Measurement methods, based on the approach named Digital Stochastic Measurement, have been introduced, and several prototype and small-series commercial instruments have been developed based on these methods. These methods have been mostly investigated for various types of stationary signals, but also for non-stationary signals. This paper presents, analyzes and discusses digital stochastic measurement of electroencephalography (EEG signal in the time domain, emphasizing the problem of influence of the Wilbraham-Gibbs phenomenon. The increase of measurement error, related to the Wilbraham-Gibbs phenomenon, is found. If the EEG signal is measured and measurement interval is 20 ms wide, the average maximal error relative to the range of input signal is 16.84 %. If the measurement interval is extended to 2s, the average maximal error relative to the range of input signal is significantly lowered - down to 1.37 %. Absolute errors are compared with the error limit recommended by Organisation Internationale de Métrologie Légale (OIML and with the quantization steps of the advanced EEG instruments with 24-bit A/D conversion
Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles
Du, Shouhong
2012-05-01
This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.
Madsen Per
2003-03-01
Full Text Available Abstract A fully Bayesian analysis using Gibbs sampling and data augmentation in a multivariate model of Gaussian, right censored, and grouped Gaussian traits is described. The grouped Gaussian traits are either ordered categorical traits (with more than two categories or binary traits, where the grouping is determined via thresholds on the underlying Gaussian scale, the liability scale. Allowances are made for unequal models, unknown covariance matrices and missing data. Having outlined the theory, strategies for implementation are reviewed. These include joint sampling of location parameters; efficient sampling from the fully conditional posterior distribution of augmented data, a multivariate truncated normal distribution; and sampling from the conditional inverse Wishart distribution, the fully conditional posterior distribution of the residual covariance matrix. Finally, a simulated dataset was analysed to illustrate the methodology. This paper concentrates on a model where residuals associated with liabilities of the binary traits are assumed to be independent. A Bayesian analysis using Gibbs sampling is outlined for the model where this assumption is relaxed.
Characterization of Active Main Belt Object P/2012 F5 (Gibbs): A Possible Impacted Asteroid
Stevenson, R; Bauer, J M; Masiero, J R; Mainzer, A K
2012-01-01
In this work we characterize the recently discovered active main belt object P/2012 F5 (Gibbs), which was discovered with a dust trail > 7' in length in the outer main belt, 7 months prior to aphelion. We use optical imaging obtained on UT 2012 March 27 to analyze the central condensation and the long trail. We find nuclear B-band and R-band apparent magnitudes of 20.96 and 19.93 mag, respectively, which give an upper limit on the radius of the nucleus of 2.1 km. The geometric cross-section of material in the trail was ~ 4 x 10^8 m^2, corresponding to a dust mass of ~ 5 x 10^7 kg. Analysis of infrared images taken by the Wide-Field Infrared Survey Explorer in September 2010 reveals that the object was below the detection limit, suggesting that it was less active than it was during 2012, or possibly inactive, just 6 months after it passed through perihelion. We set a 1-sigma upper limit on its radius during this time of 2.9 km. P/2012 F5 (Gibbs) is dynamically stable in the outer main belt on timescales of ~ 1...
Korsgaard, Inge Riis; Lund, Mogens Sandø; Sorensen, Daniel; Gianola, Daniel; Madsen, Per; Jensen, Just
2003-01-01
A fully Bayesian analysis using Gibbs sampling and data augmentation in a multivariate model of Gaussian, right censored, and grouped Gaussian traits is described. The grouped Gaussian traits are either ordered categorical traits (with more than two categories) or binary traits, where the grouping is determined via thresholds on the underlying Gaussian scale, the liability scale. Allowances are made for unequal models, unknown covariance matrices and missing data. Having outlined the theory, strategies for implementation are reviewed. These include joint sampling of location parameters; efficient sampling from the fully conditional posterior distribution of augmented data, a multivariate truncated normal distribution; and sampling from the conditional inverse Wishart distribution, the fully conditional posterior distribution of the residual covariance matrix. Finally, a simulated dataset was analysed to illustrate the methodology. This paper concentrates on a model where residuals associated with liabilities of the binary traits are assumed to be independent. A Bayesian analysis using Gibbs sampling is outlined for the model where this assumption is relaxed.
Xuhua Xia
2012-01-01
Full Text Available Position weight matrix (PWM is not only one of the most widely used bioinformatic methods, but also a key component in more advanced computational algorithms (e.g., Gibbs sampler for characterizing and discovering motifs in nucleotide or amino acid sequences. However, few generally applicable statistical tests are available for evaluating the significance of site patterns, PWM, and PWM scores (PWMS of putative motifs. Statistical significance tests of the PWM output, that is, site-specific frequencies, PWM itself, and PWMS, are in disparate sources and have never been collected in a single paper, with the consequence that many implementations of PWM do not include any significance test. Here I review PWM-based methods used in motif characterization and prediction (including a detailed illustration of the Gibbs sampler for de novo motif discovery, present statistical and probabilistic rationales behind statistical significance tests relevant to PWM, and illustrate their application with real data. The multiple comparison problem associated with the test of site-specific frequencies is best handled by false discovery rate methods. The test of PWM, due to the use of pseudocounts, is best done by resampling methods. The test of individual PWMS for each sequence segment should be based on the extreme value distribution.
Energy and exergy analyses of a biomass-based hydrogen production system.
Cohce, M K; Dincer, I; Rosen, M A
2011-09-01
In this paper, a novel biomass-based hydrogen production plant is investigated. The system uses oil palm shell as a feedstock. The main plant processes are biomass gasification, steam methane reforming and shift reaction. The modeling of the gasifier uses the Gibbs free energy minimization approach and chemical equilibrium considerations. The plant, with modifications, is simulated and analyzed thermodynamically using the Aspen Plus process simulation code (version 11.1). Exergy analysis, a useful tool for understanding and improving efficiency, is used throughout the investigation, in addition to energy analysis. The overall performance of the system is evaluated, and its efficiencies become 19% for exergy efficiency and 22% energy efficiency while the gasifier cold gas efficiency is 18%.
Increasingly minimal bias routing
Bataineh, Abdulla; Court, Thomas; Roweth, Duncan
2017-02-21
A system and algorithm configured to generate diversity at the traffic source so that packets are uniformly distributed over all of the available paths, but to increase the likelihood of taking a minimal path with each hop the packet takes. This is achieved by configuring routing biases so as to prefer non-minimal paths at the injection point, but increasingly prefer minimal paths as the packet proceeds, referred to herein as Increasing Minimal Bias (IMB).
Logarithmic superconformal minimal models
Pearce, Paul A.; Rasmussen, Jørgen; Tartaglia, Elena
2014-05-01
The higher fusion level logarithmic minimal models {\\cal LM}(P,P';n) have recently been constructed as the diagonal GKO cosets {(A_1^{(1)})_k\\oplus (A_1^ {(1)})_n}/ {(A_1^{(1)})_{k+n}} where n ≥ 1 is an integer fusion level and k = nP/(P‧- P) - 2 is a fractional level. For n = 1, these are the well-studied logarithmic minimal models {\\cal LM}(P,P')\\equiv {\\cal LM}(P,P';1). For n ≥ 2, we argue that these critical theories are realized on the lattice by n × n fusion of the n = 1 models. We study the critical fused lattice models {\\cal LM}(p,p')_{n\\times n} within a lattice approach and focus our study on the n = 2 models. We call these logarithmic superconformal minimal models {\\cal LSM}(p,p')\\equiv {\\cal LM}(P,P';2) where P = |2p - p‧|, P‧ = p‧ and p, p‧ are coprime. These models share the central charges c=c^{P,P';2}=\\frac {3}{2}\\big (1-{2(P'-P)^2}/{P P'}\\big ) of the rational superconformal minimal models {\\cal SM}(P,P'). Lattice realizations of these theories are constructed by fusing 2 × 2 blocks of the elementary face operators of the n = 1 logarithmic minimal models {\\cal LM}(p,p'). Algebraically, this entails the fused planar Temperley-Lieb algebra which is a spin-1 Birman-Murakami-Wenzl tangle algebra with loop fugacity β2 = [x]3 = x2 + 1 + x-2 and twist ω = x4 where x = eiλ and λ = (p‧- p)π/p‧. The first two members of this n = 2 series are superconformal dense polymers {\\cal LSM}(2,3) with c=-\\frac {5}{2}, β2 = 0 and superconformal percolation {\\cal LSM}(3,4) with c = 0, β2 = 1. We calculate the bulk and boundary free energies analytically. By numerically studying finite-size conformal spectra on the strip with appropriate boundary conditions, we argue that, in the continuum scaling limit, these lattice models are associated with the logarithmic superconformal models {\\cal LM}(P,P';2). For system size N, we propose finitized Kac character formulae of the form q^{-{c^{P,P';2}}/{24}+\\Delta ^{P,P';2} _{r
Thiyagarajan, P; Ponnuswamy, P K
1981-09-01
Following the procedure described in the preceding article, the low energy conformations located for the four dimeric subunits of RNA, ApG, ApU, CpG, and CpU are presented. The A-RNA type and Watson-Crick type helical conformations and a number of different kinds of loop promoting ones were identified as low energy in all the units. The 3E-3E and 3E-2E pucker sequences are found to be more or less equally preferred; the 2E-2E sequence is occasionally preferred, while the 2E-3E is highly prohibited in all the units. A conformation similar to the one observed in the drug-dinucleoside monophosphate complex crystals becomes a low energy case only for the CpG unit. The low energy conformations obtained for the four model units were used to assess the stability of the conformational states of the dinucleotide segments in the four crystal models of the tRNAPhe molecule. Information on the occurrence of the less preferred sugar-pucker sequences in the various loop regions in the tRNAPhe molecule has been obtained. A detailed comparison of the conformational characteristics of DNA and RNA subunits at the dimeric level is presented on the basis of the results.
US Fish and Wildlife Service, Department of the Interior — In 2012, the U.S. Department of the Interior (DOI) and U.S. Department of Energy (DOE) designated approximately 6600 ha (16,308 ac) of Bureau of Land Management...
US Fish and Wildlife Service, Department of the Interior — In 2012, the U.S. Department of the Interior (DOI) and U.S. Department of Energy (DOE) designated approximately 6600 ha (16,308 ac) of Bureau of Land Management...
Energy-based models for environmental biotechnology.
Rodríguez, Jorge; Lema, Juan M; Kleerebezem, Robbert
2008-07-01
Environmental biotechnology is evolving. Current process objectives include the production of chemicals and/or energy carriers (biofuels) in addition to the traditional objective of removing pollutants from waste. To maximise product yields and minimise biomass production, future processes will rely on anaerobic microbial communities. Anaerobic processes are characterised by small Gibbs energy changes in the reactions catalysed, and this provides clear thermodynamic process boundaries. Here, a Gibbs-energy-based methodology is proposed for mathematical modelling of energy-limited anaerobic ecosystems. This methodology provides a basis for the description of microbial activities as a function of environmental factors, which will allow enhanced catalysis of specific reactions of interest for process development.
Numerical analysis of the Gibbs-Thomson effect on trench-filling epitaxial growth of 4H-SiC
Mochizuki, Kazuhiro; Ji, Shiyang; Kosugi, Ryoji; Kojima, Kazutoshi; Yonezawa, Yoshiyuki; Okumura, Hajime
2016-03-01
A steady-state two-dimensional diffusion equation was numerically analyzed to examine the rate of homoepitaxial growth on a trenched 4H-SiC substrate. The radii of curvature at the top and bottom of the trenches were used to take the Gibbs-Thomson effect into account in the analysis based on the conventional boundary-layer model. When the trench pitch was less than or equal to 6.0 µm, the measured dependence of the growth rate on the trench pitch was found to be explained by the Gibbs-Thomson effect on the vapor-phase diffusion of growing species.
Energy Analysis in Combined Reforming of Propane
K. Moon
2013-01-01
Full Text Available Combined (steam and CO2 reforming is one of the methods to produce syngas for different applications. An energy requirement analysis of steam reforming to dry reforming with intermediate steps of steam reduction and equivalent CO2 addition to the feed fuel for syngas generation has been done to identify condition for optimum process operation. Thermodynamic equilibrium data for combined reforming was generated for temperature range of 400–1000°C at 1 bar pressure and combined oxidant (CO2 + H2O stream to propane (fuel ratio of 3, 6, and 9 by employing the Gibbs free energy minimization algorithm of HSC Chemistry software 5.1. Total energy requirement including preheating and reaction enthalpy calculations were done using the equilibrium product composition. Carbon and methane formation was significantly reduced in combined reforming than pure dry reforming, while the energy requirements were lower than pure steam reforming. Temperatures of minimum energy requirement were found in the data analysis of combined reforming which were optimum for the process.
Chaeyoung Lee
2012-11-01
Full Text Available Epistasis that may explain a large portion of the phenotypic variation for complex economic traits of animals has been ignored in many genetic association studies. A Baysian method was introduced to draw inferences about multilocus genotypic effects based on their marginal posterior distributions by a Gibbs sampler. A simulation study was conducted to provide statistical powers under various unbalanced designs by using this method. Data were simulated by combined designs of number of loci, within genotype variance, and sample size in unbalanced designs with or without null combined genotype cells. Mean empirical statistical power was estimated for testing posterior mean estimate of combined genotype effect. A practical example for obtaining empirical statistical power estimates with a given sample size was provided under unbalanced designs. The empirical statistical powers would be useful for determining an optimal design when interactive associations of multiple loci with complex phenotypes were examined.
The Gibbs paradox and the physical criteria for indistinguishability of identical particles
Unnikrishnan, C. S.
2016-08-01
Gibbs paradox in the context of statistical mechanics addresses the issue of additivity of entropy of mixing gases. The usual discussion attributes the paradoxical situation to classical distinguishability of identical particles and credits quantum theory for enabling indistinguishability of identical particles to solve the problem. We argue that indistinguishability of identical particles is already a feature in classical mechanics and this is clearly brought out when the problem is treated in the language of information and associated entropy. We pinpoint the physical criteria for indistinguishability that is crucial for the treatment of the Gibbs’ problem and the consistency of its solution with conventional thermodynamics. Quantum mechanics provides a quantitative criterion, not possible in the classical picture, for the degree of indistinguishability in terms of visibility of quantum interference, or overlap of the states as pointed out by von Neumann, thereby endowing the entropy expression with mathematical continuity and physical reasonableness.
Distance expanding random mappings, thermodynamical formalism, Gibbs measures and fractal geometry
Mayer, Volker; Skorulski, Bartlomiej
2011-01-01
The theory of random dynamical systems originated from stochastic differential equations. It is intended to provide a framework and techniques to describe and analyze the evolution of dynamical systems when the input and output data are known only approximately, according to some probability distribution. The development of this field, in both the theory and applications, has gone in many directions. In this manuscript we introduce measurable expanding random dynamical systems, develop the thermodynamical formalism and establish, in particular, the exponential decay of correlations and analyticity of the expected pressure although the spectral gap property does not hold. This theory is then used to investigate fractal properties of conformal random systems. We prove a Bowen’s formula and develop the multifractal formalism of the Gibbs states. Depending on the behavior of the Birkhoff sums of the pressure function we arrive at a natural classification of the systems into two classes: quasi-deterministic syst...
Ergodic time-reversible chaos for Gibbs' canonical oscillator
Hoover, William Graham, E-mail: hooverwilliam@yahoo.com [Ruby Valley Research Institute, Highway Contract 60, Box 601, Ruby Valley, NV 89833 (United States); Sprott, Julien Clinton [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Patra, Puneet Kumar [Advanced Technology Development Center, Department of Civil Engineering, Indian Institute of Technology, Kharagpur, West Bengal, 721302 (India)
2015-12-04
Nosé's pioneering 1984 work inspired a variety of time-reversible deterministic thermostats. Though several groups have developed successful doubly-thermostated models, single-thermostat models have failed to generate Gibbs' canonical distribution for the one-dimensional harmonic oscillator. A 2001 doubly-thermostated model, claimed to be ergodic, has a singly-thermostated version. Though neither of these models is ergodic this work has suggested a successful route toward singly-thermostated ergodicity. We illustrate both ergodicity and its lack for these models using phase-space cross sections and Lyapunov instability as diagnostic tools. - Highlights: • We develop cross-section and Lyapunov methods for diagnosing ergodicity. • We apply these methods to several thermostatted-oscillator problems. • We demonstrate the nonergodicity of previous work. • We find a novel family of ergodic thermostatted-oscillator problems.
A course on large deviations with an introduction to Gibbs measures
Rassoul-Agha, Firas
2015-01-01
This is an introductory course on the methods of computing asymptotics of probabilities of rare events: the theory of large deviations. The book combines large deviation theory with basic statistical mechanics, namely Gibbs measures with their variational characterization and the phase transition of the Ising model, in a text intended for a one semester or quarter course. The book begins with a straightforward approach to the key ideas and results of large deviation theory in the context of independent identically distributed random variables. This includes Cramér's theorem, relative entropy, Sanov's theorem, process level large deviations, convex duality, and change of measure arguments. Dependence is introduced through the interactions potentials of equilibrium statistical mechanics. The phase transition of the Ising model is proved in two different ways: first in the classical way with the Peierls argument, Dobrushin's uniqueness condition, and correlation inequalities and then a second time through the ...
Manca, Fabio; Giordano, Stefano; Palla, Pier Luca; Zucca, Rinaldo; Cleri, Fabrizio; Colombo, Luciano
2012-04-21
Stretching experiments on single molecules of arbitrary length opened the way for studying the statistical mechanics of small systems. In many cases in which the thermodynamic limit is not satisfied, different macroscopic boundary conditions, corresponding to different statistical mechanics ensembles, yield different force-displacement curves. We formulate analytical expressions and develop Monte Carlo simulations to quantitatively evaluate the difference between the Helmholtz and the Gibbs ensembles for a wide range of polymer models of biological relevance. We consider generalizations of the freely jointed chain and of the worm-like chain models with extensible bonds. In all cases we show that the convergence to the thermodynamic limit upon increasing contour length is described by a suitable power law and a specific scaling exponent, characteristic of each model.
Stabilization of needle-crystals by the Gibbs-Thomson effect
Pillet, C.-A.
1991-09-01
We develop a scheme based on pseudo-differential operators to analyze the propagation of excitations in inhomogeneous extended systems. This method is used in a very specific situation, however we think that it has some generality and should apply to various other problems of current interest. We study the well known two-dimensional symmetric model of solidification introduced by Langer and Turski. Assuming the existence of Ivantsov-like steady-state solutions, we calculate their excitation spectrum. We show that there are no unstable propagating modes if the Gibbs-Thomson effect is taken into account. This proves that the growth of needle-crystals is stable with respect to side-branching.
The Stumbling Block of the Gibbs Entropy: the Reality of the Negative Absolute Temperatures
Anghel Dragoş-Victor
2016-01-01
Full Text Available The second Tisza-Callen postulate of equilibrium thermodynamics states that for any system there exists a function of the system extensive parameters, called entropy, defined for all equilibrium states and having the property that the values assumed by the extensive parameters in the absence of a constraint are those that maximize the entropy over the manifold of constrained equilibrium states. Based on the thermodynamic evolution of systems which (in the Boltzmann description have positive and negative temperatures, we show that this postulate is satisfied by the Boltzmann formula for the entropy and may be violated by the Gibbs formula, therefore invalidating the later. Vice versa, if we assume, by reductio ad absurdum, that for some thermodynamic systems the equilibrium state is determined by the Gibbs’ prescription and not by Boltzmann’s, this implies that such systems have macroscopic fluctuations and therefore do not reach the thermodynamic equilibrium.
Higher-order wavelet reconstruction/differentiation filters and Gibbs phenomena
Lombardini, Richard; Acevedo, Ramiro; Kuczala, Alexander; Keys, Kerry P.; Goodrich, Carl P.; Johnson, Bruce R.
2016-01-01
An orthogonal wavelet basis is characterized by its approximation order, which relates to the ability of the basis to represent general smooth functions on a given scale. It is known, though perhaps not widely known, that there are ways of exceeding the approximation order, i.e., achieving higher-order error in the discretized wavelet transform and its inverse. The focus here is on the development of a practical formulation to accomplish this first for 1D smooth functions, then for 1D functions with discontinuities and then for multidimensional (here 2D) functions with discontinuities. It is shown how to transcend both the wavelet approximation order and the 2D Gibbs phenomenon in representing electromagnetic fields at discontinuous dielectric interfaces that do not simply follow the wavelet-basis grid.
Locally minimal topological groups
Außenhofer, Lydia; Chasco, María Jesús; Dikranjan, Dikran; Domínguez, Xabier
2009-01-01
A Hausdorff topological group $(G,\\tau)$ is called locally minimal if there exists a neighborhood $U$ of 0 in $\\tau$ such that $U$ fails to be a neighborhood of zero in any Hausdorff group topology on $G$ which is strictly coarser than $\\tau.$ Examples of locally minimal groups are all subgroups of Banach-Lie groups, all locally compact groups and all minimal groups. Motivated by the fact that locally compact NSS groups are Lie groups, we study the connection between local minimality and the ...
Global minimizers of coexistence for competing species
2010-01-01
A class of variational models describing ecological systems of k species competing for the same resources is investigated. The occurrence of coexistence in minimal energy solutions is discussed and positive results are proven for suitably differentiated internal dynamics.
Hoijtink, H; Molenaar, IW
1997-01-01
In this paper it will be shown that a certain class of constrained latent class models may be interpreted as a special case of nonparametric multidimensional item response models. The parameters of this latent class model will be estimated using an application of the Gibbs sampler. It will be illust
Biomass as an energy source: thermodynamic constraints on the performance of the conversion process.
Baratieri, M; Baggio, P; Fiori, L; Grigiante, M
2008-10-01
In the present work an equilibrium model (gas-solid), based on the minimization of the Gibbs energy, has been used in order to estimate the theoretical yield and the equilibrium composition of the reaction products (syngas and char) of biomass thermochemical conversion processes (pyrolysis and gasification). The data obtained from this model have also been used to calculate the heating value of the fuel gas, in order to evaluate the overall energy efficiency of the thermal conversion stage. The proposed model has been applied both to partial oxidation and steam gasification processes with varying air to biomass (ER) and steam to carbon (SC) ratio values and using different feedstocks; the obtained results have been compared with experimental data and with other model predictions obtaining a satisfactory agreement.
Energy-saving and pollution-minimization continuous dyeing processes%印染厂连续染整节能减排工艺
马学亚; 冯森
2011-01-01
In order to save water and energy and reduce emissions, a senes of short processes are developed.Pretreatment processes include low alkali desizing and scouring and peroxide bleaching process, enzyme desizing and scouring and peroxide bleaching process, as well as peroxide desizing and scouring and peroxide bleaching process.Dyeing processes include saltfree continuous pad-steam process with reactive dyes, pad dyeing of cotton fabric with pigments, pad dyeing of polyester/cotton fabric with disperse dyes and pigmentS in one bath, as well as pad dyeing of polyester/cotton fabric in pale shade with disperse dyes.Water/oil/stain proofing and anti-static finishing in one bath is also introduced.%为了降低水耗和能耗,减少排污,开发了一系列短流程工艺,前处理包括低碱退煮氧漂、酶退煮氧漂和氧退煮氧漂工艺;染色包括活性染料无盐轧蒸工艺、纯棉涂料轧染、涤棉分散/涂料一浴轧染和浅色涤棉单分散轧染工艺;整理包括抗静电三防同浴工艺.
Abdollahi, A.; Han, X.; Avvari, G. V.; Raghunathan, N.; Balasingam, B.; Pattipati, K. R.; Bar-Shalom, Y.
2016-01-01
In this paper we present a closed-form solution to the problem of optimally charging a Li-ion battery. A combination of three cost functions is considered as the objective function: time-to-charge (TTC), energy losses (EL), and a temperature rise index (TRI). First, we consider the cost function of the optimization problem as a weighted sum of TTC and EL. We show that the optimal charging strategy in this case is the well-known Constant Current-Constant Voltage (CC-CV) policy with the value of the current in the CC stage being a function of the ratio of weighting on TTC and EL and of the resistance of the battery. Then, we extend the cost function to a weighted sum of TTC, EL and TRI and derive an analytical solution for the problem. It is shown that the analytical solution can be approximated by a CC-CV with the value of current in the CC stage being a function of ratio of weighting on TTC and EL, resistance of the battery and the effective thermal resistance.
Khimshiashvili, G.; Siersma, D.
2001-01-01
We describe the structure of minimal round functions on closed surfaces and three-folds. The minimal possible number of critical loops is determined and typical non-equisingular round function germs are interpreted in the spirit of isolated line singularities. We also discuss a version of Lusternik-
Papegay, Bérengère; Stadler, Michaela; Nuyens, Vincent; Kruys, Véronique; Boogaerts, Jean G; Vamecq, Joseph
2017-03-01
Dietary restriction or reduced food intake was supported to protect against renal and hepatic ischemic injury. In this vein, short fasting was recently shown to protect in situ rat liver against ischemia-reperfusion. Here, perfused ex vivo instead of in situ livers were exposed to ischemia-reperfusion to study the impact of disconnecting liver from extrahepatic supply in energetic substrates on the protection given by short-term fasting. Perfused ex vivo livers using short (18 h) fasted compared with fed rats were submitted to ischemia-reperfusion and studied for release of cytolysis markers in the perfusate. Energetic stores are differently available in time and cell energetic charges (ratio of adenosine triphosphate plus half of the adenosine diphosphate concentrations to the sum of adenosine triphosphate + adenosine diphosphate + adenosine monophosphate concentrations), adenosine phosphates, and glycogen, which were further measured at different time points in livers. Short fasting versus feeding failed to protect perfused ex vivo rat livers against ischemia/reperfusion, increasing the release of cytolysis markers (potassium, cytochrome c, aspartate aminotransferase, alanine aminotransferase, and lactate dehydrogenase) in the perfusate during reoxygenation phase. Toxicity of short fasting versus feeding was associated with lower glycogen and energetic charges in livers and lower lactate levels in the perfusate. High energetic charge, intracellular content in glycogen, and glycolytic activity may protect liver against ischemia/reperfusion injury. This work does not question how much the protective role previously demonstrated in the literature for dietary restriction and short fasting. In fact, it suggests that exceeding the energy charge threshold value of 0.3 might trigger the effectiveness of this protective role. Copyright © 2016 Elsevier Inc. All rights reserved.
Principle of minimal work fluctuations.
Xiao, Gaoyang; Gong, Jiangbin
2015-08-01
Understanding and manipulating work fluctuations in microscale and nanoscale systems are of both fundamental and practical interest. For example, in considering the Jarzynski equality 〈e-βW〉=e-βΔF, a change in the fluctuations of e-βW may impact how rapidly the statistical average of e-βW converges towards the theoretical value e-βΔF, where W is the work, β is the inverse temperature, and ΔF is the free energy difference between two equilibrium states. Motivated by our previous study aiming at the suppression of work fluctuations, here we obtain a principle of minimal work fluctuations. In brief, adiabatic processes as treated in quantum and classical adiabatic theorems yield the minimal fluctuations in e-βW. In the quantum domain, if a system initially prepared at thermal equilibrium is subjected to a work protocol but isolated from a bath during the time evolution, then a quantum adiabatic process without energy level crossing (or an assisted adiabatic process reaching the same final states as in a conventional adiabatic process) yields the minimal fluctuations in e-βW, where W is the quantum work defined by two energy measurements at the beginning and at the end of the process. In the classical domain where the classical work protocol is realizable by an adiabatic process, then the classical adiabatic process also yields the minimal fluctuations in e-βW. Numerical experiments based on a Landau-Zener process confirm our theory in the quantum domain, and our theory in the classical domain explains our previous numerical findings regarding the suppression of classical work fluctuations [G. Y. Xiao and J. B. Gong, Phys. Rev. E 90, 052132 (2014)].
A Minimally Symmetric Higgs Boson
Low, Ian
2014-01-01
Models addressing the naturalness of a light Higgs boson typically employ symmetries, either bosonic or fermionic, to stabilize the Higgs mass. We consider a setup with the minimal amount of symmetries: four shift symmetries acting on the four components of the Higgs doublet, subject to the constraints of linearly realized SU(2)xU(1) electroweak symmetry. Up to terms that explicitly violate the shift symmetries, the effective lagrangian can be derived, irrespective of the spontaneously broken group G in the ultraviolet, and is universal in all models where the Higgs arises as a pseudo-Nambu-Goldstone boson (PNGB). Very high energy scatterings of vector bosons could provide smoking gun signals of a minimally symmetric Higgs boson.
... get worse You develop new symptoms, including side effects from the medicines used to treat the disorder Alternative Names Minimal change nephrotic syndrome; Nil disease; Lipoid nephrosis; Idiopathic nephrotic syndrome of childhood Images ...
Peyton, B.W.
1999-07-01
When minimum orderings proved too difficult to deal with, Rose, Tarjan, and Leuker instead studied minimal orderings and how to compute them (Algorithmic aspects of vertex elimination on graphs, SIAM J. Comput., 5:266-283, 1976). This paper introduces an algorithm that is capable of computing much better minimal orderings much more efficiently than the algorithm in Rose et al. The new insight is a way to use certain structures and concepts from modern sparse Cholesky solvers to re-express one of the basic results in Rose et al. The new algorithm begins with any initial ordering and then refines it until a minimal ordering is obtained. it is simple to obtain high-quality low-cost minimal orderings by using fill-reducing heuristic orderings as initial orderings for the algorithm. We examine several such initial orderings in some detail.
Gonzalez-Lopez, Jesus E Garcia Veronica A
2010-01-01
In this work we introduce a new and richer class of finite order Markov chain models and address the following model selection problem: find the Markov model with the minimal set of parameters (minimal Markov model) which is necessary to represent a source as a Markov chain of finite order. Let us call $M$ the order of the chain and $A$ the finite alphabet, to determine the minimal Markov model, we define an equivalence relation on the state space $A^{M}$, such that all the sequences of size $M$ with the same transition probabilities are put in the same category. In this way we have one set of $(|A|-1)$ transition probabilities for each category, obtaining a model with a minimal number of parameters. We show that the model can be selected consistently using the Bayesian information criterion.
Ruled Laguerre minimal surfaces
Skopenkov, Mikhail
2011-10-30
A Laguerre minimal surface is an immersed surface in ℝ 3 being an extremal of the functional ∫ (H 2/K-1)dA. In the present paper, we prove that the only ruled Laguerre minimal surfaces are up to isometry the surfaces ℝ (φλ) = (Aφ, Bφ, Cφ + D cos 2φ) + λ(sin φ, cos φ, 0), where A,B,C,D ε ℝ are fixed. To achieve invariance under Laguerre transformations, we also derive all Laguerre minimal surfaces that are enveloped by a family of cones. The methodology is based on the isotropic model of Laguerre geometry. In this model a Laguerre minimal surface enveloped by a family of cones corresponds to a graph of a biharmonic function carrying a family of isotropic circles. We classify such functions by showing that the top view of the family of circles is a pencil. © 2011 Springer-Verlag.
Simulating the Generalized Gibbs Ensemble (GGE): A Hilbert space Monte Carlo approach
Alba, Vincenzo
By combining classical Monte Carlo and Bethe ansatz techniques we devise a numerical method to construct the Truncated Generalized Gibbs Ensemble (TGGE) for the spin-1/2 isotropic Heisenberg (XXX) chain. The key idea is to sample the Hilbert space of the model with the appropriate GGE probability measure. The method can be extended to other integrable systems, such as the Lieb-Liniger model. We benchmark the approach focusing on GGE expectation values of several local observables. As finite-size effects decay exponentially with system size, moderately large chains are sufficient to extract thermodynamic quantities. The Monte Carlo results are in agreement with both the Thermodynamic Bethe Ansatz (TBA) and the Quantum Transfer Matrix approach (QTM). Remarkably, it is possible to extract in a simple way the steady-state Bethe-Gaudin-Takahashi (BGT) roots distributions, which encode complete information about the GGE expectation values in the thermodynamic limit. Finally, it is straightforward to simulate extensions of the GGE, in which, besides the local integral of motion (local charges), one includes arbitrary functions of the BGT roots. As an example, we include in the GGE the first non-trivial quasi-local integral of motion.
Zhang, Zhigang; Duan, Zhenhao
2002-10-01
A new technique of temperature scaling method combined with the conventional Gibbs Ensemble Monte Carlo simulation was used to study liquid-vapor phase equilibria of the methane-ethane (CH 4-C 2H 6) system. With this efficient method, a new set of united-atom Lennard-Jones potential parameters for pure C 2H 6 was found to be more accurate than those of previous models in the prediction of phase equilibria. Using the optimized potentials for liquid simulations (OPLS) potential for CH 4 and the potential of this study for C 2H 6, together with a simple mixing rule, we simulated the equilibrium compositions and densities of the CH 4-C 2H 6 mixtures with accuracy close to experiments. The simulated data are supplements to experiments, and may cover a larger temperature-pressure-composition space than experiments. Compared with some well-established equations of state such as Peng-Robinson equation of state (PR-EQS), the simulated results are found to be closer to experiments, at least in some temperature and pressure ranges.
A new Gibbs sampling based algorithm for Bayesian model updating with incomplete complex modal data
Cheung, Sai Hung; Bansal, Sahil
2017-08-01
Model updating using measured system dynamic response has a wide range of applications in system response evaluation and control, health monitoring, or reliability and risk assessment. In this paper, we are interested in model updating of a linear dynamic system with non-classical damping based on incomplete modal data including modal frequencies, damping ratios and partial complex mode shapes of some of the dominant modes. In the proposed algorithm, the identification model is based on a linear structural model where the mass and stiffness matrix are represented as a linear sum of contribution of the corresponding mass and stiffness matrices from the individual prescribed substructures, and the damping matrix is represented as a sum of individual substructures in the case of viscous damping, in terms of mass and stiffness matrices in the case of Rayleigh damping or a combination of the former. To quantify the uncertainties and plausibility of the model parameters, a Bayesian approach is developed. A new Gibbs-sampling based algorithm is proposed that allows for an efficient update of the probability distribution of the model parameters. In addition to the model parameters, the probability distribution of complete mode shapes is also updated. Convergence issues and numerical issues arising in the case of high-dimensionality of the problem are addressed and solutions to tackle these problems are proposed. The effectiveness and efficiency of the proposed method are illustrated by numerical examples with complex modes.
Cosmological parameter constraints via Gibbs sampling and the Blackwell-Rao estimator
Chu, I.-Wen Mike
We study the Blackwell-Rao (BR) estimator of the probability distribution of the angular power spectrum, P ( C [cursive l] | d ), generated via Gibbs sampling of the Cosmic Microwave Background (CMB) data. From simulated samples of full-sky no-noise CMB maps, we find the estimator to be very fast and also highly accurate. We also find that the number of samples required for convergence of the BR estimate rises rapidly with increasing [cursive l], at least at low [cursive l]. Our existing sample chains as applied to the Wilkinson Microwave Anistropy Probe (WMAP) data are only long enough to achieve convergence at [cursive l] [Special characters omitted.] 40. In comparison with P ( C [cursive l] | d ) as reported by the WMAP team we find significant differences at these low [cursive l] values. These differences lead to up to ~ 0.5 s shifts in the estimates of parameters in a 7-parameter LCDM model with non-zero d n s /d ln k , the running in the spectral index. Fixing d n s /dln k = 0 makes these shifts much less significant. Unlike existing analytic approximations, the BR estimator can be straightforwardly extended for the case of power spectra from correlated fields, such as temperature and polarization. We discuss challenges to extending the procedure to higher [cursive l] and provide some solutions.