Distance criterion for hydrogen bond
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. Distance criterion for hydrogen bond. In a D-H ...A contact, the D...A distance must be less than the sum of van der Waals Radii of the D and A atoms, for it to be a hydrogen bond.
Distance Protection of Cross-Bonded Transmission Cable-Systems
DEFF Research Database (Denmark)
Bak, Claus Leth; F. Jensen, Christian
2014-01-01
In this paper the problems of protecting a cross-bonded cable system using distance protection are analysed. The combination of the desire to expand the high voltage transmission grid and the public's opinion towards new installations of overhead lines (OHL), more and more transmission cable syst...
Theoretical investigation of shock stand-off distance for non-equilibrium flows over spheres
Shen, Hua; WEN, Chih-Yung
2018-01-01
We derived a theoretical solution of the shock stand-off distance for a non-equilibrium flow over spheres based on Wen and Hornung’s solution and Olivier’s solution. Compared with previous approaches, the main advantage of the present approach
Shirani, Farzaneh; Birang, Reza; Malekipour, Mohammad Reza; Hourmehr, Zahra; Kazemi, Shantia
2014-01-01
Background: Dental surfaces prepared with different Er:YAG laser distance may have different characteristics compared with those prepared with conventional instruments. The aim of this study was to investigate the effect of Er:YAG laser irradiation distance from enamel and dentin surfaces on the shear bond strength of composite with self-etch and etch and rinse bonding systems compared with conventional preparation method. Materials and Methods: Two hundred caries-free human third molars were randomly divided into twenty groups (n = 10). Ten groups were designated for enamel surface (E1-E10) and ten for dentin surface (D1-D10). Er: YAG laser (2940 nm) was used on the E1-E8 (240 mJ, 25 Hz) and D1-D8 (140 mJ, 30 Hz) groups at four different distances of 0.5 (standard), 2, 4 and 11 mm. Control groups (E9, E10, D9 and D10) were ground with medium grit diamond bur. The enamel and dentin specimens were divided into two subgroups that were bonded with either Single Bond or Clearfil SE Bond. Resin composite (Z100) was dispensed on prepared dentin and enamel. The shear bond strengths were tested using a universal testing machine. Data were analyzed by SPSS12 statistical software using three way analysis of variance, Tukey and independent t-test. P enamel and dentin substrates (P enamel surfaces (in both bonding agent subgroups) and on dentin surfaces (in the Single Bond subgroup). Conclusion: Laser irradiation decreases shear bond strength. Irradiation distance affects shear bond strength and increasing the distance would decrease the negative effects of laser irradiation. PMID:25540665
Chemical bonding and the equilibrium composition of Grignard reagents in ethereal solutions.
Henriques, André M; Barbosa, André G H
2011-11-10
A thorough analysis of the electronic structure and thermodynamic aspects of Grignard reagents and its associated equilibrium composition in ethereal solutions is performed. Considering methylmagnesium halides containing fluorine, chlorine, and bromine, we studied the neutral, charged, and radical species associated with their chemical equilibrium in solution. The ethereal solvents considered, tetrahydrofuran (THF) and ethyl ether (Et(2)O), were modeled using the polarizable continuum model (PCM) and also by explicit coordination to the Mg atoms in a cluster. The chemical bonding of the species that constitute the Grignard reagent is analyzed in detail with generalized valence bond (GVB) wave functions. Equilibrium constants were calculated with the DFT/M06 functional and GVB wave functions, yielding similar results. According to our calculations and existing kinetic and electrochemical evidence, the species R(•), R(-), (•)MgX, and RMgX(2)(-) must be present in low concentration in the equilibrium. We conclude that depending on the halogen, a different route must be followed to produce the relevant equilibrium species in each case. Chloride and bromide must preferably follow a "radical-based" pathway, and fluoride must follow a "carbanionic-based" pathway. These different mechanisms are contrasted against the available experimental results and are proven to be consistent with the existing thermodynamic data on the Grignard reagent equilibria.
Theoretical investigation of shock stand-off distance for non-equilibrium flows over spheres
Shen, Hua
2018-02-20
We derived a theoretical solution of the shock stand-off distance for a non-equilibrium flow over spheres based on Wen and Hornung’s solution and Olivier’s solution. Compared with previous approaches, the main advantage of the present approach is allowing an analytic solution without involving any semi-empirical parameter for the whole non-equilibrium flow regimes. The effects of some important physical quantities therefore can be fully revealed via the analytic solution. By combining the current solution with Ideal Dissociating Gas (IDG) model, we investigate the effects of free stream kinetic energy and free stream dissociation level (which can be very different between different facilities) on the shock stand-off distance.
Naranjo, Teresa; Cerrón, Fernando; Nieto-Ortega, Belén; Latorre, Alfonso; Somoza, Álvaro; Ibarra, Borja; Pérez, Emilio M
2017-09-01
Decades after the birth of supramolecular chemistry, there are many techniques to measure noncovalent interactions, such as hydrogen bonding, under equilibrium conditions. As ensembles of molecules rapidly lose coherence, we cannot extrapolate bulk data to single-molecule events under non-equilibrium conditions, more relevant to the dynamics of biological systems. We present a new method that exploits the high force resolution of optical tweezers to measure at the single molecule level the mechanical strength of a hydrogen bonded host-guest pair out of equilibrium and under near-physiological conditions. We utilize a DNA reporter to unambiguously isolate single binding events. The Hamilton receptor-cyanuric acid host-guest system is used as a test bed. The force required to dissociate the host-guest system is ∼17 pN and increases with the pulling rate as expected for a system under non-equilibrium conditions. Blocking one of the hydrogen bonding sites results in a significant decrease of the force-to-break by 1-2 pN, pointing out the ability of the method to resolve subtle changes in the mechanical strength of the binding due to the individual H-bonding components. We believe the method will prove to be a versatile tool to address important questions in supramolecular chemistry.
Jaric, S; Corcos, D M; Gottlieb, G L; Ilic, D B; Latash, M L
1994-01-01
Predictions of two views on single-joint motor control, namely programming of muscle force patterns and equilibrium-point control, were compared with the results of experiments with reproduction of movement distance and final location during fast unidirectional elbow flexions. Two groups of subjects were tested. The first group practiced movements over a fixed distance (36 degrees), starting from seven different initial positions (distance group, DG). The second group practiced movements from the same seven initial positions to a fixed final location (location group, LG). Later, all the subjects were tested at the practiced task with their eyes closed, and then, unexpectedly for the subjects, they were tested at the other, unpracticed task. In both groups, the task to reproduce final position had lower indices of final position variability than the task to reproduce movement distance. Analysis of the linear regression lines between initial position and final position (or movement distance) also demonstrated a better (more accurate) performance during final position reproduction than during distance reproduction. The data are in a good correspondence with the predictions of the equilibrium-point hypothesis, but not with the predictions of the force-pattern control approach.
Bond-equilibrium theory of liquid Se-Te alloys. II. Effect of singly attached ring molecules
Cutler, Melvin; Bez, Wolfgang G.
1981-06-01
A statistical-mechanical theory for bond equilibrium of chain polymers containing threefold (3F) and onefold (1F) bond defects is extended to include the effects of free ring molecules and ring molecules attached to chains by a single 3F atom. Positively charged singly attached rings are shown to play a key role in bond equilibrium in liquid Sex Te1-x by permitting the formation of ion pairs in which both constituents are effectively chain terminators, thus decreasing the average polymer size. The theory is applied to explain the behavior of the paramagnetic susceptibility, χp, and electronic transport as affected by the Fermi energy EF. It is found that the increase in χp with the concentration of Te is primarily the result of the smaller energy for breaking Te bonds. In addition, attached rings play an important role in determining the effect of temperature on χp. At x<~0.5, the concentrations of both free and attached rings becomes small at high T because of the high concentration of bond defects.
Weckhuysen, B.M.; Wachs, I.E.
1996-01-01
An empirical correlation is described for relating Raman stretching frequencies of chromium—oxygen (Cr—O) bonds to their bond lengths in chromium oxide reference compounds. An exponential fit of crystallographically determined Cr—O bond lengths to Cr—O Raman symmetric stretching frequencies
van den Hoven, Mariëtte; Kole, Jos
2015-01-01
The method of reflective equilibrium (RE) is well known within the domain of moral philosophy, but hardly discussed as a method in professional ethics education. We argue that an interpersonal version of RE is very promising for professional ethics education. We offer several arguments to support
van den Hoven, Mariëtte; Kole, Jos
2015-01-01
The method of reflective equilibrium (RE) is well known within the domain of moral philosophy, but hardly discussed as a method in professional ethics education. We argue that an interpersonal version of RE is very promising for professional ethics education. We offer several arguments to support this claim. The first group of arguments focus on a…
Distance-dependent diffusion-controlled reaction of •NO and O2•- at chemical equilibrium with ONOO-.
Botti, Horacio; Möller, Matías N; Steinmann, Daniel; Nauser, Thomas; Koppenol, Willem H; Denicola, Ana; Radi, Rafael
2010-12-16
The fast reaction of (•)NO and O(2)(•-) to give ONOO(-) has been extensively studied at irreversible conditions, but the reasons for the wide variations in observed forward rate constants (3.8 ≤ k(f) ≤ 20 × 10(9) M(-1) s(-1)) remain unexplained. We characterized the diffusion-dependent aqueous (pH > 12) chemical equilibrium of the form (•)NO + O(2)(•-) = ONOO(-) with respect to its dependence on temperature, viscosity, and [ONOO(-)](eq) by determining [ONOO(-)](eq) and [(•)NO](eq). The equilibrium forward reaction rate constant (k(f)(eq)) has negative activation energy, in contrast to that found under irreversible conditions. In contradiction to the law of mass action, we demonstrate that the equilibrium constant depends on ONOO(-) concentration. Therefore, a wide range of k(f)(eq) values could be derived (7.5-21 × 10(9) M(-1) s(-1)). Of general interest, the variations in k(f) can thus be explained by its dependence on the distance between ONOO(-) particles (sites of generation of (•)NO and O(2)(•-)).
DEFF Research Database (Denmark)
Shim, Irene; Pelino, Mario; Gingerich, Karl A.
1992-01-01
, and they hardly contribute to the bonding. The chemical bond in the YC molecule is polar with charge transfer from Y to C giving rise to a dipole moment of 3.90 D at 3.9 a.u. in the 4PI ground state. Mass spectrometric equilibrium investigations in the temperature range 2365-2792 K have resulted...
Grohe, Kristof; Movellan, Kumar Tekwani; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus
2017-05-01
We demonstrate measurement of non-equilibrium backbone amide hydrogen-deuterium exchange rates (HDX) for solid proteins. The target of this study are the slowly exchanging residues in solid samples, which are associated with stable secondary-structural elements of proteins. These hydrogen exchange processes escape methods measuring equilibrium exchange rates of faster processes. The method was applied to a micro-crystalline preparation of the SH3 domain of chicken α-spectrin. Therefore, from a 100% back-exchanged micro-crystalline protein preparation, the supernatant buffer was exchanged by a partially deuterated buffer to reach a final protonation level of approximately 20% before packing the sample in a 1.3 mm rotor. Tracking of the HN peak intensities for 2 weeks reports on site-specific hydrogen bond strength and also likely reflects water accessibility in a qualitative manner. H/D exchange can be directly determined for hydrogen-bonded amides using 1 H detection under fast magic angle spinning. This approach complements existing methods and provides the means to elucidate interesting site-specific characteristics for protein functionality in the solid state.
A modification of the Schomaker—Stevenson rule for prediction of single bond distances
Blom, Richard; Haaland, Arne
1985-04-01
A modification of the Schomaker—Stevenson rule: ?c = 8.5 pm, n = 1.4, significantly reduces the discrepancy between experimental calculated bond lengths for every polar bonds between main group elements.
International Nuclear Information System (INIS)
Meyerstein, D.; Ben-Gurion Univ. of the Negev, Beersheba
1989-01-01
Pulse-Radiolysis is a powerful technique for the determination of the equilibrium constants of the homolytic cleavage of metal-carbon σ bonds in aqueous solutions. In most systems studied the observed reaction is: L m-1 M (n+1) -R + L ↔ ML m. n + ·R. Therefore the results do not enable a direct determination of the metal-carbon bond dissociation energies. The results obtained indicate that these equilibrium constants are not directly related to the redox potential of either L .m M (n) or of ·R, or to the activation energies for the homolytic cleavage of a family of similarly substituted ethanes. (author)
Yoshidomi, Shohei; Mishima, Megumi; Seyama, Shin; Abe, Manabu; Fujiwara, Yoshihisa; Ishibashi, Taka-Aki
2017-03-06
Localized singlet diradicals are key intermediates in bond homolyses. The singlet diradicals are energetically much less stable than the σ-bonded species. In general, only one-way reactions from diradicals to σ-bonded species are observed. In this study, a thermal equilibrium between a singlet 1,2-diazacyclopentane-3,5-diyl diradical and the corresponding σ-bonded species was directly observed. The singlet diradical was more stable than the σ-bonded species. The solvent effect clarified key features, such as the zwitterionic character of the singlet diradical. The effect of the nitrogen atoms is discussed in detail. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Zhou Xianju; Wong, W.-T.; Faucher, Michele D.; Tanner, Peter A.
2008-01-01
Along with crystallographic data of Ln[Fe(CN) 6 ].4H 2 O (Ln=lanthanide), the infrared spectra are reassigned to examine bond length trends across the series of Ln. The changes in mean Ln-O, Ln-N, C≡N and Fe-C distances are discussed and the bond natures of Ln-N and Ln-O are studied by bond length linear or quadratic fitting and comparisons with relevant ionic radii. The two different C≡N bond distances have been simulated by the covalo-electrostatic model. - Graphical abstract: Crystallographic and FTIR data for Ln[Fe(CN) 6 ].4H 2 O enable the changes in Ln-O, Ln-N, C≡N and Fe-C distances to be determined and modeled across the lanthanide series
DEFF Research Database (Denmark)
Tsivintzelis, Ioannis; Economou, Ioannis; Kontogeorgis, Georgios
2009-01-01
simpler molecules of similar chemical structure and/or are fitted to Hansen's partial solubility parameters. The methodology is applied to modeling the solubility of three pharmaceuticals, namely acetanilide, phenacetin, and paracetamol, using the nonrandom hydrogen bonding (NRHB) EoS. In all cases...
Czech Academy of Sciences Publication Activity Database
Heyrovská, Raji
2006-01-01
Roč. 432, č. 1-3 (2006), s. 348-351 ISSN 0009-2614 R&D Projects: GA MŠk(CZ) LC06035 Institutional research plan: CEZ:AV0Z50040507 Keywords : length of the hydrogen bond * ionic radius * Golden ratio Subject RIV: BO - Biophysics Impact factor: 2.462, year: 2006
Directory of Open Access Journals (Sweden)
Liberles David A
2006-03-01
Full Text Available Abstract Background The exchange of nucleotides at synonymous sites in a gene encoding a protein is believed to have little impact on the fitness of a host organism. This should be especially true for synonymous transitions, where a pyrimidine nucleotide is replaced by another pyrimidine, or a purine is replaced by another purine. This suggests that transition redundant exchange (TREx processes at the third position of conserved two-fold codon systems might offer the best approximation for a neutral molecular clock, serving to examine, within coding regions, theories that require neutrality, determine whether transition rate constants differ within genes in a single lineage, and correlate dates of events recorded in genomes with dates in the geological and paleontological records. To date, TREx analysis of the yeast genome has recognized correlated duplications that established a new metabolic strategies in fungi, and supported analyses of functional change in aromatases in pigs. TREx dating has limitations, however. Multiple transitions at synonymous sites may cause equilibration and loss of information. Further, to be useful to correlate events in the genomic record, different genes within a genome must suffer transitions at similar rates. Results A formalism to analyze divergence at two fold redundant codon systems is presented. This formalism exploits two-state approach-to-equilibrium kinetics from chemistry. This formalism captures, in a single equation, the possibility of multiple substitutions at individual sites, avoiding any need to "correct" for these. The formalism also connects specific rate constants for transitions to specific approximations in an underlying evolutionary model, including assumptions that transition rate constants are invariant at different sites, in different genes, in different lineages, and at different times. Therefore, the formalism supports analyses that evaluate these approximations. Transitions at synonymous
Directory of Open Access Journals (Sweden)
Rutger de Wit
2005-09-01
Full Text Available Sven Erik Jørgensen has boldly proposed a “Fourth Law of Thermodynamics” which he also advocates as the “Ecological Law of Thermodynamics” or ELT (Integration of Ecosystem Theories: A Pattern, Kluwer Academic Publisher. This Law is still a hypothesis and can be tested. I disagree with the generalised way he uses the term “exergy” in his approach. Exergy is commonly defined as a measure of the work capacity of a system. According to the physicists Boltzmann information embodies energy. Jørgensen takes this into account when considering the “exergy” stored in ecosystems; hence, according to his way of calculating the genetic information of the organisms is the mayor contribution to “exergy”. I argue that energy has been embodied in the information during a historical process and that because of fundamental irreversibility this energy cannot be extracted again for work capacity. Moreover, other phenomena mentioned earlier by Ramon Margalef, demonstrate that proliferating information in biota shows uncoupling with respect to its embodied energy content according to the Boltzmann formula. In spite of these objections, some of Sven Erik Jørgensen’s core ideas are exiting and worthwhile testing. I place these within the context of the non-equilibrium thermodynamic theories on “dissipative systems” developed by the physicist Ilya Prigogine.
Indian Academy of Sciences (India)
... all resembling H bonds. Non-linear H bonds due to secondary interactions. C-H stretching frequency shows blue shift. Heavy atom distances are longer than the sum of van der Waals radii. Formed a task group through IUPAC to come up with a modern definition of H bond. 15 international experts including Desiraju.
Representing distance, consuming distance
DEFF Research Database (Denmark)
Larsen, Gunvor Riber
Title: Representing Distance, Consuming Distance Abstract: Distance is a condition for corporeal and virtual mobilities, for desired and actual travel, but yet it has received relatively little attention as a theoretical entity in its own right. Understandings of and assumptions about distance...... are being consumed in the contemporary society, in the same way as places, media, cultures and status are being consumed (Urry 1995, Featherstone 2007). An exploration of distance and its representations through contemporary consumption theory could expose what role distance plays in forming...
Said, Ahmed M; Hangauer, David G
2015-01-01
One of the underappreciated non-covalent binding factors, which can significantly affect ligand-protein binding affinity, is the cooperativity between ligand functional groups. Using four different series of thrombin inhibitors, we reveal a strong positive cooperativity between an H-bond accepting carbonyl functionality and the adjacent P3 hydrophobic side chain. Adding an H-bond donating amine adjacent to the P3 hydrophobic side chain further increases this positive cooperativity thereby improving the Ki by as much as 546-fold. In contrast, adding an amidine multiple H-bond/salt bridge group in the distal S1 pocket does not affect this cooperativity. An analysis of the crystallographic B-factors of the ligand groups inside the binding site indicates that the strong cooperativity is mainly due to a significant mutual reduction in the residual mobility of the hydrophobic side chain and the H-bonding functionalities that is absent when the separation distance is large. This type of cooperativity is important to encode in binding affinity prediction software, and to consider in SAR studies. Copyright © 2015 Elsevier Masson SAS. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Kemmler-Sack, S; Fadini, A [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie
1977-12-01
In solid solutions between the 1:1 ordered perovskites Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/ (system Ba/sub 2/MgUsub(1-x)Wsub(x)O/sub 6/) the force constants of the UO/sub 6/ and WO/sub 6/ octahedras are variied. The valence force constants fsub(MO) tend to adjust for each x. The bond order and the M-O distances are reported as well.
Energy Technology Data Exchange (ETDEWEB)
Anon.
1984-12-15
From 3-6 September the First International Workshop on Local Equilibrium in Strong Interaction Physics took place in Bad-Honnef at the Physics Centre of the German Physical Society. A number of talks covered the experimental and theoretical investigation of the 'hotspots' effect, both in high energy particle physics and in intermediate energy nuclear physics.
African Journals Online (AJOL)
context of antimicrobial therapy in malnutrition. Dialysis has in the past presented technical problems, being complicated and time-consuming. A new dialysis system based on the equilibrium technique has now become available, and it is the principles and practical application of this apparatus (Kontron Diapack; Kontron.
van Damme, E.E.C.
2000-01-01
An outcome in a noncooperative game is said to be self-enforcing, or a strategic equilibrium, if, whenever it is recommended to the players, no player has an incentive to deviate from it.This paper gives an overview of the concepts that have been proposed as formalizations of this requirement and of
Ismail, M.S.
2014-01-01
We introduce a new concept which extends von Neumann and Morgenstern's maximin strategy solution by incorporating `individual rationality' of the players. Maximin equilibrium, extending Nash's value approach, is based on the evaluation of the strategic uncertainty of the whole game. We show that
Quasi-equilibrium in glassy dynamics: an algebraic view
International Nuclear Information System (INIS)
Franz, Silvio; Parisi, Giorgio
2013-01-01
We study a chain of identical glassy systems in a constrained equilibrium, where each bond of the chain is forced to remain at a preassigned distance to the previous one. We apply this description to mean-field glassy systems in the limit of a long chain where each bond is close to the previous one. We show that this construction defines a pseudo-dynamic process that in specific conditions can formally describe real relaxational dynamics for long times. In particular, in mean-field spin glass models we can recover in this way the equations of Langevin dynamics in the long time limit at the dynamical transition temperature and below. We interpret the formal identity as evidence that in these situations the configuration space is explored in a quasi-equilibrium fashion. Our general formalism, which relates dynamics to equilibrium, puts slow dynamics in a new perspective and opens the way to the computation of new dynamical quantities in glassy systems. (paper)
Chau, Nancy H.
2009-01-01
This paper presents a capability-augmented model of on the job search, in which sweatshop conditions stifle the capability of the working poor to search for a job while on the job. The augmented setting unveils a sweatshop equilibrium in an otherwise archetypal Burdett-Mortensen economy, and reconciles a number of oft noted yet perplexing features of sweatshop economies. We demonstrate existence of multiple rational expectation equilibria, graduation pathways out of sweatshops in complete abs...
Luca Anderlini; Daniele Terlizzese
2009-01-01
We build a simple model of trust as an equilibrium phenomenon, departing from standard "selfish" preferences in a minimal way. Agents who are on the receiving end of an other to transact can choose whether to cheat and take away the entire surplus, taking into account a "cost of cheating." The latter has an idiosyncratic component (an agent's type), and a socially determined one. The smaller the mass of agents who cheat, the larger the cost of cheating suffered by those who cheat. Depending o...
DEFF Research Database (Denmark)
Pawlowski, F; Jorgensen, P; Olsen, Jeppe
2002-01-01
A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...
de Oliveira, Mário J
2017-01-01
This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...
National Research Council Canada - National Science Library
Braddock, Joseph
1997-01-01
A study reviewing the existing Army Distance Learning Plan (ADLP) and current Distance Learning practices, with a focus on the Army's training and educational challenges and the benefits of applying Distance Learning techniques...
Equilibrium calculations, ch. 6
International Nuclear Information System (INIS)
Deursen, A.P.J. van
1976-01-01
A calculation is presented of dimer intensities obtained in supersonic expansions. There are two possible limiting considerations; the dimers observed are already present in the source, in thermodynamic equilibrium, and are accelerated in the expansion. Destruction during acceleration is neglected, as are processes leading to newly formed dimers. On the other hand one can apply a kinetic approach, where formation and destruction processes are followed throughout the expansion. The difficulty of this approach stems from the fact that the density, temperature and rate constants have to be known at all distances from the nozzle. The simple point of view has been adopted and the measured dimer intensities are compared with the equilibrium concentration in the source. The comparison is performed under the assumption that the detection efficiency for dimers is twice the detection efficiency for monomers. The experimental evidence against the simple point of view that the dimers of the onset region are formed in the source already, under equilibrium conditions, is discussed. (Auth.)
Hydrogen bonded C-H···Y (Y = O, S, Hal) molecular complexes: A natural bond orbital analysis
Isaev, A. N.
2016-03-01
Hydrogen bonded C-H···Y complexes formed by H2O, H2S molecules, hydrogen halides, and halogen-ions with methane, halogen substituted methane as well as with the C2H2 and NCH molecules were studied at the MP2/aug-cc-pVDZ level. The structure of NBOs corresponding to lone pair of acceptor Y, n Y, and vacant anti-σ-bond C-H of proton donor was analyzed and estimates of second order perturbation energy E(2) characterizing donor-acceptor n Y → σ C-H * charge-transfer interaction were obtained. Computational results for complexes of methane and its halogen substituted derivatives show that for each set of analogous structures, the EnY→σ*C-H (2) energy tends to grow with an increase in the s-component percentage in the lone pair NBO of acceptor Y. Calculations for different C···Y distances show that the equilibrium geometries of complexes lie in the region where the E(2) energy is highest and it changes symbatically with the length of the covalent E-H bond when the R(C···Y) distance is varied. The performed analysis allows us to divide the hydrogen bonded complexes into two groups, depending on the pattern of overlapping for NBOs of the hydrogen bridge.
Equilibrium structure of rare earth trihalides
International Nuclear Information System (INIS)
Oezgueven, Y.
2004-01-01
In this work, we have calculate the equilibrium structure of the yttrium tribromide (YBr 3 ) and its dimer using the interionic force model . In the determination of the model parameters of Y monomer and dimer we use the measured value of the breathing mode of molecular dimer in the pure molecular liquid. We compare our results for the equilibrium structure of molecular dimer namely, the bond lengths and bond angles, with measured values from electron diffraction and with the results of other theoretical calculations. The agreement between calculated and measured spectra frequencies of vibrational modes can be considered as very reasonable
Pollack, Rachel H.
2000-01-01
Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…
Additional disulfide bonds in insulin
DEFF Research Database (Denmark)
Vinther, Tine N; Pettersson, Ingrid; Huus, Kasper
2015-01-01
The structure of insulin, a glucose homeostasis-controlling hormone, is highly conserved in all vertebrates and stabilized by three disulfide bonds. Recently, we designed a novel insulin analogue containing a fourth disulfide bond located between positions A10-B4. The N-terminus of insulin's B......-chain is flexible and can adapt multiple conformations. We examined how well disulfide bond predictions algorithms could identify disulfide bonds in this region of insulin. In order to identify stable insulin analogues with additional disulfide bonds, which could be expressed, the Cβ cut-off distance had...... in comparison to analogues with additional disulfide bonds that were more difficult to predict. In contrast, addition of the fourth disulfide bond rendered all analogues resistant to fibrillation under stress conditions and all stable analogues bound to the insulin receptor with picomolar affinities. Thus...
Directory of Open Access Journals (Sweden)
Robert F. Love
2001-01-01
Full Text Available Distance predicting functions may be used in a variety of applications for estimating travel distances between points. To evaluate the accuracy of a distance predicting function and to determine its parameters, a goodness-of-fit criteria is employed. AD (Absolute Deviations, SD (Squared Deviations and NAD (Normalized Absolute Deviations are the three criteria that are mostly employed in practice. In the literature some assumptions have been made about the properties of each criterion. In this paper, we present statistical analyses performed to compare the three criteria from different perspectives. For this purpose, we employ the ℓkpθ-norm as the distance predicting function, and statistically compare the three criteria by using normalized absolute prediction error distributions in seventeen geographical regions. We find that there exist no significant differences between the criteria. However, since the criterion SD has desirable properties in terms of distance modelling procedures, we suggest its use in practice.
DEFF Research Database (Denmark)
Shim, Irene; Kingcade, Joseph E.; Gingerich, Karl A.
1988-01-01
-lying electronic states of the NiGe molecule have all been characterized by the symmetry of the hole in the 3d shell of Ni. The dissociation energy of the NiGe molecule has been determined from our high temperature mass spectrometric equilibrium data in combination with the theoretical results as D [open circle] 0...... =286.8±10.9 kJ mol−1. The standard heat of formation of the NiGe molecule has been obtained as DeltaH [open circle] f,298 =514±12 kJ mol−1. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....
Equilibrium Droplets on Deformable Substrates: Equilibrium Conditions.
Koursari, Nektaria; Ahmed, Gulraiz; Starov, Victor M
2018-05-15
Equilibrium conditions of droplets on deformable substrates are investigated, and it is proven using Jacobi's sufficient condition that the obtained solutions really provide equilibrium profiles of both the droplet and the deformed support. At the equilibrium, the excess free energy of the system should have a minimum value, which means that both necessary and sufficient conditions of the minimum should be fulfilled. Only in this case, the obtained profiles provide the minimum of the excess free energy. The necessary condition of the equilibrium means that the first variation of the excess free energy should vanish, and the second variation should be positive. Unfortunately, the mentioned two conditions are not the proof that the obtained profiles correspond to the minimum of the excess free energy and they could not be. It is necessary to check whether the sufficient condition of the equilibrium (Jacobi's condition) is satisfied. To the best of our knowledge Jacobi's condition has never been verified for any already published equilibrium profiles of both the droplet and the deformable substrate. A simple model of the equilibrium droplet on the deformable substrate is considered, and it is shown that the deduced profiles of the equilibrium droplet and deformable substrate satisfy the Jacobi's condition, that is, really provide the minimum to the excess free energy of the system. To simplify calculations, a simplified linear disjoining/conjoining pressure isotherm is adopted for the calculations. It is shown that both necessary and sufficient conditions for equilibrium are satisfied. For the first time, validity of the Jacobi's condition is verified. The latter proves that the developed model really provides (i) the minimum of the excess free energy of the system droplet/deformable substrate and (ii) equilibrium profiles of both the droplet and the deformable substrate.
Bond lengths in Cd1-xZnxTe beyond linear laws revisited
International Nuclear Information System (INIS)
Koteski, V.; Haas, H.; Holub-Krappe, E.; Ivanovic, N.; Mahnke, H.-E.
2004-01-01
We have investigated the development of local bond lengths with composition in the Cd 1-x Zn x Te mixed system by measuring the fine structure in X-ray absorption (EXAFS) at all three constituent atoms. The bond strength is found to dominate over the averaging of the bulk so that the local bond length deviates only slightly from its natural value determined for the pure binary components ZnTe and CdTe, respectively. The deviations are significantly less than predicted by a simple radial force constant model for tetrahedrally co-ordinated binary systems, and the bond-length variation with concentration is significantly non-linear. For the second shell, bimodal anion-anion distances are found while the cation-cation distances can already be described by the virtual crystal approximation. In the diluted regime close to the end-point compounds, we have complemented our experimental work by ab initio calculations based on density functional theory with the WIEN97 program using the linearised augmented plane wave method. Equilibrium atomic lattice positions have been calculated for the substitutional isovalent metal atom in a 32-atom super cell, Zn in the CdTe lattice or Cd in the ZnTe lattice, respectively, yielding good agreement with the atomic distances as determined in our EXAFS experiments
Ion exchange equilibrium constants
Marcus, Y
2013-01-01
Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and
Quantity Constrained General Equilibrium
Babenko, R.; Talman, A.J.J.
2006-01-01
In a standard general equilibrium model it is assumed that there are no price restrictions and that prices adjust infinitely fast to their equilibrium values.In case of price restrictions a general equilibrium may not exist and rationing on net demands or supplies is needed to clear the markets.In
Directory of Open Access Journals (Sweden)
T. Paul de Cock
2014-08-01
Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.
Savelyev, Alexey; MacKerell, Alexander D.
2015-01-01
Recently, we reported the differential impact of the monovalent cations Li+, Na+, K+ and Rb+ on DNA conformational properties. These were identified from variations in the calculated solution-state X-ray DNA spectra as a function of the ion type in the solvation buffer in MD simulations using our recently developed polarizable force field based on the classical Drude oscillator. Changes in the DNA structure were found to mainly involve variations in the minor groove width. Because minor groove dimensions vary significantly in protein-DNA complexes and have been shown to play a critical role in both specific and nonspecific DNA readout, understanding the origins of the observed differential DNA modulation by the first-group monovalent ions is of great biological importance. In the present study we show that the primary microscopic mechanism for the phenomenon is the formation of the water-mediated hydrogen bonds between solvated cations located inside the minor groove and simultaneously to two DNA strands, a process whose intensity and impact on DNA structure depends on both the type of the ion and DNA sequence. Additionally, it is shown that formation of such ion-DNA hydrogen bond complexes appreciably modulates the conformation of the backbone by increasing the population of the BII substate. Notably, the differential impact of the ions on DNA conformational behavior is only predicted by the Drude polarizable model for DNA, with virtually no effect observed from MD simulations utilizing the additive CHARMM36 model. Analysis of dipole moments of the water shows the Drude SWM4 model to possess high sensitivity to changes in the local environment, which indicates the important role of electronic polarization in the salt-dependent conformational properties. This also suggests that inclusion of polarization effects is required to model even relatively simple biological systems such as DNA in various ionic solutions. PMID:26575937
Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case.
Mroczyńska, Karina; Kaczorowska, Małgorzata; Kolehmainen, Erkki; Grubecki, Ireneusz; Pietrzak, Marek; Ośmiałowski, Borys
2015-01-01
The association of substituted benzoates and naphthyridine dianions was used to study the complexation of dibutyltriuret. The title molecule is the simplest molecule able to form two intramolecular hydrogen bonds. The naphthyridine salt was used to break two intramolecular hydrogen bonds at a time while with the use of substituted benzoates the systematic approach to study association was achieved. Both, titrations and variable temperature measurements shed the light on the importance of conformational equilibrium and its influence on association in solution. Moreover, the associates were observed by mass spectrometry. The DFT-based computations for complexes and single bond rotational barriers supports experimental data and helps understanding the properties of multiply hydrogen bonded complexes.
Locking a molecular bond: A case study of CsI
DEFF Research Database (Denmark)
Szakács, Tamás; Amstrup, Bjarne; Gross, Peter
1994-01-01
This paper treats the problem of locking a molecular bond at a length other than the equilibrium distance, with the help of optical electric fields. Locking conditions for single-color fields are examined, and slowly decaying locked wave functions are sought. These were functions are then used...... as target functions in an optimal control procedure. The resultant solution is an optimal field that creates a wave function as close as possible to the target function, followed by the application of a locking single-color field that can keep a large part of this wave function at the given position...
Directory of Open Access Journals (Sweden)
Katarina Pucelj
2006-12-01
Full Text Available I would like to underline the role and importance of knowledge, which is acquired by individuals as a result of a learning process and experience. I have established that a form of learning, such as distance learning definitely contributes to a higher learning quality and leads to innovative, dynamic and knowledgebased society. Knowledge and skills enable individuals to cope with and manage changes, solve problems and also create new knowledge. Traditional learning practices face new circumstances, new and modern technologies appear, which enable quick and quality-oriented knowledge implementation. The centre of learning process at distance learning is to increase the quality of life of citizens, their competitiveness on the workforce market and ensure higher economic growth. Intellectual capital is the one, which represents the biggest capital of each society and knowledge is the key factor for succes of everybody, who are fully aware of this. Flexibility, openness and willingness of people to follow new IT solutions form suitable environment for developing and deciding to take up distance learning.
Brignole, Esteban Alberto
2013-01-01
Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and
International Nuclear Information System (INIS)
Balter, H.S.
1994-01-01
This work studies the behaviour of radionuclides when it produce a desintegration activity,decay and the isotopes stable creation. It gives definitions about the equilibrium between activity of parent and activity of the daughter, radioactive decay,isotope stable and transient equilibrium and maxim activity time. Some considerations had been given to generators that permit a disgregation of two radioisotopes in equilibrium and its good performance. Tabs
Li, Yang; Tu, Xingchen; Wang, Minglang; Wang, Hao; Sanvito, Stefano; Hou, Shimin
2014-01-01
© 2014 AIP Publishing LLC. The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green's function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, -CH2, groups and the other one is composed of one, two, or three -CH2 groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, -COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent Au-S bonds localized at the molecule-electrode interfaces and the electronic coupling between -COOH and S dominate the low-bias junction conductance. Following the increase of the number of the -CH2 groups, the coupling between -COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.
Li, Yang
2014-11-07
© 2014 AIP Publishing LLC. The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green\\'s function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, -CH2, groups and the other one is composed of one, two, or three -CH2 groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, -COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent Au-S bonds localized at the molecule-electrode interfaces and the electronic coupling between -COOH and S dominate the low-bias junction conductance. Following the increase of the number of the -CH2 groups, the coupling between -COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.
Equilibrium and non-equilibrium metal-ceramic interfaces
International Nuclear Information System (INIS)
Gao, Y.; Merkle, K.L.
1992-01-01
Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO 2 ) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO 2 system, ZrO 2 precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO 2 phase. It appears that formation of the cubic ZrO 2 is facilitated by alignment with the Au matrix. Most of the ZrO 2 precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed [111] Au/ZrO 2 interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent or semi-coherent. This paper reports that this indicates that there may be a relatively strong bond between MgO and Au
Kleppe, J.; Borm, P.E.M.; Hendrickx, R.L.P.
2008-01-01
Fall back equilibrium is a refinement of the Nash equilibrium concept. In the underly- ing thought experiment each player faces the possibility that, after all players decided on their action, his chosen action turns out to be blocked. Therefore, each player has to decide beforehand on a back-up
Equilibrium and non equilibrium in fragmentation
International Nuclear Information System (INIS)
Dorso, C.O.; Chernomoretz, A.; Lopez, J.A.
2001-01-01
Full text: In this communication we present recent results regarding the interplay of equilibrium and non equilibrium in the process of fragmentation of excited finite Lennard Jones drops. Because the general features of such a potential resemble the ones of the nuclear interaction (fact that is reinforced by the similarity between the EOS of both systems) these studies are not only relevant from a fundamental point of view but also shed light on the problem of nuclear multifragmentation. We focus on the microscopic analysis of the state of the fragmenting system at fragmentation time. We show that the Caloric Curve (i e. the functional relationship between the temperature of the system and the excitation energy) is of the type rise plateau with no vapor branch. The usual rise plateau rise pattern is only recovered when equilibrium is artificially imposed. This result puts a serious question on the validity of the freeze out hypothesis. This feature is independent of the dimensionality or excitation mechanism. Moreover we explore the behavior of magnitudes which can help us determine the degree of the assumed phase transition. It is found that no clear cut criteria is presently available. (Author)
Structure phenomena in the bond zone of explosively bonded plates
International Nuclear Information System (INIS)
Livne, Z.
1979-12-01
In the bond areas of couples of explosively bonded plates, there are often zones, generally designated as ''molten pockets'', which have undergone melting and solidification. The object of the present study was to investigate molten pockets, which have a decisive effect on bond quality. The experimental samples for the study were chosen in consideration of the mutual behaviour of the plates constituting the couples, according to their equilibrium phase diagrams. To facilitate the investigation, large plates were bonded under conditions that enabled to to obtain wavy bond zones that included relatively large molten pockets. To clarify the complex nature of molten pockets and their surroundings, a wide variety of methods were employed. It was found that the shape and composition of molten pockets largely depend upon the mechanism of formation of both the bond wave and the molten pockets. It was also found that the composition of molten pockets is not homogeneous, which is manifest in the modification of the composition of the pockets, the solidification morphology, the phases, which have been identified by X-ray diffraction, and the bond strenght and hardness. Moreover, the different solidification morphologies revealed by metallography were found to depend upon the types of plates bonded, the bonding conditions and the location of pockets in the wavy interface. For molten pockets, cooling rates of 10 4 to 10 5 (degC/sec) have been deduced from interdendritic spacing, and found to be in good agreement with calculations after a mathematical model. It seems that the fast cooling rates and the steep temperature gradients are at the origin of the particular solidification phenomena observed in molten pockets
Chemical Principles Revisited: Chemical Equilibrium.
Mickey, Charles D.
1980-01-01
Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)
Equilibrium and non-equilibrium phenomena in arcs and torches
Mullen, van der J.J.A.M.
2000-01-01
A general treatment of non-equilibrium plasma aspects is obtained by relating transport fluxes to equilibrium restoring processes in so-called disturbed Bilateral Relations. The (non) equilibrium stage of a small microwave induced plasma serves as case study.
A DFT study of cyclopropane adsorption on Pt(1 1 1). Electronic structure and bonding
International Nuclear Information System (INIS)
Germán, E.; López-Corral, I.; Pirillo, S.; Juan, A.; Brizuela, G.
2014-01-01
We have studied the adsorption of cyclopropane (c-C 3 H 6 ) on Pt(1 1 1) by means of the density functional theory (DFT). We have investigated the preferential adsorption geometry, considering different adsorption sites and bonding configurations for the molecular adsorbate. We have also computed the electronic structure and bonding interactions by means of density of states (DOS), crystal orbital overlap population (OPDOS), and overlap population (OP) analysis. Our results show a small preference for Bridge and Top adsorption sites with the cyclopropane ring parallel to the surface. Pt-C equilibrium distance is ∼3.5 Å and a weak bond is formed during adsorption. The main bonding interaction comes from the Pt-H overlap population. Pt 5p z orbitals play an important role in the bonding between c-C 3 H 6 and the surface. We have found that Van der Waals (vdW) corrections to the energies improve the adsorption values without changing the preferential site geometries.
Reynolds, Cathryn
1989-01-01
The combined effect of the "Serrano" decision and Proposition 13 left California school districts with aging, overcrowded facilities. Chico schools won a $18.5 million general obligation bond election for facilities construction. With $11 billion needed for new school construction, California will need to tap local sources. A sidebar…
Money and bonds: an equivalence theorem
Narayana R. Kocherlakota
2007-01-01
This paper considers four models in which immortal agents face idiosyncratic shocks and trade only a single risk-free asset over time. The four models specify this single asset to be private bonds, public bonds, public money, or private money respectively. I prove that, given an equilibrium in one of these economies, it is possible to pick the exogenous elements in the other three economies so that there is an outcome-equivalent equilibrium in each of them. (The term ?exogenous variables? ref...
Directory of Open Access Journals (Sweden)
Katalin Martinás
2007-02-01
Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.
DIAGNOSIS OF FINANCIAL EQUILIBRIUM
Directory of Open Access Journals (Sweden)
SUCIU GHEORGHE
2013-04-01
Full Text Available The analysis based on the balance sheet tries to identify the state of equilibrium (disequilibrium that exists in a company. The easiest way to determine the state of equilibrium is by looking at the balance sheet and at the information it offers. Because in the balance sheet there are elements that do not reflect their real value, the one established on the market, they must be readjusted, and those elements which are not related to the ordinary operating activities must be eliminated. The diagnosis of financial equilibrium takes into account 2 components: financing sources (ownership equity, loaned, temporarily attracted. An efficient financial equilibrium must respect 2 fundamental requirements: permanent sources represented by ownership equity and loans for more than 1 year should finance permanent needs, and temporary resources should finance the operating cycle.
Equilibrium statistical mechanics
Mayer, J E
1968-01-01
The International Encyclopedia of Physical Chemistry and Chemical Physics, Volume 1: Equilibrium Statistical Mechanics covers the fundamental principles and the development of theoretical aspects of equilibrium statistical mechanics. Statistical mechanical is the study of the connection between the macroscopic behavior of bulk matter and the microscopic properties of its constituent atoms and molecules. This book contains eight chapters, and begins with a presentation of the master equation used for the calculation of the fundamental thermodynamic functions. The succeeding chapters highlight t
Computing Equilibrium Chemical Compositions
Mcbride, Bonnie J.; Gordon, Sanford
1995-01-01
Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.
Thorwirth, Sven; Mück, Leonie Anna; Gauss, Jürgen; Tamassia, Filippo; Lattanzi, Valerio; McCarthy, Michael C
2011-06-02
Silicon oxysulfide, OSiS, and seven of its minor isotopic species have been characterized for the first time in the gas phase at high spectral resolution by means of Fourier transform microwave spectroscopy. The equilibrium structure of OSiS has been determined from the experimental data using calculated vibration-rotation interaction constants. The structural parameters (rO-Si = 1.5064 Å and rSi-S = 1.9133 Å) are in very good agreement with values from high-level quantum chemical calculations using coupled-cluster techniques together with sophisticated additivity and extrapolation schemes. The bond distances in OSiS are very short in comparison with those in SiO and SiS. This unexpected finding is explained by the partial charges calculated for OSiS via a natural population analysis. The results suggest that electrostatic effects rather than multiple bonding are the key factors in determining bonding in this triatomic molecule. The data presented provide the spectroscopic information needed for radio astronomical searches for OSiS.
International Nuclear Information System (INIS)
Anderson, R.C.
1976-01-01
A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions
Kalgin, Igor V; Chekmarev, Sergei F; Karplus, Martin
2014-04-24
Simulations of first-passage folding of the antiparallel β-sheet miniprotein beta3s, which has been intensively studied under equilibrium conditions by A. Caflisch and co-workers, show that the kinetics and dynamics are significantly different from those for equilibrium folding. Because the folding of a protein in a living system generally corresponds to the former (i.e., the folded protein is stable and unfolding is a rare event), the difference is of interest. In contrast to equilibrium folding, the Ch-curl conformations become very rare because they contain unfavorable parallel β-strand arrangements, which are difficult to form dynamically due to the distant N- and C-terminal strands. At the same time, the formation of helical conformations becomes much easier (particularly in the early stage of folding) due to short-range contacts. The hydrodynamic descriptions of the folding reaction have also revealed that while the equilibrium flow field presented a collection of local vortices with closed "streamlines", the first-passage folding is characterized by a pronounced overall flow from the unfolded states to the native state. The flows through the locally stable structures Cs-or and Ns-or, which are conformationally close to the native state, are negligible due to detailed balance established between these structures and the native state. Although there are significant differences in the general picture of the folding process from the equilibrium and first-passage folding simulations, some aspects of the two are in agreement. The rate of transitions between the clusters of characteristic protein conformations in both cases decreases approximately exponentially with the distance between the clusters in the hydrogen bond distance space of collective variables, and the folding time distribution in the first-passage segments of the equilibrium trajectory is in good agreement with that for the first-passage folding simulations.
2015-01-01
Simulations of first-passage folding of the antiparallel β-sheet miniprotein beta3s, which has been intensively studied under equilibrium conditions by A. Caflisch and co-workers, show that the kinetics and dynamics are significantly different from those for equilibrium folding. Because the folding of a protein in a living system generally corresponds to the former (i.e., the folded protein is stable and unfolding is a rare event), the difference is of interest. In contrast to equilibrium folding, the Ch-curl conformations become very rare because they contain unfavorable parallel β-strand arrangements, which are difficult to form dynamically due to the distant N- and C-terminal strands. At the same time, the formation of helical conformations becomes much easier (particularly in the early stage of folding) due to short-range contacts. The hydrodynamic descriptions of the folding reaction have also revealed that while the equilibrium flow field presented a collection of local vortices with closed ”streamlines”, the first-passage folding is characterized by a pronounced overall flow from the unfolded states to the native state. The flows through the locally stable structures Cs-or and Ns-or, which are conformationally close to the native state, are negligible due to detailed balance established between these structures and the native state. Although there are significant differences in the general picture of the folding process from the equilibrium and first-passage folding simulations, some aspects of the two are in agreement. The rate of transitions between the clusters of characteristic protein conformations in both cases decreases approximately exponentially with the distance between the clusters in the hydrogen bond distance space of collective variables, and the folding time distribution in the first-passage segments of the equilibrium trajectory is in good agreement with that for the first-passage folding simulations. PMID:24669953
Eberl, Gérard
2016-08-01
The classical model of immunity posits that the immune system reacts to pathogens and injury and restores homeostasis. Indeed, a century of research has uncovered the means and mechanisms by which the immune system recognizes danger and regulates its own activity. However, this classical model does not fully explain complex phenomena, such as tolerance, allergy, the increased prevalence of inflammatory pathologies in industrialized nations and immunity to multiple infections. In this Essay, I propose a model of immunity that is based on equilibrium, in which the healthy immune system is always active and in a state of dynamic equilibrium between antagonistic types of response. This equilibrium is regulated both by the internal milieu and by the microbial environment. As a result, alteration of the internal milieu or microbial environment leads to immune disequilibrium, which determines tolerance, protective immunity and inflammatory pathology.
Love Thy Neighbor: Bonding versus Bridging Trust
Poulsen, Odile; Svendsen, Gert Tinggaard
2005-01-01
We study how trust is generated in society. In a two-sector model, we analyze two communities. In the bonding community people do not trust people outside their regular networks. In the bridging community people choose to trust strangers when they meet them. The hypothesis is that when trust is only bonding, it cannot accumulate. Our theoretical contribution is to show that when trust is only bonding then the economy’s level of trust moves to an unstable equilibrium that may under certain con...
Equilibrium shoreface profiles
DEFF Research Database (Denmark)
Aagaard, Troels; Hughes, Michael G
2017-01-01
Large-scale coastal behaviour models use the shoreface profile of equilibrium as a fundamental morphological unit that is translated in space to simulate coastal response to, for example, sea level oscillations and variability in sediment supply. Despite a longstanding focus on the shoreface...... profile and its relevance to predicting coastal response to changing environmental conditions, the processes and dynamics involved in shoreface equilibrium are still not fully understood. Here, we apply a process-based empirical sediment transport model, combined with morphodynamic principles to provide......; there is no tuning or calibration and computation times are short. It is therefore easily implemented with repeated iterations to manage uncertainty....
Microeconomics : Equilibrium and Efficiency
Ten Raa, T.
2013-01-01
Microeconomics: Equilibrium and Efficiency teaches how to apply microeconomic theory in an innovative, intuitive and concise way. Using real-world, empirical examples, this book not only covers the building blocks of the subject, but helps gain a broad understanding of microeconomic theory and
Differential Equation of Equilibrium
African Journals Online (AJOL)
user
ABSTRACT. Analysis of underground circular cylindrical shell is carried out in this work. The forth order differential equation of equilibrium, comparable to that of beam on elastic foundation, was derived from static principles on the assumptions of P. L Pasternak. Laplace transformation was used to solve the governing ...
Comments on equilibrium, transient equilibrium, and secular equilibrium in serial radioactive decay
International Nuclear Information System (INIS)
Prince, J.R.
1979-01-01
Equations describing serial radioactive decay are reviewed along with published descriptions or transient and secular equilibrium. It is shown that terms describing equilibrium are not used in the same way by various authors. Specific definitions are proposed; they suggest that secular equilibrium is a subset of transient equilibrium
Equilibrium and pre-equilibrium emissions in proton-induced ...
Indian Academy of Sciences (India)
necessary for the domain of fission-reactor technology for the calculation of nuclear transmutation ... tions occur in three stages: INC, pre-equilibrium and equilibrium (or compound. 344. Pramana ... In the evaporation phase of the reaction, the.
Gated equilibrium bloodpool scintigraphy
International Nuclear Information System (INIS)
Reinders Folmer, S.C.C.
1981-01-01
This thesis deals with the clinical applications of gated equilibrium bloodpool scintigraphy, performed with either a gamma camera or a portable detector system, the nuclear stethoscope. The main goal has been to define the value and limitations of noninvasive measurements of left ventricular ejection fraction as a parameter of cardiac performance in various disease states, both for diagnostic purposes as well as during follow-up after medical or surgical intervention. Secondly, it was attempted to extend the use of the equilibrium bloodpool techniques beyond the calculation of ejection fraction alone by considering the feasibility to determine ventricular volumes and by including the possibility of quantifying valvular regurgitation. In both cases, it has been tried to broaden the perspective of the observations by comparing them with results of other, invasive and non-invasive, procedures, in particular cardiac catheterization, M-mode echocardiography and myocardial perfusion scintigraphy. (Auth.)
Problems in equilibrium theory
Aliprantis, Charalambos D
1996-01-01
In studying General Equilibrium Theory the student must master first the theory and then apply it to solve problems. At the graduate level there is no book devoted exclusively to teaching problem solving. This book teaches for the first time the basic methods of proof and problem solving in General Equilibrium Theory. The problems cover the entire spectrum of difficulty; some are routine, some require a good grasp of the material involved, and some are exceptionally challenging. The book presents complete solutions to two hundred problems. In searching for the basic required techniques, the student will find a wealth of new material incorporated into the solutions. The student is challenged to produce solutions which are different from the ones presented in the book.
Equilibrium statistical mechanics
Jackson, E Atlee
2000-01-01
Ideal as an elementary introduction to equilibrium statistical mechanics, this volume covers both classical and quantum methodology for open and closed systems. Introductory chapters familiarize readers with probability and microscopic models of systems, while additional chapters describe the general derivation of the fundamental statistical mechanics relationships. The final chapter contains 16 sections, each dealing with a different application, ordered according to complexity, from classical through degenerate quantum statistical mechanics. Key features include an elementary introduction t
DEFF Research Database (Denmark)
Bollerslev, Tim; Sizova, Natalia; Tauchen, George
Stock market volatility clusters in time, carries a risk premium, is fractionally inte- grated, and exhibits asymmetric leverage effects relative to returns. This paper develops a first internally consistent equilibrium based explanation for these longstanding empirical facts. The model is cast i......, and the dynamic cross-correlations of the volatility measures with the returns calculated from actual high-frequency intra-day data on the S&P 500 aggregate market and VIX volatility indexes....
Molecular equilibrium with condensation
International Nuclear Information System (INIS)
Sharp, C.M.; Huebner, W.F.
1990-01-01
Minimization of the Gibbs energy of formation for species of chemical elements and compounds in their gas and condensed phases determines their relative abundances in a mixture in chemical equilibrium. The procedure is more general and more powerful than previous abundance determinations in multiphase astrophysical mixtures. Some results for astrophysical equations of state are presented, and the effects of condensation on opacity are briefly indicated. 18 refs
Bonding pathways of high-pressure chemical transformations
International Nuclear Information System (INIS)
Hu Anguang; Zhang Fan
2013-01-01
A three-stage bonding pathway towards high-pressure chemical transformations from molecular precursors or intermediate states has been identified by first-principles simulations. With the evolution of principal stress tensor components in the response of chemical bonding to compressive loading, the three stages can be defined as the van der Waals bonding destruction, a bond breaking and forming reaction, and equilibrium of new bonds. The three-stage bonding pathway leads to the establishment of a fundamental principle of chemical bonding under compression. It reveals that during high-pressure chemical transformation, electrons moving away from functional groups follow anti-addition, collision-free paths to form new bonds in counteracting the local stress confinement. In applying this principle, a large number of molecular precursors were identified for high-pressure chemical transformations, resulting in new materials. (fast track communication)
Noncompact Equilibrium Points and Applications
Directory of Open Access Journals (Sweden)
Zahra Al-Rumaih
2012-01-01
Full Text Available We prove an equilibrium existence result for vector functions defined on noncompact domain and we give some applications in optimization and Nash equilibrium in noncooperative game.
Equilibrium thermodynamics - Callen's postulational approach
Jongschaap, R.J.J.; Öttinger, Hans Christian
2001-01-01
In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates
MHD equilibrium with toroidal rotation
International Nuclear Information System (INIS)
Li, J.
1987-03-01
The present work attempts to formulate the equilibrium of axisymmetric plasma with purely toroidal flow within ideal MHD theory. In general, the inertial term Rho(v.Del)v caused by plasma flow is so complicated that the equilibrium equation is completely different from the Grad-Shafranov equation. However, in the case of purely toroidal flow the equilibrium equation can be simplified so that it resembles the Grad-Shafranov equation. Generally one arbitrary two-variable functions and two arbitrary single variable functions, instead of only four single-variable functions, are allowed in the new equilibrium equations. Also, the boundary conditions of the rotating (with purely toroidal fluid flow, static - without any fluid flow) equilibrium are the same as those of the static equilibrium. So numerically one can calculate the rotating equilibrium as a static equilibrium. (author)
Non-equilibrium effects in the plasmas
International Nuclear Information System (INIS)
Einfeld, D.
1975-01-01
Radial dependences of non-equilibrium effects of a He plasma were studied in a wall-stabilized short-time discharge. The electron density (nsub(e) = 2.5 x 10 22 m -3 ), the electron temperature and the equilibrium shift were determined by calculations of the continuum beam density and the beam densities of one He-I and one He-II line, respectively. In the discharge axis, the overpopulation factors of the ground state of He-I and He-II are about 75. As the distance to the axis increases, they increase for He-I and decrease for He-II. Except for the usual errors of measurement, the overpopulation factors found here correspond to those calculated from the balance equations (Drawin). (orig./AK) [de
Pluijm, van der R.; Vermeltfoort, A.Th.
1992-01-01
Bond strength is not a well defined property of masonry. Normally three types of bond strength can be distinguished: - tensile bond strength, - shear (and torsional) bond strength, - flexural bond strength. In this contribution the behaviour and strength of masonry in deformation controlled uniaxial
Analytic processing of distance.
Dopkins, Stephen; Galyer, Darin
2018-01-01
How does a human observer extract from the distance between two frontal points the component corresponding to an axis of a rectangular reference frame? To find out we had participants classify pairs of small circles, varying on the horizontal and vertical axes of a computer screen, in terms of the horizontal distance between them. A response signal controlled response time. The error rate depended on the irrelevant vertical as well as the relevant horizontal distance between the test circles with the relevant distance effect being larger than the irrelevant distance effect. The results implied that the horizontal distance between the test circles was imperfectly extracted from the overall distance between them. The results supported an account, derived from the Exemplar Based Random Walk model (Nosofsky & Palmieri, 1997), under which distance classification is based on the overall distance between the test circles, with relevant distance being extracted from overall distance to the extent that the relevant and irrelevant axes are differentially weighted so as to reduce the contribution of irrelevant distance to overall distance. The results did not support an account, derived from the General Recognition Theory (Ashby & Maddox, 1994), under which distance classification is based on the relevant distance between the test circles, with the irrelevant distance effect arising because a test circle's perceived location on the relevant axis depends on its location on the irrelevant axis, and with relevant distance being extracted from overall distance to the extent that this dependency is absent. Copyright © 2017 Elsevier B.V. All rights reserved.
Identifying apparent local stable isotope equilibrium in a complex non-equilibrium system.
He, Yuyang; Cao, Xiaobin; Wang, Jianwei; Bao, Huiming
2018-02-28
Although being out of equilibrium, biomolecules in organisms have the potential to approach isotope equilibrium locally because enzymatic reactions are intrinsically reversible. A rigorous approach that can describe isotope distribution among biomolecules and their apparent deviation from equilibrium state is lacking, however. Applying the concept of distance matrix in graph theory, we propose that apparent local isotope equilibrium among a subset of biomolecules can be assessed using an apparent fractionation difference (|Δα|) matrix, in which the differences between the observed isotope composition (δ') and the calculated equilibrium fractionation factor (1000lnβ) can be more rigorously evaluated than by using a previous approach for multiple biomolecules. We tested our |Δα| matrix approach by re-analyzing published data of different amino acids (AAs) in potato and in green alga. Our re-analysis shows that biosynthesis pathways could be the reason for an apparently close-to-equilibrium relationship inside AA families in potato leaves. Different biosynthesis/degradation pathways in tubers may have led to the observed isotope distribution difference between potato leaves and tubers. The analysis of data from green algae does not support the conclusion that AAs are further from equilibrium in glucose-cultured green algae than in the autotrophic ones. Application of the |Δα| matrix can help us to locate potential reversible reactions or reaction networks in a complex system such as a metabolic system. The same approach can be broadly applied to all complex systems that have multiple components, e.g. geochemical or atmospheric systems of early Earth or other planets. Copyright © 2017 John Wiley & Sons, Ltd.
Non-equilibrium thermodynamics
De Groot, Sybren Ruurds
1984-01-01
The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn
Deza, Michel Marie
2016-01-01
This 4th edition of the leading reference volume on distance metrics is characterized by updated and rewritten sections on some items suggested by experts and readers, as well a general streamlining of content and the addition of essential new topics. Though the structure remains unchanged, the new edition also explores recent advances in the use of distances and metrics for e.g. generalized distances, probability theory, graph theory, coding theory, data analysis. New topics in the purely mathematical sections include e.g. the Vitanyi multiset-metric, algebraic point-conic distance, triangular ratio metric, Rossi-Hamming metric, Taneja distance, spectral semimetric between graphs, channel metrization, and Maryland bridge distance. The multidisciplinary sections have also been supplemented with new topics, including: dynamic time wrapping distance, memory distance, allometry, atmospheric depth, elliptic orbit distance, VLBI distance measurements, the astronomical system of units, and walkability distance. Lea...
Amino Acid Patterns around Disulfide Bonds
Directory of Open Access Journals (Sweden)
Brett Drury
2010-11-01
Full Text Available Disulfide bonds provide an inexhaustible source of information on molecular evolution and biological specificity. In this work, we described the amino acid composition around disulfide bonds in a set of disulfide-rich proteins using appropriate descriptors, based on ANOVA (for all twenty natural amino acids or classes of amino acids clustered according to their chemical similarities and Scheffé (for the disulfide-rich proteins superfamilies statistics. We found that weakly hydrophilic and aromatic amino acids are quite abundant in the regions around disulfide bonds, contrary to aliphatic and hydrophobic amino acids. The density distributions (as a function of the distance to the center of the disulfide bonds for all defined entities presented an overall unimodal behavior: the densities are null at short distances, have maxima at intermediate distances and decrease for long distances. In the end, the amino acid environment around the disulfide bonds was found to be different for different superfamilies, allowing the clustering of proteins in a biologically relevant way, suggesting that this type of chemical information might be used as a tool to assess the relationship between very divergent sets of disulfide-rich proteins.
DEFF Research Database (Denmark)
Rimmer, Nina Røhr
2016-01-01
Undervisningsmateriale. A bond is a debt security, similar to an ”I Owe You document” (IOU). When you purchase a bond, you are lending money to a government, municipality, corporation, federal agency or other entity known as the issuer. In return for the loan, the issuer promises to pay you...... a specified rate of interest during the life of the bond and to repay the face value of the bond (the principal) when it “matures,” or comes due. Among the types of bonds you can choose from are: Government securities, municipal bonds, corporate bonds, mortgage and asset-backed securities, federal agency...... securities and foreign government bonds....
TD-DFT Insight into Photodissociation of Co-C Bond in Coenzyme B12
Directory of Open Access Journals (Sweden)
Pawel Michal Kozlowski
2014-02-01
Full Text Available Coenzyme B12 (AdoCbl is one of the most biologically active forms of vitamin B12, and continues to be a topic of active research interest. The mechanism of Co-C bond cleavage in AdoCbl, and the corresponding enzymatic reactions are however, not well understood at the molecular level. In this work, time-dependent density functional theory (TD-DFT has been applied to investigate the photodissociation of coenzyme B12. To reduce computational cost, while retaining the major spectroscopic features of AdoCbl, a truncated model based on ribosylcobalamin (RibCbl was used to simulate Co-C photodissociation. Equilibrium geometries of RibCbl were obtained by optimization at the DFT/BP86/TZVP level of theory, and low-lying excited states were calculated by TD-DFT using the same functional and basis set. The calculated singlet states, and absorption spectra were simulated in both the gas phase, and water, using the polarizable continuum model (PCM. Both spectra were in reasonable agreement with experimental data, and potential energy curves based on vertical excitations were plotted to explore the nature of Co-C bond dissociation. It was found that a repulsive 3(σCo-C → σ*Co-C triplet state became dissociative at large Co-C bond distance, similar to a previous observation for methylcobalamin (MeCbl. Furthermore, potential energy surfaces (PESs obtained as a function of both Co-CRib and Co-NIm distances, identify the S1 state as a key intermediate generated during photoexcitation of RibCbl, attributed to a mixture of a MLCT (metal-to-ligand charge transfer and a σ bonding-ligand charge transfer (SBLCT states.
Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G
2016-05-01
The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation. Copyright © 2016 Elsevier Ltd. All rights reserved.
Fluids with highly directional attractive forces. IV. Equilibrium polymerization
International Nuclear Information System (INIS)
Wertheim, M.S.
1986-01-01
The author investigates approximation methods for systems of molecules interacting by core repulsion and highly directional attraction due to several attraction sites. The force model chosen imitates a chemical bond by providing for bond saturation when binding occurs. The dense fluid is an equilibrium mixture of s-mers with mutual repulsion. The author uses a previously derived reformulation of statistical thermodynamics in which the particle species are monomeric units with a specified set of attraction sites bonded. Thermodynamic perturbation theory (TPT) and integral equations of two types are derived. The use of TPT is illustrated by explicit calculation for a molecular model with two attraction sites capable of forming chain and ring polymers. Successes and defects of TPT are discussed. The integral equations for pair correlations between particles of specified bonding include calculation of self-consistent densities of species. Methods of calculating thermodynamic properties from the solutions of integral equations are given
Wire bonding in microelectronics
Harman, George G
2010-01-01
Wire Bonding in Microelectronics, Third Edition, has been thoroughly revised to help you meet the challenges of today's small-scale and fine-pitch microelectronics. This authoritative guide covers every aspect of designing, manufacturing, and evaluating wire bonds engineered with cutting-edge techniques. In addition to gaining a full grasp of bonding technology, you'll learn how to create reliable bonds at exceedingly high yields, test wire bonds, solve common bonding problems, implement molecular cleaning methods, and much more. Coverage includes: Ultrasonic bonding systems and technologies, including high-frequency systems Bonding wire metallurgy and characteristics, including copper wire Wire bond testing Gold-aluminum intermetallic compounds and other interface reactions Gold and nickel-based bond pad plating materials and problems Cleaning to improve bondability and reliability Mechanical problems in wire bonding High-yield, fine-pitch, specialized-looping, soft-substrate, and extreme-temperature wire bo...
Training for Distance Teaching through Distance Learning.
Cadorath, Jill; Harris, Simon; Encinas, Fatima
2002-01-01
Describes a mixed-mode bachelor degree course in English language teaching at the Universidad Autonoma de Puebla (Mexico) that was designed to help practicing teachers write appropriate distance education materials by giving them the experience of being distance students. Includes a course outline and results of a course evaluation. (Author/LRW)
The Distance Standard Deviation
Edelmann, Dominic; Richards, Donald; Vogel, Daniel
2017-01-01
The distance standard deviation, which arises in distance correlation analysis of multivariate data, is studied as a measure of spread. New representations for the distance standard deviation are obtained in terms of Gini's mean difference and in terms of the moments of spacings of order statistics. Inequalities for the distance variance are derived, proving that the distance standard deviation is bounded above by the classical standard deviation and by Gini's mean difference. Further, it is ...
Stock vs. Bond Yields, and Demographic Fluctuations
DEFF Research Database (Denmark)
Gozluklu, Arie; Morin, Annaïg
This paper analyzes the strong comovement between real stock and nominal bond yields at generational (low) frequencies. Life-cycle patterns in savings behavior in an overlapping generations model with cash-in-advance constraints explain this persistent comovement between financial yields. We argue...... that the slow-evolving time-series covariation due to changing population age structure accounts for the equilibrium relation between stock and bond markets. As a result, by exploiting the demographic information into distant future, the forecasting performance of evaluation models improves. Finally, using...
Deza, Michel Marie
2014-01-01
This updated and revised third edition of the leading reference volume on distance metrics includes new items from very active research areas in the use of distances and metrics such as geometry, graph theory, probability theory and analysis. Among the new topics included are, for example, polyhedral metric space, nearness matrix problems, distances between belief assignments, distance-related animal settings, diamond-cutting distances, natural units of length, Heidegger’s de-severance distance, and brain distances. The publication of this volume coincides with intensifying research efforts into metric spaces and especially distance design for applications. Accurate metrics have become a crucial goal in computational biology, image analysis, speech recognition and information retrieval. Leaving aside the practical questions that arise during the selection of a ‘good’ distance function, this work focuses on providing the research community with an invaluable comprehensive listing of the main available di...
Equilibrium models and variational inequalities
Konnov, Igor
2007-01-01
The concept of equilibrium plays a central role in various applied sciences, such as physics (especially, mechanics), economics, engineering, transportation, sociology, chemistry, biology and other fields. If one can formulate the equilibrium problem in the form of a mathematical model, solutions of the corresponding problem can be used for forecasting the future behavior of very complex systems and, also, for correcting the the current state of the system under control. This book presents a unifying look on different equilibrium concepts in economics, including several models from related sciences.- Presents a unifying look on different equilibrium concepts and also the present state of investigations in this field- Describes static and dynamic input-output models, Walras, Cassel-Wald, spatial price, auction market, oligopolistic equilibrium models, transportation and migration equilibrium models- Covers the basics of theory and solution methods both for the complementarity and variational inequality probl...
Grinding kinetics and equilibrium states
Opoczky, L.; Farnady, F.
1984-01-01
The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.
Mental Equilibrium and Rational Emotions
Eyal Winter; Ignacio Garcia-Jurado; Jose Mendez-Naya; Luciano Mendez-Naya
2009-01-01
We introduce emotions into an equilibrium notion. In a mental equilibrium each player "selects" an emotional state which determines the player's preferences over the outcomes of the game. These preferences typically differ from the players' material preferences. The emotional states interact to play a Nash equilibrium and in addition each player's emotional state must be a best response (with respect to material preferences) to the emotional states of the others. We discuss the concept behind...
Para-equilibrium phase diagrams
International Nuclear Information System (INIS)
Pelton, Arthur D.; Koukkari, Pertti; Pajarre, Risto; Eriksson, Gunnar
2014-01-01
Highlights: • A rapidly cooled system may attain a state of para-equilibrium. • In this state rapidly diffusing elements reach equilibrium but others are immobile. • Application of the Phase Rule to para-equilibrium phase diagrams is discussed. • A general algorithm to calculate para-equilibrium phase diagrams is described. - Abstract: If an initially homogeneous system at high temperature is rapidly cooled, a temporary para-equilibrium state may result in which rapidly diffusing elements have reached equilibrium but more slowly diffusing elements have remained essentially immobile. The best known example occurs when homogeneous austenite is quenched. A para-equilibrium phase assemblage may be calculated thermodynamically by Gibbs free energy minimization under the constraint that the ratios of the slowly diffusing elements are the same in all phases. Several examples of calculated para-equilibrium phase diagram sections are presented and the application of the Phase Rule is discussed. Although the rules governing the geometry of these diagrams may appear at first to be somewhat different from those for full equilibrium phase diagrams, it is shown that in fact they obey exactly the same rules with the following provision. Since the molar ratios of non-diffusing elements are the same in all phases at para-equilibrium, these ratios act, as far as the geometry of the diagram is concerned, like “potential” variables (such as T, pressure or chemical potentials) rather than like “normal” composition variables which need not be the same in all phases. A general algorithm to calculate para-equilibrium phase diagrams is presented. In the limit, if a para-equilibrium calculation is performed under the constraint that no elements diffuse, then the resultant phase diagram shows the single phase with the minimum Gibbs free energy at any point on the diagram; such calculations are of interest in physical vapor deposition when deposition is so rapid that phase
A Partial Equilibrium Theory for Drops and Capillary Liquids
International Nuclear Information System (INIS)
Searcy, Alan W.; Beruto, Dario T.; Barberis, Fabrizio
2006-01-01
The two-century old theory of Young and Laplace retains a powerful influence on surface and interface studies because it quantitatively predicts the height of rise of capillary liquids from the contact angles of drops. But the classical theory does not acknowledge that equilibrium requires separate minimization of partial free energies of one-component liquids bonded to immiscible solids. We generalize a theorem of Gibbs and Curie to obtain a partial equilibrium (PE) theory that does so and that also predicts the height of capillary rise from contact angles of drops. Published observations and our own measurements of contact angles of water bonded to glass and Teflon surfaces support the conclusion of PE theory that contact angles of meniscuses and of drops are different dependent variables. PE theory provides thermodynamic and kinetic guidance to nanoscale processes that the classical theory obscures, as illustrated by examples in our concluding section
Székely, Gábor J.; Rizzo, Maria L.
2010-01-01
Distance correlation is a new class of multivariate dependence coefficients applicable to random vectors of arbitrary and not necessarily equal dimension. Distance covariance and distance correlation are analogous to product-moment covariance and correlation, but generalize and extend these classical bivariate measures of dependence. Distance correlation characterizes independence: it is zero if and only if the random vectors are independent. The notion of covariance with...
International Nuclear Information System (INIS)
Roh, Heui-Seol
2015-01-01
Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms
van Dam, Edwin R.; Koolen, Jack H.; Tanaka, Hajime
2016-01-01
This is a survey of distance-regular graphs. We present an introduction to distance-regular graphs for the reader who is unfamiliar with the subject, and then give an overview of some developments in the area of distance-regular graphs since the monograph 'BCN'[Brouwer, A.E., Cohen, A.M., Neumaier,
Fundamental functions in equilibrium thermodynamics
Horst, H.J. ter
In the standard presentations of the principles of Gibbsian equilibrium thermodynamics one can find several gaps in the logic. For a subject that is as widely used as equilibrium thermodynamics, it is of interest to clear up such questions of mathematical rigor. In this paper it is shown that using
A proximal point algorithm with generalized proximal distances to BEPs
Bento, G. C.; Neto, J. X. Cruz; Lopes, J. O.; Soares Jr, P. A.; Soubeyran, A.
2014-01-01
We consider a bilevel problem involving two monotone equilibrium bifunctions and we show that this problem can be solved by a proximal point method with generalized proximal distances. We propose a framework for the convergence analysis of the sequences generated by the algorithm. This class of problems is very interesting because it covers mathematical programs and optimization problems under equilibrium constraints. As an application, we consider the problem of the stability and change dyna...
Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur
DEFF Research Database (Denmark)
Du, Lin; Tang, Shanshan; Hansen, Anne Schou
2017-01-01
complexes are more stable and form stronger hydrogen bonds compared to complexes with MeOH and EtOH, which are comparable, and only for the stronger hydrogen bond donor (TFE) are the small differences in acceptor molecules highlighted. The equilibrium constant for complex formation was determined from......The Osingle bondH⋯O and Osingle bondH⋯S hydrogen bonds were investigated by gas phase FTIR spectroscopy of alcohol–dimethylether and alcohol–dimethylsulfide complexes, with alcohols of increasing hydrogen bond donor strength; methanol (MeOH), ethanol (EtOH) and 2,2,2-trifluoroethanol (TFE). The TFE...
A Multiperiod Equilibrium Pricing Model
Directory of Open Access Journals (Sweden)
Minsuk Kwak
2014-01-01
Full Text Available We propose an equilibrium pricing model in a dynamic multiperiod stochastic framework with uncertain income. There are one tradable risky asset (stock/commodity, one nontradable underlying (temperature, and also a contingent claim (weather derivative written on the tradable risky asset and the nontradable underlying in the market. The price of the contingent claim is priced in equilibrium by optimal strategies of representative agent and market clearing condition. The risk preferences are of exponential type with a stochastic coefficient of risk aversion. Both subgame perfect strategy and naive strategy are considered and the corresponding equilibrium prices are derived. From the numerical result we examine how the equilibrium prices vary in response to changes in model parameters and highlight the importance of our equilibrium pricing principle.
Non-equilibrium phase transitions
Henkel, Malte; Lübeck, Sven
2009-01-01
This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.
Persistent local chemical bonds in intermetallic phase formation
Energy Technology Data Exchange (ETDEWEB)
Bai, Yanwen [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Bian, Xiufang, E-mail: xfbian@sdu.edu.cn [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Qin, Xubo [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Zhang, Shuo; Huang, Yuying [Shanghai Synchrotron Radiation Facilities, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China)
2014-05-01
We found a direct evidence for the existence of the local chemical Bi–In bonds in the BiIn{sub 2} melt. These bonds are strong and prevail, dominating the structure evolution of the intermetallic clusters. From the local structure of the melt-quenched BiIn{sub 2} ribbon, the chemical Bi–In bonds strengthen compared with those in the equilibrium solidified alloy. The chemical bonds in BiIn{sub 2} melt retain to solid during a rapid quenching process. The results suggest that the intermetallic clusters in the melt evolve into the as-quenched intermetallic phase, and the intermetallic phase originates from the chemical bonds between unlike atoms in the melt. The chemical bonds preserve the chemical ordered clusters and dominate the clusters evolution.
Haptic Discrimination of Distance
van Beek, Femke E.; Bergmann Tiest, Wouter M.; Kappers, Astrid M. L.
2014-01-01
While quite some research has focussed on the accuracy of haptic perception of distance, information on the precision of haptic perception of distance is still scarce, particularly regarding distances perceived by making arm movements. In this study, eight conditions were measured to answer four main questions, which are: what is the influence of reference distance, movement axis, perceptual mode (active or passive) and stimulus type on the precision of this kind of distance perception? A discrimination experiment was performed with twelve participants. The participants were presented with two distances, using either a haptic device or a real stimulus. Participants compared the distances by moving their hand from a start to an end position. They were then asked to judge which of the distances was the longer, from which the discrimination threshold was determined for each participant and condition. The precision was influenced by reference distance. No effect of movement axis was found. The precision was higher for active than for passive movements and it was a bit lower for real stimuli than for rendered stimuli, but it was not affected by adding cutaneous information. Overall, the Weber fraction for the active perception of a distance of 25 or 35 cm was about 11% for all cardinal axes. The recorded position data suggest that participants, in order to be able to judge which distance was the longer, tried to produce similar speed profiles in both movements. This knowledge could be useful in the design of haptic devices. PMID:25116638
Haptic discrimination of distance.
Directory of Open Access Journals (Sweden)
Femke E van Beek
Full Text Available While quite some research has focussed on the accuracy of haptic perception of distance, information on the precision of haptic perception of distance is still scarce, particularly regarding distances perceived by making arm movements. In this study, eight conditions were measured to answer four main questions, which are: what is the influence of reference distance, movement axis, perceptual mode (active or passive and stimulus type on the precision of this kind of distance perception? A discrimination experiment was performed with twelve participants. The participants were presented with two distances, using either a haptic device or a real stimulus. Participants compared the distances by moving their hand from a start to an end position. They were then asked to judge which of the distances was the longer, from which the discrimination threshold was determined for each participant and condition. The precision was influenced by reference distance. No effect of movement axis was found. The precision was higher for active than for passive movements and it was a bit lower for real stimuli than for rendered stimuli, but it was not affected by adding cutaneous information. Overall, the Weber fraction for the active perception of a distance of 25 or 35 cm was about 11% for all cardinal axes. The recorded position data suggest that participants, in order to be able to judge which distance was the longer, tried to produce similar speed profiles in both movements. This knowledge could be useful in the design of haptic devices.
Interface Simulation Distances
Directory of Open Access Journals (Sweden)
Pavol Černý
2012-10-01
Full Text Available The classical (boolean notion of refinement for behavioral interfaces of system components is the alternating refinement preorder. In this paper, we define a distance for interfaces, called interface simulation distance. It makes the alternating refinement preorder quantitative by, intuitively, tolerating errors (while counting them in the alternating simulation game. We show that the interface simulation distance satisfies the triangle inequality, that the distance between two interfaces does not increase under parallel composition with a third interface, and that the distance between two interfaces can be bounded from above and below by distances between abstractions of the two interfaces. We illustrate the framework, and the properties of the distances under composition of interfaces, with two case studies.
DEFF Research Database (Denmark)
Larsen, Gunvor Riber
The environmental impact of tourism mobility is linked to the distances travelled in order to reach a holiday destination, and with tourists travelling more and further than previously, an understanding of how the tourists view the distance they travel across becomes relevant. Based on interviews...... contribute to an understanding of how it is possible to change tourism travel behaviour towards becoming more sustainable. How tourists 'consume distance' is discussed, from the practical level of actually driving the car or sitting in the air plane, to the symbolic consumption of distance that occurs when...... travelling on holiday becomes part of a lifestyle and a social positioning game. Further, different types of tourist distance consumers are identified, ranging from the reluctant to the deliberate and nonchalant distance consumers, who display very differing attitudes towards the distance they all travel...
Hot Tip: Nominal Exchange Rates and Inflation Indexed Bond Yields
Richard H. Clarida
2013-01-01
This paper derives a structural relationship between the nominal exchange rate, national price levels, and observed yields on long maturity inflation - indexed bonds. This relationship can be interpreted as defining the fair value of the exchange rate that will prevail in any model or real world economy in which inflation indexed bonds are traded. An advantage of our derivation is that it does not require restrictive assumptions on financial market equilibrium to be operational. We take our t...
... the future bonding of the child and parent. Adoptive parents may be concerned about bonding with their ... general emotional support. And it's OK to ask family members and friends for help in the days — ...
Non-equilibrium supramolecular polymerization.
Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M
2017-09-18
Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.
Spontaneity and Equilibrium: Why "?G Equilibrium" Are Incorrect
Raff, Lionel M.
2014-01-01
The fundamental criteria for chemical reactions to be spontaneous in a given direction are generally incorrectly stated as ?G equilibrium are also misstated as being ?G = 0 or ?A = 0. Following a brief review of the…
Anil V. Mishra; Umaru B. Conteh
2014-01-01
This paper constructs the float adjusted measure of home bias and explores the determinants of bond home bias by employing the International Monetary Fund's high quality dataset (2001 to 2009) on cross-border bond investment. The paper finds that Australian investors' prefer investing in countries with higher economic development and more developed bond markets. Exchange rate volatility appears to be an impediment for cross-border bond investment. Investors prefer investing in countries with ...
Helical axis stellarator equilibrium model
International Nuclear Information System (INIS)
Koniges, A.E.; Johnson, J.L.
1985-02-01
An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift
Purgel, Mihály; Maliarik, Mikhail; Glaser, Julius; Platas-Iglesias, Carlos; Persson, Ingmar; Tóth, Imre
2011-07-04
The structure and bonding of a new Pt-Tl bonded complex formed in dimethylsulfoxide (dmso), (CN)(4)Pt-Tl(dmso)(5)(+), have been studied by multinuclear NMR and UV-vis spectroscopies, and EXAFS measurements in combination with density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations. This complex is formed following the equilibrium reaction Pt(CN)(4)(2-) + Tl(dmso)(6)(3+) ⇆ (CN)(4)Pt-Tl(dmso)(5)(+) + dmso. The stability constant of the Pt-Tl bonded species, as determined using (13)C NMR spectroscopy, amounts to log K = 2.9 ± 0.2. The (NC)(4)Pt-Tl(dmso)(5)(+) species constitutes the first example of a Pt-Tl bonded cyanide complex in which the sixth coordination position around Pt (in trans with respect to the Tl atom) is not occupied. The spectral parameters confirm the formation of the metal-metal bond, but differ substantially from those measured earlier in aqueous solution for complexes (CN)(5)Pt-Tl(CN)(n)(H(2)O)(x)(n-) (n = 0-3). The (205) Tl NMR chemical shift, δ = 75 ppm, is at extraordinary high field, while spin-spin coupling constant, (1)J(Pt-Tl) = 93 kHz, is the largest measured to date for a Pt-Tl bond in the absence of supporting bridging ligands. The absorption spectrum is dominated by two strong absorption bands in the UV region that are assigned to MMCT (Pt → Tl) and LMCT (dmso → Tl) bands, respectively, on the basis of MO and TDDFT calculations. The solution of the complex has a bright yellow color as a result of a shoulder present on the low energy side of the band at 355 nm. The geometry of the (CN)(4)Pt-Tl core can be elucidated from NMR data, but the particular stoichiometry and structure involving the dmso ligands are established by using Tl and Pt L(III)-edge EXAFS measurements. The Pt-Tl bond distance is 2.67(1) Å, the Tl-O bond distance is 2.282(6) Å, and the Pt-C-N entity is linear with Pt-C and Pt···N distances amounting to 1.969(6) and 3.096(6) Å, respectively. Geometry optimizations on
Chemical bond fundamental aspects of chemical bonding
Frenking, Gernot
2014-01-01
This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica
Traversing psychological distance.
Liberman, Nira; Trope, Yaacov
2014-07-01
Traversing psychological distance involves going beyond direct experience, and includes planning, perspective taking, and contemplating counterfactuals. Consistent with this view, temporal, spatial, and social distances as well as hypotheticality are associated, affect each other, and are inferred from one another. Moreover, traversing all distances involves the use of abstraction, which we define as forming a belief about the substitutability for a specific purpose of subjectively distinct objects. Indeed, across many instances of both abstraction and psychological distancing, more abstract constructs are used for more distal objects. Here, we describe the implications of this relation for prediction, choice, communication, negotiation, and self-control. We ask whether traversing distance is a general mental ability and whether distance should replace expectancy in expected-utility theories. Copyright © 2014 Elsevier Ltd. All rights reserved.
Ziegler, Gerhard
2011-01-01
Distance protection provides the basis for network protection in transmission systems and meshed distribution systems. This book covers the fundamentals of distance protection and the special features of numerical technology. The emphasis is placed on the application of numerical distance relays in distribution and transmission systems.This book is aimed at students and engineers who wish to familiarise themselves with the subject of power system protection, as well as the experienced user, entering the area of numerical distance protection. Furthermore it serves as a reference guide for s
Numerical Verification Of Equilibrium Chemistry
International Nuclear Information System (INIS)
Piro, Markus; Lewis, Brent; Thompson, William T.; Simunovic, Srdjan; Besmann, Theodore M.
2010-01-01
A numerical tool is in an advanced state of development to compute the equilibrium compositions of phases and their proportions in multi-component systems of importance to the nuclear industry. The resulting software is being conceived for direct integration into large multi-physics fuel performance codes, particularly for providing boundary conditions in heat and mass transport modules. However, any numerical errors produced in equilibrium chemistry computations will be propagated in subsequent heat and mass transport calculations, thus falsely predicting nuclear fuel behaviour. The necessity for a reliable method to numerically verify chemical equilibrium computations is emphasized by the requirement to handle the very large number of elements necessary to capture the entire fission product inventory. A simple, reliable and comprehensive numerical verification method is presented which can be invoked by any equilibrium chemistry solver for quality assurance purposes.
Equilibrium ignition for ICF capsules
International Nuclear Information System (INIS)
Lackner, K.S.; Colgate, S.A.; Johnson, N.L.; Kirkpatrick, R.C.; Menikoff, R.; Petschek, A.G.
1993-01-01
There are two fundamentally different approaches to igniting DT fuel in an ICF capsule which can be described as equilibrium and hot spot ignition. In both cases, a capsule which can be thought of as a pusher containing the DT fuel is imploded until the fuel reaches ignition conditions. In comparing high-gain ICF targets using cryogenic DT for a pusher with equilibrium ignition targets using high-Z pushers which contain the radiation. The authors point to the intrinsic advantages of the latter. Equilibrium or volume ignition sacrifices high gain for lower losses, lower ignition temperature, lower implosion velocity and lower sensitivity of the more robust capsule to small fluctuations and asymmetries in the drive system. The reduction in gain is about a factor of 2.5, which is small enough to make the more robust equilibrium ignition an attractive alternative
On the local equilibrium condition
International Nuclear Information System (INIS)
Hessling, H.
1994-11-01
A physical system is in local equilibrium if it cannot be distinguished from a global equilibrium by ''infinitesimally localized measurements''. This should be a natural characterization of local equilibrium, but the problem is to give a precise meaning to the qualitative phrase ''infinitesimally localized measurements''. A solution is suggested in form of a Local Equilibrium Condition (LEC), which can be applied to linear relativistic quantum field theories but not directly to selfinteracting quantum fields. The concept of local temperature resulting from LEC is compared to an old approach to local temperature based on the principle of maximal entropy. It is shown that the principle of maximal entropy does not always lead to physical states if it is applied to relativistic quantum field theories. (orig.)
Directory of Open Access Journals (Sweden)
Gabriel J. Turbay
2011-03-01
Full Text Available The strategic equilibrium of an N-person cooperative game with transferable utility is a system composed of a cover collection of subsets of N and a set of extended imputations attainable through such equilibrium cover. The system describes a state of coalitional bargaining stability where every player has a bargaining alternative against any other player to support his corresponding equilibrium claim. Any coalition in the sable system may form and divide the characteristic value function of the coalition as prescribed by the equilibrium payoffs. If syndicates are allowed to form, a formed coalition may become a syndicate using the equilibrium payoffs as disagreement values in bargaining for a part of the complementary coalition incremental value to the grand coalition when formed. The emergent well known-constant sum derived game in partition function is described in terms of parameters that result from incumbent binding agreements. The strategic-equilibrium corresponding to the derived game gives an equal value claim to all players. This surprising result is alternatively explained in terms of strategic-equilibrium based possible outcomes by a sequence of bargaining stages that when the binding agreements are in the right sequential order, von Neumann and Morgenstern (vN-M non-discriminatory solutions emerge. In these solutions a preferred branch by a sufficient number of players is identified: the weaker players syndicate against the stronger player. This condition is referred to as the stronger player paradox. A strategic alternative available to the stronger players to overcome the anticipated not desirable results is to voluntarily lower his bargaining equilibrium claim. In doing the original strategic equilibrium is modified and vN-M discriminatory solutions may occur, but also a different stronger player may emerge that has eventually will have to lower his equilibrium claim. A sequence of such measures converges to the equal
Thermodynamic evolution far from equilibrium
Khantuleva, Tatiana A.
2018-05-01
The presented model of thermodynamic evolution of an open system far from equilibrium is based on the modern results of nonequilibrium statistical mechanics, the nonlocal theory of nonequilibrium transport developed by the author and the Speed Gradient principle introduced in the theory of adaptive control. Transition to a description of the system internal structure evolution at the mesoscopic level allows a new insight at the stability problem of non-equilibrium processes. The new model is used in a number of specific tasks.
Equilibrium figures for beta Lyrae type disks
International Nuclear Information System (INIS)
Wilson, R.E.
1981-01-01
Accumulated evidence for a geometrically and optically thick disk in the β Lyrae system has now established the disk's basic external configuration. Since the disk has been constant in its main properties over the historical interval of β Lyrae observations and also seems to have a basically well-defined photosphere, it is now time to being consideration of its sturcture. Here, we compute equilibrium figures for self-gravitating disks around stars in binary systems as a start toward eventual computation of complete disk models. A key role is played by centrifugally limited rotation of the central star, which would naturally arise late in the rapid phase of mass transfer. Beta Lyrae is thus postulated to be a double-contact binary, which makes possible nonarbitrary separation of star and disk into separate structures. The computed equilibrium figures are three-dimensional, as the gravitation of the second star is included. Under the approximation that the gravitational potential of the disk is that of a thin wire and that the local disk angular velocity is proportional to u/sup n/ (u = distance from rotation axis), we comptue the total potential and locate equipotential surfaces. The centrifugal potential is written in a particularly convenient form which permits one to change the rotation law discontinuously (for example, at the star-disk coupling point) while ensuring that centrifugal potential and centrifigual force are continuous functions of position. With such a one-parameter rotation law, one can find equilibrium disk figures with dimensions very similar to those found in β Lyrae, but considerations of internal consistency demand at least a two-parameter law
Relevance of equilibrium in multifragmentation
International Nuclear Information System (INIS)
Furuta, Takuya; Ono, Akira
2009-01-01
The relevance of equilibrium in a multifragmentation reaction of very central 40 Ca + 40 Ca collisions at 35 MeV/nucleon is investigated by using simulations of antisymmetrized molecular dynamics (AMD). Two types of ensembles are compared. One is the reaction ensemble of the states at each reaction time t in collision events simulated by AMD, and the other is the equilibrium ensemble prepared by solving the AMD equation of motion for a many-nucleon system confined in a container for a long time. The comparison of the ensembles is performed for the fragment charge distribution and the excitation energies. Our calculations show that there exists an equilibrium ensemble that well reproduces the reaction ensemble at each reaction time t for the investigated period 80≤t≤300 fm/c. However, there are some other observables that show discrepancies between the reaction and equilibrium ensembles. These may be interpreted as dynamical effects in the reaction. The usual static equilibrium at each instant is not realized since any equilibrium ensemble with the same volume as that of the reaction system cannot reproduce the fragment observables
Shape characteristics of equilibrium and non-equilibrium fractal clusters.
Mansfield, Marc L; Douglas, Jack F
2013-07-28
It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other
ORDERED WEIGHTED DISTANCE MEASURE
Institute of Scientific and Technical Information of China (English)
Zeshui XU; Jian CHEN
2008-01-01
The aim of this paper is to develop an ordered weighted distance (OWD) measure, which is thegeneralization of some widely used distance measures, including the normalized Hamming distance, the normalized Euclidean distance, the normalized geometric distance, the max distance, the median distance and the min distance, etc. Moreover, the ordered weighted averaging operator, the generalized ordered weighted aggregation operator, the ordered weighted geometric operator, the averaging operator, the geometric mean operator, the ordered weighted square root operator, the square root operator, the max operator, the median operator and the min operator axe also the special cases of the OWD measure. Some methods depending on the input arguments are given to determine the weights associated with the OWD measure. The prominent characteristic of the OWD measure is that it can relieve (or intensify) the influence of unduly large or unduly small deviations on the aggregation results by assigning them low (or high) weights. This desirable characteristic makes the OWD measure very suitable to be used in many actual fields, including group decision making, medical diagnosis, data mining, and pattern recognition, etc. Finally, based on the OWD measure, we develop a group decision making approach, and illustrate it with a numerical example.
Cohen, A.M.; Beineke, L.W.; Wilson, R.J.; Cameron, P.J.
2004-01-01
In this chapter we investigate the classification of distance-transitive graphs: these are graphs whose automorphism groups are transitive on each of the sets of pairs of vertices at distance i, for i = 0, 1,.... We provide an introduction into the field. By use of the classification of finite
Distance Education in Entwicklungslandern.
German Foundation for International Development, Bonn (West Germany).
Seminar and conference reports and working papers on distance education of adults, which reflect the experiences of many countries, are presented. Contents include the draft report of the 1979 International Seminar on Distance Education held in Addis Ababa, Ethiopia, which was jointly sponsored by the United Nations Economic Commission for Africa…
Deza, Michel Marie
2009-01-01
Distance metrics and distances have become an essential tool in many areas of pure and applied Mathematics. This title offers both independent introductions and definitions, while at the same time making cross-referencing easy through hyperlink-like boldfaced references to original definitions.
Directory of Open Access Journals (Sweden)
Dr. Nursel Selver RUZGAR,
2004-04-01
Full Text Available Distance Education in Turkey Assistant Professor Dr. Nursel Selver RUZGAR Technical Education Faculty Marmara University, TURKEY ABSTRACT Many countries of the world are using distance education with various ways, by internet, by post and by TV. In this work, development of distance education in Turkey has been presented from the beginning. After discussing types and applications for different levels of distance education in Turkey, the distance education was given in the cultural aspect of the view. Then, in order to create the tendencies and thoughts of graduates of Higher Education Institutions and Distance Education Institutions about being competitors in job markets, sufficiency of education level, advantages for education system, continuing education in different Institutions, a face-to-face survey was applied to 1284 graduates, 958 from Higher Education Institutions and 326 from Distance Education Institutions. The results were evaluated and discussed. In the last part of this work, suggestions to become widespread and improve the distance education in the country were made.
Effective Fragment Potential Method for H-Bonding: How To Obtain Parameters for Nonrigid Fragments.
Dubinets, Nikita; Slipchenko, Lyudmila V
2017-07-20
Accuracy of the effective fragment potential (EFP) method was explored for describing intermolecular interaction energies in three dimers with strong H-bonded interactions, formic acid, formamide, and formamidine dimers, which are a part of HBC6 database of noncovalent interactions. Monomer geometries in these dimers change significantly as a function of intermonomer separation. Several EFP schemes were considered, in which fragment parameters were prepared for a fragment in its gas-phase geometry or recomputed for each unique fragment geometry. Additionally, a scheme in which gas-phase fragment parameters are shifted according to relaxed fragment geometries is introduced and tested. EFP data are compared against the coupled cluster with single, double, and perturbative triple excitations (CCSD(T)) method in a complete basis set (CBS) and the symmetry adapted perturbation theory (SAPT). All considered EFP schemes provide a good agreement with CCSD(T)/CBS for binding energies at equilibrium separations, with discrepancies not exceeding 2 kcal/mol. However, only the schemes that utilize relaxed fragment geometries remain qualitatively correct at shorter than equilibrium intermolecular distances. The EFP scheme with shifted parameters behaves quantitatively similar to the scheme in which parameters are recomputed for each monomer geometry and thus is recommended as a computationally efficient approach for large-scale EFP simulations of flexible systems.
Amplification of Chirality in Hydrogen-Bonded Tetrarosette Helices
Mateos timoneda, Miguel; Crego Calama, Mercedes; Reinhoudt, David
2006-01-01
The amplification of chirality in hydrogen-bonded tetrarosette assemblies under thermodynamic equilibrium is described. The extent of the chiral amplification obtained by means of “sergeants-and-soldiers” experiments depends only on the structure of the assembly and it is independent of the
Macroeconomic Stability in a Model with Bond Transaction Services
Directory of Open Access Journals (Sweden)
Massimiliano Marzo
2018-02-01
Full Text Available Cochrane (2014 shows that high-powered money balances and short-term government bonds can be considered as perfect substitutes for the U.S economy during the past twenty years. We build on this claim and consider a variant of the standard cashless new-Keynesian model with two types of government bonds, which can be thought of as short- and long-term bonds. The first one has a macroeconomic role in the sense that it provides transaction services in addition to generating a yield. The other type of government bond pays only an interest rate. Consistent with previous findings, the Taylor principle is not a panacea for equilibrium determinacy in a model without money. When the government bond market matters beyond the need for fiscal solvency, monetary policy rules do not need to comply with the Taylor principle for unique equilibria to exist.
Equilibrium Structure of Manganese Trifluoride (MnF3) Molecule
International Nuclear Information System (INIS)
Caliskan, M.
2004-01-01
The symmetry lowering in manganese trifluoride molecule due to Jahn-Teller distortion was demonstrated in both the experimental and computational results. The molecule does not have D 3 h (or C 3 v) symmetry, rather it has C 2 v symmetry it has been shown from electron-diffraction measurements, that even a molecule of D 3 h symmetry in its equilibrium geometry would appear as having C 3 v symmetry. The manganese trifluoride molecular structures is an example of concerted applications of electron diffraction experiment and computation. It was found two lower energy structures with C 2 v symmetry, one corresponding to the ground state and another corresponding to the transition state. In this work we have calculate the equilibrium structure of the MnF 3 in the C 2 v configuration using the Interionic Force Model. We have compared our results for equilibrium bond lengths and bond angles with measured values from electron diffraction and with the results of quantum chemical calculations. The agreement can be considered as very reasonable
Local Equilibrium and Retardation Revisited.
Hansen, Scott K; Vesselinov, Velimir V
2018-01-01
In modeling solute transport with mobile-immobile mass transfer (MIMT), it is common to use an advection-dispersion equation (ADE) with a retardation factor, or retarded ADE. This is commonly referred to as making the local equilibrium assumption (LEA). Assuming local equilibrium, Eulerian textbook treatments derive the retarded ADE, ostensibly exactly. However, other authors have presented rigorous mathematical derivations of the dispersive effect of MIMT, applicable even in the case of arbitrarily fast mass transfer. We resolve the apparent contradiction between these seemingly exact derivations by adopting a Lagrangian point of view. We show that local equilibrium constrains the expected time immobile, whereas the retarded ADE actually embeds a stronger, nonphysical, constraint: that all particles spend the same amount of every time increment immobile. Eulerian derivations of the retarded ADE thus silently commit the gambler's fallacy, leading them to ignore dispersion due to mass transfer that is correctly modeled by other approaches. We then present a particle tracking simulation illustrating how poor an approximation the retarded ADE may be, even when mobile and immobile plumes are continually near local equilibrium. We note that classic "LEA" (actually, retarded ADE validity) criteria test for insignificance of MIMT-driven dispersion relative to hydrodynamic dispersion, rather than for local equilibrium. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.
Block correlated second order perturbation theory with a generalized valence bond reference function
International Nuclear Information System (INIS)
Xu, Enhua; Li, Shuhua
2013-01-01
The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a “multi-orbital” block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Møller–Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods
Role of contact bonding on electronic transport in metal-carbon nanotube-metal systems
International Nuclear Information System (INIS)
Deretzis, I; La Magna, A
2006-01-01
We have investigated the effects of the interfacial bond arrangement on the electronic transport features of metal-nanotube-metal systems. The transport properties of finite, defect-free armchair and zigzag single-walled carbon nanotubes attached to Au(111) metallic contacts have been calculated by means of the non-equilibrium Green functional formalism with the tight-binding and the extended Hueckel Hamiltonians. Our calculations show that the electrode material is not the only factor which rules contact transparency. Indeed, for the same electrode, but changing nanotube helicities, we have observed an overall complex behaviour of the transmission spectra due to band mixing and interference. A comparison of the two models shows that the tight-binding approach fails to give a satisfactory representation of the transmission function when a more accurate description of the C-C and Au-C chemical bonds has to be considered. We have furthermore examined the effect of interface geometry variance on conduction and found that the contact-nanotube distance has a significant impact, while the contact-nanotube symmetry plays a marginal, yet evident role
Xu, Enhua; Li, Shuhua
2013-11-07
The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a "multi-orbital" block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Mo̸ller-Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.
Noland, R.A.; Walker, D.E.
1961-06-13
A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.
Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G
2014-01-01
This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks. Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material. However, copper wire bonding has several process and reliability concerns due to its material properties. Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation. In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed. The book also discusses best practices and re...
Equilibrium Arrival Times to Queues
DEFF Research Database (Denmark)
Breinbjerg, Jesper; Østerdal, Lars Peter
We consider a non-cooperative queueing environment where a finite number of customers independently choose when to arrive at a queueing system that opens at a given point in time and serves customers on a last-come first-serve preemptive-resume (LCFS-PR) basis. Each customer has a service time...... requirement which is identically and independently distributed according to some general probability distribution, and they want to complete service as early as possible while minimizing the time spent in the queue. In this setting, we establish the existence of an arrival time strategy that constitutes...... a symmetric (mixed) Nash equilibrium, and show that there is at most one symmetric equilibrium. We provide a numerical method to compute this equilibrium and demonstrate by a numerical example that the social effciency can be lower than the effciency induced by a similar queueing system that serves customers...
Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding
Zhang, Xiaoliang; Gao, Yufei; Chen, Yuli; Hu, Ming
2016-01-01
Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers. PMID:26911859
Motivation in Distance Leaming
Directory of Open Access Journals (Sweden)
Daniela Brečko
1996-12-01
Full Text Available It is estimated that motivation is one of the most important psychological functions making it possible for people to leam even in conditions that do not meet their needs. In distance learning, a form of autonomous learning, motivation is of outmost importance. When adopting this method in learning an individual has to stimulate himself and take learning decisions on his or her own. These specific characteristics of distance learning should be taken into account. This all different factors maintaining the motivation of participants in distance learning are to be included. Moreover, motivation in distance learning can be stimulated with specific learning materials, clear instructions and guide-lines, an efficient feed back, personal contact between tutors and participants, stimulating learning letters, telephone calls, encouraging letters and through maintaining a positive relationship between tutor and participant.
Spontaneity and Equilibrium: Why "?G Equilibrium" Are Incorrect
Raff, Lionel M.
2014-01-01
The fundamental criteria for chemical reactions to be spontaneous in a given direction are generally incorrectly stated as ?G chemistry textbooks and even in some more advanced texts. Similarly, the criteria for equilibrium are also misstated as being ?G = 0 or ?A = 0. Following a brief review of the…
Equilibrium problems for Raney densities
Forrester, Peter J.; Liu, Dang-Zheng; Zinn-Justin, Paul
2015-07-01
The Raney numbers are a class of combinatorial numbers generalising the Fuss-Catalan numbers. They are indexed by a pair of positive real numbers (p, r) with p > 1 and 0 0 and similarly use both methods to identify the equilibrium problem for (p, r) = (θ/q + 1, 1/q), θ > 0 and q \\in Z+ . The Wiener-Hopf method is used to extend the latter to parameters (p, r) = (θ/q + 1, m + 1/q) for m a non-negative integer, and also to identify the equilibrium problem for a family of densities with moments given by certain binomial coefficients.
Equilibrium in a Production Economy
Energy Technology Data Exchange (ETDEWEB)
Chiarolla, Maria B., E-mail: maria.chiarolla@uniroma1.it [Universita di Roma ' La Sapienza' , Dipartimento di Metodi e Modelli per l' Economia, il Territorio e la Finanza, Facolta di Economia (Italy); Haussmann, Ulrich G., E-mail: uhaus@math.ubc.ca [University of British Columbia, Department of Mathematics (Canada)
2011-06-15
Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.
Incentives in Supply Function Equilibrium
DEFF Research Database (Denmark)
Vetter, Henrik
2014-01-01
The author analyses delegation in homogenous duopoly under the assumption that the firm-managers compete in supply functions. In supply function equilibrium, managers’ decisions are strategic complements. This reverses earlier findings in that the author finds that owners give managers incentives...... to act in an accommodating way. As a result, optimal delegation reduces per-firm output and increases profits to above-Cournot profits. Moreover, in supply function equilibrium the mode of competition is endogenous. This means that the author avoids results that are sensitive with respect to assuming...
Equilibrium in a Production Economy
International Nuclear Information System (INIS)
Chiarolla, Maria B.; Haussmann, Ulrich G.
2011-01-01
Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.
The Equilibrium Rule--A Personal Discovery
Hewitt, Paul G.
2016-01-01
Examples of equilibrium are evident everywhere and the equilibrium rule provides a reasoned way to view all things, whether in static (balancing rocks, steel beams in building construction) or dynamic (airplanes, bowling balls) equilibrium. Interestingly, the equilibrium rule applies not just to objects at rest but whenever any object or system of…
Non equilibrium atomic processes and plasma spectroscopy
International Nuclear Information System (INIS)
Kato, Takako
2003-01-01
Along with the technical progress in plasma spectroscopy, non equilibrium ionization processes have been recently observed. We study non local thermodynamic equilibrium and non ionization equilibrium for various kinds of plasmas. Specifically we discuss non equilibrium atomic processes in magnetically confined plasmas, solar flares and laser produced plasmas using a collisional radiative model based on plasma spectroscopic data. (author)
Energy Technology Data Exchange (ETDEWEB)
Lambourne, Robert [Department of Physics and Astronomy, Open University, Milton Keynes (United Kingdom)
2005-11-01
This paper examines the challenges and rewards that can arise when the teaching of Einsteinian physics has to be accomplished by means of distance education. The discussion is mainly based on experiences gathered over the past 35 years at the UK Open University, where special and general relativity, relativistic cosmology and other aspects of Einsteinian physics, have been taught at a variety of levels, and using a range of techniques, to students studying at a distance.
Long distance quantum teleportation
Xia, Xiu-Xiu; Sun, Qi-Chao; Zhang, Qiang; Pan, Jian-Wei
2018-01-01
Quantum teleportation is a core protocol in quantum information science. Besides revealing the fascinating feature of quantum entanglement, quantum teleportation provides an ultimate way to distribute quantum state over extremely long distance, which is crucial for global quantum communication and future quantum networks. In this review, we focus on the long distance quantum teleportation experiments, especially those employing photonic qubits. From the viewpoint of real-world application, both the technical advantages and disadvantages of these experiments are discussed.
Energy Technology Data Exchange (ETDEWEB)
Paul, Bijan Kumar [Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Calcutta 700009 (India); Guchhait, Nikhil, E-mail: nikhil.guchhait@rediffmail.com [Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Calcutta 700009 (India)
2013-02-01
Highlights: ► Intramolecular hydrogen bonding (IMHB) in salicylic acid and its chloro derivatives. ► A complex effect of +R and −I effect of chlorine substituents on IMHB energy. ► Interplay between IMHB energy and aromaticity. ► Directional nature of IMHB from quantum chemical assessment. ► Quantum chemical treatment vs. geometrical criteria to assess weak interaction. - Abstract: Density functional theory based computational study has been performed to characterize intramolecular hydrogen bonding (IMHB) interaction in a series of salicylic acid derivatives varying in chlorine substitution on the benzene ring. The molecular systems studied are salicylic acid, 5-chlorosalicylic acid, 3,5-dichlorosalicylic acid and 3,5,6-tricholorosalicylic acid. Major emphasis is rendered on the analysis of IMHB interaction by calculation of electron density ρ(r) and Laplacian ∇{sup 2}ρ(r) at the bond critical point using atoms-in-molecule theory. Topological features, energy densities based on ρ(r) through perturbing the intramolecular H-bond distances suggest that at equilibrium geometry the IMHB interaction develops certain characteristics typical of covalent interaction. The interplay between aromaticity and resonance-assisted hydrogen bonding (RAHB) is discussed using both geometrical and magnetic criteria as the descriptors of aromaticity. The optimized geometry features, molecular electrostatic potential map analysis are also found to produce a consensus view in relation with the formation of RAHB in these systems.
International Nuclear Information System (INIS)
Paul, Bijan Kumar; Guchhait, Nikhil
2013-01-01
Highlights: ► Intramolecular hydrogen bonding (IMHB) in salicylic acid and its chloro derivatives. ► A complex effect of +R and −I effect of chlorine substituents on IMHB energy. ► Interplay between IMHB energy and aromaticity. ► Directional nature of IMHB from quantum chemical assessment. ► Quantum chemical treatment vs. geometrical criteria to assess weak interaction. - Abstract: Density functional theory based computational study has been performed to characterize intramolecular hydrogen bonding (IMHB) interaction in a series of salicylic acid derivatives varying in chlorine substitution on the benzene ring. The molecular systems studied are salicylic acid, 5-chlorosalicylic acid, 3,5-dichlorosalicylic acid and 3,5,6-tricholorosalicylic acid. Major emphasis is rendered on the analysis of IMHB interaction by calculation of electron density ρ(r) and Laplacian ∇ 2 ρ(r) at the bond critical point using atoms-in-molecule theory. Topological features, energy densities based on ρ(r) through perturbing the intramolecular H-bond distances suggest that at equilibrium geometry the IMHB interaction develops certain characteristics typical of covalent interaction. The interplay between aromaticity and resonance-assisted hydrogen bonding (RAHB) is discussed using both geometrical and magnetic criteria as the descriptors of aromaticity. The optimized geometry features, molecular electrostatic potential map analysis are also found to produce a consensus view in relation with the formation of RAHB in these systems
Deviations from thermal equilibrium in plasmas
International Nuclear Information System (INIS)
Burm, K.T.A.L.
2004-01-01
A plasma system in local thermal equilibrium can usually be described with only two parameters. To describe deviations from equilibrium two extra parameters are needed. However, it will be shown that deviations from temperature equilibrium and deviations from Saha equilibrium depend on one another. As a result, non-equilibrium plasmas can be described with three parameters. This reduction in parameter space will ease the plasma describing effort enormously
Non-equilibrium fluctuation-induced interactions
International Nuclear Information System (INIS)
Dean, David S
2012-01-01
We discuss non-equilibrium aspects of fluctuation-induced interactions. While the equilibrium behavior of such interactions has been extensively studied and is relatively well understood, the study of these interactions out of equilibrium is relatively new. We discuss recent results on the non-equilibrium behavior of systems whose dynamics is of the dissipative stochastic type and identify a number of outstanding problems concerning non-equilibrium fluctuation-induced interactions.
Transversely Compressed Bonded Joints
DEFF Research Database (Denmark)
Hansen, Christian Skodborg; Schmidt, Jacob Wittrup; Stang, Henrik
2012-01-01
The load capacity of bonded joints can be increased if transverse pressure is applied at the interface. The transverse pressure is assumed to introduce a Coulomb-friction contribution to the cohesive law for the interface. Response and load capacity for a bonded single-lap joint was derived using...
Understanding Thermal Equilibrium through Activities
Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra
2015-01-01
Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…
Thermodynamic theory of equilibrium fluctuations
International Nuclear Information System (INIS)
Mishin, Y.
2015-01-01
The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.
Equilibrium theory : A salient approach
Schalk, S.
1999-01-01
Whereas the neoclassical models in General Equilibrium Theory focus on the existence of separate commodities, this thesis regards 'bundles of trade' as the unit objects of exchange. Apart from commodities and commodity bundles in the neoclassical sense, the term `bundle of trade' includes, for
Essays in general equilibrium theory
Konovalov, A.
2001-01-01
The thesis focuses on various issues of general equilibrium theory and can approximately be divided into three parts. The first part of the thesis studies generalized equilibria in the Arrow-Debreu model in the situation where the strong survival assumption is not satisfied. Chapter four deals with
Financial equilibrium with career concerns
Directory of Open Access Journals (Sweden)
Amil Dasgupta
2006-03-01
Full Text Available What are the equilibrium features of a financial market where a sizeable proportion of traders face reputational concerns? This question is central to our understanding of financial markets, which are increasingly dominated by institutional investors. We construct a model of delegated portfolio management that captures key features of the US mutual fund industry and embed it in an asset pricing framework. We thus provide a formal model of financial equilibrium with career concerned agents. Fund managers differ in their ability to understand market fundamentals, and in every period investors choose a fund. In equilibrium, the presence of career concerns induces uninformed fund managers to churn, i.e., to engage in trading even when they face a negative expected return. Churners act as noise traders and enhance the level of trading volume. The equilibrium relationship between fund return and net fund flows displays a skewed shape that is consistent with stylized facts. The robustness of our core results is probed from several angles.
Equilibrium with arbitrary market structure
DEFF Research Database (Denmark)
Grodal, Birgit; Vind, Karl
2005-01-01
. The complete market predicted by this theory is clearly unrealistic, and Radner [10] formulated and proved existence of equilibrium in a multiperiod model with incomplete markets. In this paper the Radner result is extended. Radner assumed a specific structure of markets, independence of preferences...
Nash equilibrium with lower probabilities
DEFF Research Database (Denmark)
Groes, Ebbe; Jacobsen, Hans Jørgen; Sloth, Birgitte
1998-01-01
We generalize the concept of Nash equilibrium in mixed strategies for strategic form games to allow for ambiguity in the players' expectations. In contrast to other contributions, we model ambiguity by means of so-called lower probability measures or belief functions, which makes it possible...
DEFF Research Database (Denmark)
Tell, Michael
2015-01-01
Corporate financing is the choice between capital generated by the corporation and capital from external investors. However, since the financial crisis shook the markets in 2007–2008, financing opportunities through the classical means of financing have decreased. As a result, corporations have...... to think in alternative ways such as issuing corporate bonds. A market for corporate bonds exists in countries such as Norway, Germany, France, the United Kingdom and the United States, while Denmark is still behind in this trend. Some large Danish corporations have instead used foreign corporate bonds...... markets. However, NASDAQ OMX has introduced the First North Bond Market in December 2012 and new regulatory framework came into place in 2014, which may contribute to a Danish based corporate bond market. The purpose of this article is to present the regulatory changes in Denmark in relation to corporate...
An Easy and Effective Demonstration of Enzyme Stereospecificity and Equilibrium Thermodynamics
Herdman, Chelsea; Dickman, Michael
2011-01-01
Enzyme stereospecificity and equilibrium thermodynamics can be demonstrated using the coupling of two amino acid derivatives by Thermoase C160. This protease will catalyze peptide bond formation between Z-L-AspOH and L-PheOMe to form the Aspartame precursor Z-L-Asp-L-PheOMe. Reaction completion manifests itself by precipitation of the product. As…
Equilibrium structure and atomic vibrations of Nin clusters
Borisova, Svetlana D.; Rusina, Galina G.
2017-12-01
The equilibrium bond lengths and binding energy, second differences in energy and vibrational frequencies of free clusters Nin (2 ≤ n ≤ 20) were calculated with the use of the interaction potential obtained in the tight-binding approximation (TBA). The results show that the minimum vibration frequency plays a significant role in the evaluation of the dynamic stability of the clusters. A nonmonotonic dependence of the minimum vibration frequency of clusters on their size and the extreme values for the number of atoms in a cluster n = 4, 6, 13, and 19 are demonstrated. This result agrees with the theoretical and experimental data on stable structures of small metallic clusters.
On generalized operator quasi-equilibrium problems
Kum, Sangho; Kim, Won Kyu
2008-09-01
In this paper, we will introduce the generalized operator equilibrium problem and generalized operator quasi-equilibrium problem which generalize the operator equilibrium problem due to Kazmi and Raouf [K.R. Kazmi, A. Raouf, A class of operator equilibrium problems, J. Math. Anal. Appl. 308 (2005) 554-564] into multi-valued and quasi-equilibrium problems. Using a Fan-Browder type fixed point theorem in [S. Park, Foundations of the KKM theory via coincidences of composites of upper semicontinuous maps, J. Korean Math. Soc. 31 (1994) 493-519] and an existence theorem of equilibrium for 1-person game in [X.-P. Ding, W.K. Kim, K.-K. Tan, Equilibria of non-compact generalized games with L*-majorized preferences, J. Math. Anal. Appl. 164 (1992) 508-517] as basic tools, we prove new existence theorems on generalized operator equilibrium problem and generalized operator quasi-equilibrium problem which includes operator equilibrium problems.
Non-Equilibrium Properties from Equilibrium Free Energy Calculations
Pohorille, Andrew; Wilson, Michael A.
2012-01-01
Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.
Directory of Open Access Journals (Sweden)
Ramon F. Alvarez-Estrada
2012-02-01
Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.
International Nuclear Information System (INIS)
Hernandez Caceres, Jose Luis; Hong, Rolando; Martinez Ortiz, Carlos; Sautie Castellanos, Miguel; Valdes, Kiria; Guevara Erra, Ramon
2004-10-01
Under the assumption of even point mutation pressure on the DNA strand, rates for transitions from one amino acid into another were assessed. Nearly 25% of all mutations were silent. About 48% of the mutations from a given amino acid stream either into the same amino acid or into an amino acid of the same class. These results suggest a great stability of the Standard Genetic Code respect to mutation load. Concepts from chemical equilibrium theory are applicable into this case provided that mutation rate constants are given. It was obtained that unequal synonymic codon usage may lead to changes in the equilibrium concentrations. Data from real biological species showed that several amino acids are close to the respective equilibrium concentration. However in all the cases the concentration of leucine nearly doubled its equilibrium concentration, whereas for the stop command (Term) it was about 10 times lower. The overall distance from equilibrium for a set of species suggests that eukaryotes are closer to equilibrium than prokaryotes, and the HIV virus was closest to equilibrium among 15 species. We obtained that contemporary species are closer to the equilibrium than the Last Universal Common Ancestor (LUCA) was. Similarly, nonpreserved regions in proteins are closer to equilibrium than the preserved ones. We suggest that this approach can be useful for exploring some aspects of biological evolution in the framework of Standard Genetic Code properties. (author)
DEFF Research Database (Denmark)
Hansen, Finn J. S.; Clausen, Christian
2001-01-01
The case study represents an example of a top-down introduction of distance teaching as part of Danish trials with the introduction of multimedia in education. The study is concerned with the background, aim and context of the trial as well as the role and working of the technology and the organi......The case study represents an example of a top-down introduction of distance teaching as part of Danish trials with the introduction of multimedia in education. The study is concerned with the background, aim and context of the trial as well as the role and working of the technology...
Model analysis of molecular conformations in terms of weak interactions between non bonded atoms
International Nuclear Information System (INIS)
Lombardi, E.
1988-01-01
The aim of the present paper is to establish a reliable basis for the evaluation of stable conformations and rotational barriers for molecules, with possible applications to systems of biological interest. It is proceeded in two steps: first, the effect of chemical environment on orbitals of a given atom is studied for diatomic units, adopting a valence-bond approach and considering, as prototypes, the two simplest series of diatomic molecules with one valence electron each, i.e. the alkali diatomics and the alkali hydrides. In the model, the orbital of the hydrogen atom by a simple (''1S'') gaussian function, the valence orbital of an alkali atom by a function (r 2 -a 2 ) times a simple gaussian (''2S'' gaussian). Dissociation energies D e and equilibrium distances R e are calculated using a scanning procedure. Agreement with experiment is quantitative for the alkali diatomics. For alkali hydrides, good agreement is obtained only if validity of a rule β e R e =constant, for the two atoms separately, is postulated; β e is the characteristic parameter of a ''1S'' gaussian (hydrogen) or a ''2S'' gaussian (alkali atom) function. In a second step, the authors assume validity of the same rule in conformational analysis for any single bonded A-B molecule with A=C, O, N, P, Si, Ge and B=H, or a halogen atom. Gauge β e values for H, F and C are obtained by fitting experimental rotational barriers in C 2 H 6 , C 2 F 6 and C 3 H 8 . Stable conformation of, and barriers to rotation in, ethane-like rotors are determined, applying first-order exchange perturbation theory, in terms of two- and many-center exchange interactions in cluster of non-bonded atoms. Some 60 molecules are analyzed. Agreement with experiments is strikngly good except for a few systematic deviation. Reasons for such discrepancies are discussed
The coevolution of long-term pair bonds and cooperation.
Song, Z; Feldman, M W
2013-05-01
The evolution of social traits may not only depend on but also change the social structure of the population. In particular, the evolution of pairwise cooperation, such as biparental care, depends on the pair-matching distribution of the population, and the latter often emerges as a collective outcome of individual pair-bonding traits, which are also under selection. Here, we develop an analytical model and individual-based simulations to study the coevolution of long-term pair bonds and cooperation in parental care, where partners play a Snowdrift game in each breeding season. We illustrate that long-term pair bonds may coevolve with cooperation when bonding cost is below a threshold. As long-term pair bonds lead to assortative interactions through pair-matching dynamics, they may promote the prevalence of cooperation. In addition to the pay-off matrix of a single game, the evolutionarily stable equilibrium also depends on bonding cost and accidental divorce rate, and it is determined by a form of balancing selection because the benefit from pair-bond maintenance diminishes as the frequency of cooperators increases. Our findings highlight the importance of ecological factors affecting social bonding cost and stability in understanding the coevolution of social behaviour and social structures, which may lead to the diversity of biological social systems. © 2013 The Authors. Journal of Evolutionary Biology © 2013 European Society For Evolutionary Biology.
Theoretical Principles of Distance Education.
Keegan, Desmond, Ed.
This book contains the following papers examining the didactic, academic, analytic, philosophical, and technological underpinnings of distance education: "Introduction"; "Quality and Access in Distance Education: Theoretical Considerations" (D. Randy Garrison); "Theory of Transactional Distance" (Michael G. Moore);…
Huang, F.; Wang, W.; Zhou, C.; Kang, J.; Wu, Z.
2017-12-01
Many naturally occurring minerals, such as carbonate, garnet, pyroxene, and feldspar, are solid solutions with large variations in chemical compositions. Such variations may affect mineral structures and modify the chemical bonding environment around atoms, which further impacts the equilibrium isotope fractionation factors among minerals. Here we investigated the effects of Mg content on equilibrium Mg and Ca isotope fractionation among carbonates and Ca content on equilibrium Ca isotope fractionation between orthopyroxene (opx) and clinopyroxene (cpx) using first-principles calculations. Our results show that the average Mg-O bond length increases with decreasing Mg/(Mg+Ca) in calcite when it is greater than 1/48[1] and the average Ca-O bond length significantly decreases with decreasing Ca/(Ca+Mg+Fe) in opx when it ranges from 2/16 to 1/48[2]. Equilibrium isotope fractionation is mainly controlled by bond strengths, which could be measured by bond lengths. Thus, 103lnα26Mg/24Mg between dolomite and calcite dramatically increases with decreasing Mg/(Mg+Ca) in calcite [1] and it reaches a constant value when it is lower than 1/48. 103lnα44Ca/40Ca between opx and cpx significantly increases with decreasing Ca content in opx when Ca/(Ca+Mg+Fe) ranges from 2/16 to 1/48 [2]. If Ca/(Ca+Mg+Fe) is below 1/48, 103lnα44Ca/40Ca is not sensitive to Ca content. Based on our results, we conclude that the concentration effect on equilibrium isotope fractionation could be significant within a certain range of chemical composition of minerals, which should be a ubiquitous phenomenon in solid solution systems. [1] Wang, W., Qin, T., Zhou, C., Huang, S., Wu, Z., Huang, F., 2017. GCA 208, 185-197. [2] Feng, C., Qin, T., Huang, S., Wu, Z., Huang, F., 2014. GCA 143, 132-142.
Equilibrium studies of helical axis stellarators
International Nuclear Information System (INIS)
Hender, T.C.; Carreras, B.A.; Garcia, L.; Harris, J.H.; Rome, J.A.; Cantrell, J.L.; Lynch, V.E.
1984-01-01
The equilibrium properties of helical axis stellarators are studied with a 3-D equilibrium code and with an average method (2-D). The helical axis ATF is shown to have a toroidally dominated equilibrium shift and good equilibria up to at least 10% peak beta. Low aspect ratio heliacs, with relatively large toroidal shifts, are shown to have low equilibrium beta limits (approx. 5%). Increasing the aspect ratio and number of field periods proportionally is found to improve the equilibrium beta limit. Alternatively, increasing the number of field periods at fixed aspect ratio which raises and lowers the toroidal shift improves the equilibrium beta limit
Fast Computing for Distance Covariance
Huo, Xiaoming; Szekely, Gabor J.
2014-01-01
Distance covariance and distance correlation have been widely adopted in measuring dependence of a pair of random variables or random vectors. If the computation of distance covariance and distance correlation is implemented directly accordingly to its definition then its computational complexity is O($n^2$) which is a disadvantage compared to other faster methods. In this paper we show that the computation of distance covariance and distance correlation of real valued random variables can be...
Students’ misconceptions on solubility equilibrium
Setiowati, H.; Utomo, S. B.; Ashadi
2018-05-01
This study investigated the students’ misconceptions of the solubility equilibrium. The participants of the study consisted of 164 students who were in the science class of second year high school. Instrument used is two-tier diagnostic test consisting of 15 items. Responses were marked and coded into four categories: understanding, misconception, understand little without misconception, and not understanding. Semi-structured interviews were carried out with 45 students according to their written responses which reflected different perspectives, to obtain a more elaborated source of data. Data collected from multiple methods were analyzed qualitatively and quantitatively. Based on the data analysis showed that the students misconceptions in all areas in solubility equilibrium. They had more misconceptions such as in the relation of solubility and solubility product, common-ion effect and pH in solubility, and precipitation concept.
Planning with Reachable Distances
Tang, Xinyu; Thomas, Shawna; Amato, Nancy M.
2009-01-01
reachable distance space (RD-space), in which all configurations lie in the set of constraint-satisfying subspaces. This enables us to directly sample the constrained subspaces with complexity linear in the robot's number of degrees of freedom. In addition
DEFF Research Database (Denmark)
Jensen, Hanne Louise; de Neergaard, Maja
2016-01-01
De-severing Distance This paper draws on the growing body of mobility literature that shows how mobility can be viewed as meaningful everyday practices (Freudendal –Pedersen 2007, Cresswell 2006) this paper examines how Heidegger’s term de-severing can help us understand the everyday coping with ...
Draisma, J.; Horobet, E.; Ottaviani, G.; Sturmfels, B.; Thomas, R.R.; Zhi, L.; Watt, M.
2014-01-01
The nearest point map of a real algebraic variety with respect to Euclidean distance is an algebraic function. For instance, for varieties of low rank matrices, the Eckart-Young Theorem states that this map is given by the singular value decomposition. This article develops a theory of such nearest
Electromagnetic distance measurement
1967-01-01
This book brings together the work of forty-eight geodesists from twenty-five countries. They discuss various new electromagnetic distance measurement (EDM) instruments - among them the Tellurometer, Geodimeter, and air- and satellite-borne systems - and investigate the complex sources of error.
Determining average yarding distance.
Roger H. Twito; Charles N. Mann
1979-01-01
Emphasis on environmental and esthetic quality in timber harvesting has brought about increased use of complex boundaries of cutting units and a consequent need for a rapid and accurate method of determining the average yarding distance and area of these units. These values, needed for evaluation of road and landing locations in planning timber harvests, are easily and...
Rahman, Monsurur; Karim, Reza; Byramjee, Framarz
2015-01-01
Many educational institutions in the United States are currently offering programs through distance learning, and that trend is rising. In almost all spheres of education a developing country like Bangladesh needs to make available the expertise of the most qualified faculty to her distant people. But the fundamental question remains as to whether…
DEFF Research Database (Denmark)
Pedersen, Knud Ole Helgesen
1999-01-01
A method for implementing a digital distance relay in the power system is described.Instructions are given on how to program this relay on a 80537 based microcomputer system.The problem is used as a practical case study in the course 53113: Micocomputer applications in the power system.The relay...
Interphase thermodynamic bond in heterogeneous alloys: effects on alloy properties
International Nuclear Information System (INIS)
Savchenko, A.M.; Konovalov, Yu.V.; Yuferov, O.I.
2005-01-01
Inconsistency between a conventional thermodynamic description of alloys as a mechanical mixture of phases and a real alloys state as a common thermodynamic system in which there is a complicated physical-chemical phases interaction has been considered. It is supposed that in heterogeneous alloys (eutectic ones, for instance), so called interphase thermodynamic bond can become apparent due to a partial electron levels splitting under phase interaction. Thermodynamic description of phase equilibrium in alloys is proposed taking into account a thermodynamic bond for the system with phase diagram of eutectic type, and methods of the value of this bond estimation are presented. Experimental evidence (Al-Cu-Si, Al-Si-Mg-Cu, U-Mo + Al) of the effect of interphase thermodynamic bond on temperature and enthalpy of melting of alloys are produced as well as possibility of its effects on alloys electrical conduction, strength, heat and corrosion resistance is substantiated theoretically [ru
An introduction to equilibrium thermodynamics
Morrill, Bernard; Hartnett, James P; Hughes, William F
1973-01-01
An Introduction to Equilibrium Thermodynamics discusses classical thermodynamics and irreversible thermodynamics. It introduces the laws of thermodynamics and the connection between statistical concepts and observable macroscopic properties of a thermodynamic system. Chapter 1 discusses the first law of thermodynamics while Chapters 2 through 4 deal with statistical concepts. The succeeding chapters describe the link between entropy and the reversible heat process concept of entropy; the second law of thermodynamics; Legendre transformations and Jacobian algebra. Finally, Chapter 10 provides a
Money Inventories in Search Equilibrium
Berentsen, Aleksander
1998-01-01
The paper relaxes the one unit storage capacity imposed in the basic search-theoretic model of fiat money with indivisible real commodities and indivisible money. Agents can accumulate as much money as they want. It characterizes the stationary distributions of money and shows that for reasonable parameter values (e.g. production cost, discounting, degree of specialization) a monetary equilibrium exists. There are multiple stationary distributions of a given amount of money, which differ in t...
Local equilibrium in bird flocks
Mora, Thierry; Walczak, Aleksandra M.; Del Castello, Lorenzo; Ginelli, Francesco; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano; Cavagna, Andrea; Giardina, Irene
2016-12-01
The correlated motion of flocks is an example of global order emerging from local interactions. An essential difference with respect to analogous ferromagnetic systems is that flocks are active: animals move relative to each other, dynamically rearranging their interaction network. This non-equilibrium characteristic has been studied theoretically, but its impact on actual animal groups remains to be fully explored experimentally. Here, we introduce a novel dynamical inference technique, based on the principle of maximum entropy, which accommodates network rearrangements and overcomes the problem of slow experimental sampling rates. We use this method to infer the strength and range of alignment forces from data of starling flocks. We find that local bird alignment occurs on a much faster timescale than neighbour rearrangement. Accordingly, equilibrium inference, which assumes a fixed interaction network, gives results consistent with dynamical inference. We conclude that bird orientations are in a state of local quasi-equilibrium over the interaction length scale, providing firm ground for the applicability of statistical physics in certain active systems.
Directory of Open Access Journals (Sweden)
Yibin Mu
2013-07-01
Full Text Available African bond markets have been steadily growing in recent years, but nonetheless remain undeveloped. African countries would benefit from greater access to financing and deeper financial markets. This paper compiles a unique set of data on government securities and corporate bond markets in Africa. It then applies an econometric model to analyze the key determinants of African government securities market and corporate bond market capitalization. Government securities market capitalization is directly related to better institutions and interest rate volatility, and inversely related to smaller fiscal deficits, higher interest rate spreads, exchange rate volatility, and current and capital account openness. Corporate bond market capitalization is directly linked to economic size, the level of development of the economy and financial markets, better institutions, and interest rate volatility, and inversely related to higher interest rate spreads and current account openness. Policy implications follow.
Ramm, Peter; Taklo, Maaike M V
2011-01-01
Written by an author and editor team from microsystems companies and industry-near research organizations, this handbook and reference presents dependable, first-hand information on bonding technologies.In the first part, researchers from companies and institutions around the world discuss the most reliable and reproducible technologies for the production of bonded wafers. The second part is devoted to current and emerging applications, including microresonators, biosensors and precise measuring devices.
International Nuclear Information System (INIS)
Peters, R.D.
1978-01-01
The applications of diffusion bonding at the General Electric Neutron Devices Department are briefly discussed, with particular emphasis on the gold/gold or gold/indium joints made between metallized alumina ceramic parts in the vacuum switch tube and the crystal resonator programs. Fixtures which use the differential expansion of dissimilar metals are described and compared to one that uses hydraulic pressure to apply the necessary bonding force
Quantum dynamical semigroups and approach to equilibrium
International Nuclear Information System (INIS)
Frigerio, A.
1977-01-01
For a quantum dynamical semigroup possessing a faithful normal stationary state, some conditions are discussed, which ensure the uniqueness of the equilibrium state and/or the approach to equilibrium for arbitrary initial condition. (Auth.)
The geometry of finite equilibrium sets
DEFF Research Database (Denmark)
Balasko, Yves; Tvede, Mich
2009-01-01
We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...... of equilibrium datasets is pathconnected when the equilibrium condition does impose restrictions on datasets, as for example when total resources are widely noncollinear....
Accelerating Multiagent Reinforcement Learning by Equilibrium Transfer.
Hu, Yujing; Gao, Yang; An, Bo
2015-07-01
An important approach in multiagent reinforcement learning (MARL) is equilibrium-based MARL, which adopts equilibrium solution concepts in game theory and requires agents to play equilibrium strategies at each state. However, most existing equilibrium-based MARL algorithms cannot scale due to a large number of computationally expensive equilibrium computations (e.g., computing Nash equilibria is PPAD-hard) during learning. For the first time, this paper finds that during the learning process of equilibrium-based MARL, the one-shot games corresponding to each state's successive visits often have the same or similar equilibria (for some states more than 90% of games corresponding to successive visits have similar equilibria). Inspired by this observation, this paper proposes to use equilibrium transfer to accelerate equilibrium-based MARL. The key idea of equilibrium transfer is to reuse previously computed equilibria when each agent has a small incentive to deviate. By introducing transfer loss and transfer condition, a novel framework called equilibrium transfer-based MARL is proposed. We prove that although equilibrium transfer brings transfer loss, equilibrium-based MARL algorithms can still converge to an equilibrium policy under certain assumptions. Experimental results in widely used benchmarks (e.g., grid world game, soccer game, and wall game) show that the proposed framework: 1) not only significantly accelerates equilibrium-based MARL (up to 96.7% reduction in learning time), but also achieves higher average rewards than algorithms without equilibrium transfer and 2) scales significantly better than algorithms without equilibrium transfer when the state/action space grows and the number of agents increases.
The Geometry of Finite Equilibrium Datasets
DEFF Research Database (Denmark)
Balasko, Yves; Tvede, Mich
We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...... of equilibrium datasets is pathconnected when the equilibrium condition does impose restrictions on datasets, as for example when total resources are widely non collinear....
Gualtieri, J. A.; Le Moigne, J.; Packer, C. V.
1992-01-01
Comparing two binary images and assigning a quantitative measure to this comparison finds its purpose in such tasks as image recognition, image compression, and image browsing. This quantitative measurement may be computed by utilizing the Hausdorff distance of the images represented as two-dimensional point sets. In this paper, we review two algorithms that have been proposed to compute this distance, and we present a parallel implementation of one of them on the MasPar parallel processor. We study their complexity and the results obtained by these algorithms for two different types of images: a set of displaced pairs of images of Gaussian densities, and a comparison of a Canny edge image with several edge images from a hierarchical region growing code.
THE EXTRAGALACTIC DISTANCE DATABASE
International Nuclear Information System (INIS)
Tully, R. Brent; Courtois, Helene M.; Jacobs, Bradley A.; Rizzi, Luca; Shaya, Edward J.; Makarov, Dmitry I.
2009-01-01
A database can be accessed on the Web at http://edd.ifa.hawaii.edu that was developed to promote access to information related to galaxy distances. The database has three functional components. First, tables from many literature sources have been gathered and enhanced with links through a distinct galaxy naming convention. Second, comparisons of results both at the levels of parameters and of techniques have begun and are continuing, leading to increasing homogeneity and consistency of distance measurements. Third, new material is presented arising from ongoing observational programs at the University of Hawaii 2.2 m telescope, radio telescopes at Green Bank, Arecibo, and Parkes and with the Hubble Space Telescope. This new observational material is made available in tandem with related material drawn from archives and passed through common analysis pipelines.
Open problems in non-equilibrium physics
International Nuclear Information System (INIS)
Kusnezov, D.
1997-01-01
The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions
The concept of equilibrium in organization theory
Gazendam, H.W.M.
1998-01-01
Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or
The concept of equilibrium in organization theory
Gazendam, Henk W.M.
1997-01-01
Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or
Open problems in non-equilibrium physics
Energy Technology Data Exchange (ETDEWEB)
Kusnezov, D.
1997-09-22
The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.
Capachi, Casey
2013-01-01
Distance to Cure A three-part television series by Casey Capachi www.distancetocure.com Abstract How far would you go for health care? This three-part television series, featuring two introductory segments between each piece, focuses on the physical, cultural, and political obstacles facing rural Native American patients and the potential of health technology to break down those barriers to care. Part one,Telemedici...
Ultrametric Distance in Syntax
Directory of Open Access Journals (Sweden)
Roberts Mark D.
2015-04-01
Full Text Available Phrase structure trees have a hierarchical structure. In many subjects, most notably in taxonomy such tree structures have been studied using ultrametrics. Here syntactical hierarchical phrase trees are subject to a similar analysis, which is much simpler as the branching structure is more readily discernible and switched. The ambiguity of which branching height to choose, is resolved by postulating that branching occurs at the lowest height available. An ultrametric produces a measure of the complexity of sentences: presumably the complexity of sentences increases as a language is acquired so that this can be tested. All ultrametric triangles are equilateral or isosceles. Here it is shown that X̅ structure implies that there are no equilateral triangles. Restricting attention to simple syntax a minimum ultrametric distance between lexical categories is calculated. A matrix constructed from this ultrametric distance is shown to be different than the matrix obtained from features. It is shown that the definition of C-COMMAND can be replaced by an equivalent ultrametric definition. The new definition invokes a minimum distance between nodes and this is more aesthetically satisfying than previous varieties of definitions. From the new definition of C-COMMAND follows a new definition of of the central notion in syntax namely GOVERNMENT.
Thermal equilibrium in Einstein's elevator.
Sánchez-Rey, Bernardo; Chacón-Acosta, Guillermo; Dagdug, Leonardo; Cubero, David
2013-05-01
We report fully relativistic molecular-dynamics simulations that verify the appearance of thermal equilibrium of a classical gas inside a uniformly accelerated container. The numerical experiments confirm that the local momentum distribution in this system is very well approximated by the Jüttner function-originally derived for a flat spacetime-via the Tolman-Ehrenfest effect. Moreover, it is shown that when the acceleration or the container size is large enough, the global momentum distribution can be described by the so-called modified Jüttner function, which was initially proposed as an alternative to the Jüttner function.
Romanian government bond market
Directory of Open Access Journals (Sweden)
Cornelia POP
2012-12-01
Full Text Available The present paper aims to present the level of development reached by Romanian government bond market segment, as part of the country financial market. The analysis will be descriptive (the data series available for Romania are short, based on the secondary data offered by the official bodies involved in the process of issuing and trading the Romanian government bonds (Romanian Ministry of Public Finance, Romanian National Bank and Bucharest Stock Exchange, and also on secondary data provided by the Federation of European Stock Exchanges.To enhance the market credibility as a benchmark, a various combination of measures is necessary; among these measures are mentioned: the extension of the yield curve; the issuance calendars in order to improve transparency; increasing the disclosure of information on public debt issuance and statistics; holding regular meetings with dealers, institutional investors and rating agencies; introducing a system of primary dealers; establishing a repurchase (repo market in the government bond market. These measures will be discussed based on the evolution presented inside the paper.The paper conclude with the fact that, until now, the Romanian government bond market did not provide a benchmark for the domestic financial market and that further efforts are needed in order to increase the government bond market transparency and liquidity.
Etim, Emmanuel E.; Gorai, Prasanta; Das, Ankan; Chakrabarti, Sandip K.; Arunan, Elangannan
2018-06-01
This paper reports the first extensive study of the existence and effects of interstellar hydrogen bonding. The reactions that occur on the surface of the interstellar dust grains are the dominant processes by which interstellar molecules are formed. Water molecules constitute about 70% of the interstellar ice. These water molecules serve as the platform for hydrogen bonding. High level quantum chemical simulations for the hydrogen bond interaction between 20 interstellar molecules (known and possible) and water are carried out using different ab-intio methods. It is evident that if the formation of these species is mainly governed by the ice phase reactions, there is a direct correlation between the binding energies of these complexes and the gas phase abundances of these interstellar molecules. Interstellar hydrogen bonding may cause lower gas abundance of the complex organic molecules (COMs) at the low temperature. From these results, ketenes whose less stable isomers that are more strongly bonded to the surface of the interstellar dust grains have been observed are proposed as suitable candidates for astronomical observations.
Safe and Liquid Mortgage Bonds
DEFF Research Database (Denmark)
Dick-Nielsen, Jens; Gyntelberg, Jacob; Lund, Jesper
This paper shows that strict match pass-through funding of covered bonds provides safe and liquid mortgage bonds. Despite a 30% drop in house prices during the 2008 global crisis Danish mortgage bonds remained as liquid as most European government bonds. The Danish pass-through system effectively...... eliminates credit risk from the investor's perspective. Similar to other safe bonds, funding liquidity becomes the main driver of mortgage bond liquidity and this creates commonality in liquidity across markets and countries. These findings have implications for how to design a robust mortgage bond system...
Silverberg, Lee J.; Raff, Lionel M.
2015-01-01
Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…
Approach to transverse equilibrium in axial channeling
International Nuclear Information System (INIS)
Fearick, R.W.
2000-01-01
Analytical treatments of channeling rely on the assumption of equilibrium on the transverse energy shell. The approach to equilibrium, and the nature of the equilibrium achieved, is examined using solutions of the equations of motion in the continuum multi-string model. The results show that the motion is chaotic in the absence of dissipative processes, and a complicated structure develops in phase space which prevent the development of the simple equilibrium usually assumed. The role of multiple scattering in smoothing out the equilibrium distribution is investigated
Pre-equilibrium plasma dynamics
Energy Technology Data Exchange (ETDEWEB)
Heinz, U.
1986-01-01
Approaches towards understanding and describing the pre-equilibrium stage of quark-gluon plasma formation in heavy-ion collisions are reviewed. Focus is on a kinetic theory approach to non-equilibrium dynamics, its extension to include the dynamics of color degrees of freedom when applied to the quark-gluon plasma, its quantum field theoretical foundations, and its relationship to both the particle formation stage at the very beginning of the nuclear collision and the hydrodynamic stage at late collision times. The usefulness of this approach to obtain the transport coefficients in the quark-gluon plasma and to derive the collective mode spectrum and damping rates in this phase are discussed. Comments are made on the general difficulty to find appropriated initial conditions to get the kinetic theory started, and a specific model is given that demonstrates that, once given such initial conditions, the system can be followed all the way through into the hydrodynamical regime. 39 refs., 7 figs. (LEW)
Non-equilibrium phase transition
International Nuclear Information System (INIS)
Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.
1998-01-01
This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken
Pre-equilibrium plasma dynamics
International Nuclear Information System (INIS)
Heinz, U.
1986-01-01
Approaches towards understanding and describing the pre-equilibrium stage of quark-gluon plasma formation in heavy-ion collisions are reviewed. Focus is on a kinetic theory approach to non-equilibrium dynamics, its extension to include the dynamics of color degrees of freedom when applied to the quark-gluon plasma, its quantum field theoretical foundations, and its relationship to both the particle formation stage at the very beginning of the nuclear collision and the hydrodynamic stage at late collision times. The usefulness of this approach to obtain the transport coefficients in the quark-gluon plasma and to derive the collective mode spectrum and damping rates in this phase are discussed. Comments are made on the general difficulty to find appropriated initial conditions to get the kinetic theory started, and a specific model is given that demonstrates that, once given such initial conditions, the system can be followed all the way through into the hydrodynamical regime. 39 refs., 7 figs
Equilibrium: two-dimensional configurations
International Nuclear Information System (INIS)
Anon.
1987-01-01
In Chapter 6, the problem of toroidal force balance is addressed in the simplest, nontrivial two-dimensional geometry, that of an axisymmetric torus. A derivation is presented of the Grad-Shafranov equation, the basic equation describing axisymmetric toroidal equilibrium. The solutions to equations provide a complete description of ideal MHD equilibria: radial pressure balance, toroidal force balance, equilibrium Beta limits, rotational transform, shear, magnetic wall, etc. A wide number of configurations are accurately modeled by the Grad-Shafranov equation. Among them are all types of tokamaks, the spheromak, the reversed field pinch, and toroidal multipoles. An important aspect of the analysis is the use of asymptotic expansions, with an inverse aspect ratio serving as the expansion parameter. In addition, an equation similar to the Grad-Shafranov equation, but for helically symmetric equilibria, is presented. This equation represents the leading-order description low-Beta and high-Beta stellarators, heliacs, and the Elmo bumpy torus. The solutions all correspond to infinitely long straight helices. Bending such a configuration into a torus requires a full three-dimensional calculation and is discussed in Chapter 7
Ploshnik, Elina; Danovich, David; Hiberty, Philippe C; Shaik, Sason
2011-04-12
We describe herein a valence bond (VB) study of 27 triply bonded molecules of the general type X≡Y, where X and Y are main element atoms/fragments from groups 13-15 in the periodic table. The following conclusions were derived from the computational data: (a) Single π-bond and double π-bond energies for the entire set correlate with the "molecular electronegativity", which is the sum of the X and Y electronegativites for X≡Y. The correlation with the molecular electronegativity establishes a simple rule of periodicity: π-bonding strength generally increases from left to right in a period and decreases down a column in the periodic table. (b) The σ frame invariably prefers trans bending, while π-bonding gets destabilized and opposes the trans distortion. In HC≡CH, the π-bonding destabilization overrides the propensity of the σ frame to distort, while in the higher row molecules, the σ frame wins out and establishes trans-bent molecules with 2(1)/2 bonds, in accord with recent experimental evidence based on solid state (29)Si NMR of the Sekiguchi compound. Thus, in the trans-bent molecules "less bonds pay more". (c) All of the π bonds show significant bonding contributions from the resonance energy due to covalent-ionic mixing. This quantity is shown to correlate linearly with the corresponding "molecular electronegativity" and to reflect the mechanism required to satisfy the equilibrium condition for the bond. The π bonds for molecules possessing high molecular electronegativity are charge-shift bonds, wherein bonding is dominated by the resonance energy of the covalent and ionic forms, rather than by either form by itself.
Relativistic distances, sizes, lengths
International Nuclear Information System (INIS)
Strel'tsov, V.N.
1992-01-01
Such notion as light or retarded distance, field size, formation way, visible size of a body, relativistic or radar length and wave length of light from a moving atom are considered. The relation between these notions is cleared up, their classification is given. It is stressed that the formation way is defined by the field size of a moving particle. In the case of the electromagnetic field, longitudinal sizes increase proportionally γ 2 with growing charge velocity (γ is the Lorentz-factor). 18 refs
2016-03-02
whereBψ is any Bregman divergence and ηt is the learning rate parameter. From (Hall & Willett, 2015) we have: Theorem 1. G` = max θ∈Θ,`∈L ‖∇f(θ)‖ φmax = 1...Kullback-Liebler divergence between an initial guess of the matrix that parameterizes the Mahalanobis distance and a solution that satisfies a set of...Bregman divergence and ηt is the learning rate parameter. M̂0, µ̂0 are initialized to some initial value. In [18] a closed-form algorithm for solving
Hydrogen bonded supramolecular materials
Li, Zhan-Ting
2015-01-01
This book is an up-to-date text covering topics in utilizing hydrogen bonding for constructing functional architectures and supramolecular materials. The first chapter addresses the control of photo-induced electron and energy transfer. The second chapter summarizes the formation of nano-porous materials. The following two chapters introduce self-assembled gels, many of which exhibit unique functions. Other chapters cover the advances in supramolecular liquid crystals and the versatility of hydrogen bonding in tuning/improving the properties and performance of materials. This book is designed
Jonsson, Annika; Walter, Tony
2017-08-01
Where do people feel closest to those they have lost? This article explores how continuing bonds with a deceased person can be rooted in a particular place or places. Some conceptual resources are sketched, namely continuing bonds, place attachment, ancestral places, home, reminder theory, and loss of place. The authors use these concepts to analyze interview material with seven Swedes and five Britons who often thought warmly of the deceased as residing in a particular place and often performing characteristic actions. The destruction of such a place, by contrast, could create a troubling, haunting absence, complicating the deceased's absent-presence.
PERBANDINGAN EUCLIDEAN DISTANCE DENGAN CANBERRA DISTANCE PADA FACE RECOGNITION
Directory of Open Access Journals (Sweden)
Sendhy Rachmat Wurdianarto
2014-08-01
Full Text Available Perkembangan ilmu pada dunia komputer sangatlah pesat. Salah satu yang menandai hal ini adalah ilmu komputer telah merambah pada dunia biometrik. Arti biometrik sendiri adalah karakter-karakter manusia yang dapat digunakan untuk membedakan antara orang yang satu dengan yang lainnya. Salah satu pemanfaatan karakter / organ tubuh pada setiap manusia yang digunakan untuk identifikasi (pengenalan adalah dengan memanfaatkan wajah. Dari permasalahan diatas dalam pengenalan lebih tentang aplikasi Matlab pada Face Recognation menggunakan metode Euclidean Distance dan Canberra Distance. Model pengembangan aplikasi yang digunakan adalah model waterfall. Model waterfall beriisi rangkaian aktivitas proses yang disajikan dalam proses analisa kebutuhan, desain menggunakan UML (Unified Modeling Language, inputan objek gambar diproses menggunakan Euclidean Distance dan Canberra Distance. Kesimpulan yang dapat ditarik adalah aplikasi face Recognation menggunakan metode euclidean Distance dan Canverra Distance terdapat kelebihan dan kekurangan masing-masing. Untuk kedepannya aplikasi tersebut dapat dikembangkan dengan menggunakan objek berupa video ataupun objek lainnya. Kata kunci : Euclidean Distance, Face Recognition, Biometrik, Canberra Distance
Distance collaborations with industry
Energy Technology Data Exchange (ETDEWEB)
Peskin, A.; Swyler, K.
1998-06-01
The college industry relationship has been identified as a key policy issue in Engineering Education. Collaborations between academic institutions and the industrial sector have a long history and a bright future. For Engineering and Engineering Technology programs in particular, industry has played a crucial role in many areas including advisement, financial support, and practical training of both faculty and students. Among the most important and intimate interactions are collaborative projects and formal cooperative education arrangements. Most recently, such collaborations have taken on a new dimension, as advances in technology have made possible meaningful technical collaboration at a distance. There are several obvious technology areas that have contributed significantly to this trend. Foremost is the ubiquitous presence of the Internet. Perhaps almost as important are advances in computer based imaging. Because visual images offer a compelling user experience, it affords greater knowledge transfer efficiency than other modes of delivery. Furthermore, the quality of the image appears to have a strongly correlated effect on insight. A good visualization facility offers both a means for communication and a shared information space for the subjects, which are among the essential features of both peer collaboration and distance learning.
Equilibrium calculations and mode analysis
International Nuclear Information System (INIS)
Herrnegger, F.
1987-01-01
The STEP asymptotic stellarator expansion procedure was used to study the MHD equilibrium and stability properties of stellarator configurations without longitudinal net-current, which also apply to advanced stellarators. The effects of toroidal curvature and magnetic well, and the Shafranov shift were investigated. A classification of unstable modes in toroidal stellarators is given. For WVII-A coil-field configurations having a β value of 1% and a parabolic pressure profile, no free-boundary modes are found. This agrees with the experimental fact that unstable behavior of the plasma column is not observed for this parameter range. So a theoretical β-limit for stability against ideal MHD modes can be estimated by mode analysis for the WVII-A device
Stellar Equilibrium in Semiclassical Gravity.
Carballo-Rubio, Raúl
2018-02-09
The phenomenon of quantum vacuum polarization in the presence of a gravitational field is well understood and is expected to have a physical reality, but studies of its backreaction on the dynamics of spacetime are practically nonexistent outside of the specific context of homogeneous cosmologies. Building on previous results of quantum field theory in curved spacetimes, in this Letter we first derive the semiclassical equations of stellar equilibrium in the s-wave Polyakov approximation. It is highlighted that incorporating the polarization of the quantum vacuum leads to a generalization of the classical Tolman-Oppenheimer-Volkoff equation. Despite the complexity of the resulting field equations, it is possible to find exact solutions. Aside from being the first known exact solutions that describe relativistic stars including the nonperturbative backreaction of semiclassical effects, these are identified as a nontrivial combination of the black star and gravastar proposals.
Risk premia in general equilibrium
DEFF Research Database (Denmark)
Posch, Olaf
This paper shows that non-linearities can generate time-varying and asymmetric risk premia over the business cycle. These (empirical) key features become relevant and asset market implications improve substantially when we allow for non-normalities in the form of rare disasters. We employ explici......'s effective risk aversion.......This paper shows that non-linearities can generate time-varying and asymmetric risk premia over the business cycle. These (empirical) key features become relevant and asset market implications improve substantially when we allow for non-normalities in the form of rare disasters. We employ explicit...... solutions of dynamic stochastic general equilibrium models, including a novel solution with endogenous labor supply, to obtain closed-form expressions for the risk premium in production economies. We find that the curvature of the policy functions affects the risk premium through controlling the individual...
Neoclassical equilibrium in gyrokinetic simulations
International Nuclear Information System (INIS)
Garbet, X.; Dif-Pradalier, G.; Nguyen, C.; Sarazin, Y.; Grandgirard, V.; Ghendrih, Ph.
2009-01-01
This paper presents a set of model collision operators, which reproduce the neoclassical equilibrium and comply with the constraints of a full-f global gyrokinetic code. The assessment of these operators is based on an entropy variational principle, which allows one to perform a fast calculation of the neoclassical diffusivity and poloidal velocity. It is shown that the force balance equation is recovered at lowest order in the expansion parameter, the normalized gyroradius, hence allowing one to calculate correctly the radial electric field. Also, the conventional neoclassical transport and the poloidal velocity are reproduced in the plateau and banana regimes. The advantages and drawbacks of the various model operators are discussed in view of the requirements for neoclassical and turbulent transport.
QUIL: a chemical equilibrium code
International Nuclear Information System (INIS)
Lunsford, J.L.
1977-02-01
A chemical equilibrium code QUIL is described, along with two support codes FENG and SURF. QUIL is designed to allow calculations on a wide range of chemical environments, which may include surface phases. QUIL was written specifically to calculate distributions associated with complex equilibria involving fission products in the primary coolant loop of the high-temperature gas-cooled reactor. QUIL depends upon an energy-data library called ELIB. This library is maintained by FENG and SURF. FENG enters into the library all reactions having standard free energies of reaction that are independent of concentration. SURF enters all surface reactions into ELIB. All three codes are interactive codes written to be used from a remote terminal, with paging control provided. Plotted output is also available
Pre-equilibrium gamma emissions
International Nuclear Information System (INIS)
Ghosh, Sudip
1993-01-01
Together with the direct reaction and the compound nuclear emissions the pre-equilibrium (PEQ) or pre-compound processes give a fairly complete picture of nuclear reactions induced by light ions at energies of some tens of MeV. PEQ particle emissions covering the higher energy continuum spectra have been investigated in detail both experimentally and theoretically. In contrast, very little work has been done on PEQ γ- emissions. The reason is that in spite of extensive work done on PEQ particle emissions, the mechanism is not yet fully understood. Also, the PEQ γ-emission cross-sections (∼ micro barns) are very small compared to the PEQ particle emission cross-sections (∼ milli barns). Yet apart from the academic interest the understanding of PEQ γ-emissions is important for applied fusion research etc. In this paper the PEQ γ-emissions is discussed and the work done in this field is reviewed. (author). 14 refs
Equilibrium Analysis in Cake Cutting
DEFF Research Database (Denmark)
Branzei, Simina; Miltersen, Peter Bro
2013-01-01
Cake cutting is a fundamental model in fair division; it represents the problem of fairly allocating a heterogeneous divisible good among agents with different preferences. The central criteria of fairness are proportionality and envy-freeness, and many of the existing protocols are designed...... to guarantee proportional or envy-free allocations, when the participating agents follow the protocol. However, typically, all agents following the protocol is not guaranteed to result in a Nash equilibrium. In this paper, we initiate the study of equilibria of classical cake cutting protocols. We consider one...... of the simplest and most elegant continuous algorithms -- the Dubins-Spanier procedure, which guarantees a proportional allocation of the cake -- and study its equilibria when the agents use simple threshold strategies. We show that given a cake cutting instance with strictly positive value density functions...
Measurement and Theory of Hydrogen Bonding Contribution to Isosteric DNA Base Pairs
Khakshoor, Omid; Wheeler, Steven E.; Houk, K. N.; Kool, Eric T.
2012-01-01
We address the recent debate surrounding the ability of 2,4-difluorotoluene (F), a low-polarity mimic of thymine (T), to form a hydrogen-bonded complex with adenine in DNA. The hydrogen bonding ability of F has been characterized as small to zero in various experimental studies, and moderate to small in computational studies. However, recent X-ray crystallographic studies of difluorotoluene in DNA/RNA have indicated, based on interatomic distances, possible hydrogen bonding interactions betwe...
Amide proton temperature coefficients as hydrogen bond indicators in proteins
International Nuclear Information System (INIS)
Cierpicki, Tomasz; Otlewski, Jacek
2001-01-01
Correlations between amide proton temperature coefficients (Δσ HN /ΔT) and hydrogen bonds were investigated for a data set of 793 amides derived from 14 proteins. For amide protons showing temperature gradients more positive than -4.6 ppb/K there is a hydrogen bond predictivity value exceeding 85%. It increases to over 93% for amides within the range between -4 and -1 ppb/K. Detailed analysis shows an inverse proportionality between amide proton temperature coefficients and hydrogen bond lengths. Furthermore, for hydrogen bonds of similar bond lengths, values of temperature gradients in α-helices are on average 1 ppb/K more negative than in β-sheets. In consequence, a number of amide protons in α-helices involved in hydrogen bonds shorter than 2 A show Δσ HN /ΔT 10 helices and 98% in β-turns have temperature coefficients more positive than -4.6ppb/K. Ring current effect also significantly influences temperature coefficients of amide protons. In seven out of eight cases non-hydrogen bonded amides strongly deshielded by neighboring aromatic rings show temperature coefficients more positive than -2 ppb/K. In general, amide proton temperature gradients do not change with pH unless they correspond to conformational changes. Three examples of pH dependent equilibrium showing hydrogen bond formation at higher pH were found. In conclusion, amide proton temperature coefficients offer an attractive and simple way to confirm existence of hydrogen bonds in NMR determined structures
Hydrogen bonds in concreto and in computro
Stouten, Pieter F. W.; Kroon, Jan
1988-07-01
Molecular dynamics simulations of liquid water and liquid methanol have been carried out. For both liquids an effective pair potential was used. The models were fitted to the heat of vaporization, pressure and various radial distribution functions resulting from diffraction experiments on liquids. In both simulations 216 molecules were put in a cubic periodical ☐. The system was loosely coupled to a temperature bath and to a pressure bath. Following an initial equilibration period relevant data were sampled during 15 ps. The distributions of oxygen—oxygen distances in hydrogen bonds obtained from the two simulations are essentially the same. The distribution obtained from crystal data is somewhat different: the maximum has about the same position, but the curve is much narrower, which can be expected merely from the fact that diffraction experiments only supply average atomic positions and hence average interatomic distances. When thermal motion is taken into account a closer likeness is observed.
Integration of European Bond Markets
DEFF Research Database (Denmark)
Christiansen, Charlotte
2014-01-01
I investigate the time variation in the integration of EU government bond markets. The integration is measured by the explanatory power of European factor portfolios for the individual bond markets for each year. The integration of the government bond markets is stronger for EMU than non-EMU memb......I investigate the time variation in the integration of EU government bond markets. The integration is measured by the explanatory power of European factor portfolios for the individual bond markets for each year. The integration of the government bond markets is stronger for EMU than non...
Lateral interactions and non-equilibrium in surface kinetics
Menzel, Dietrich
2016-08-01
Work modelling reactions between surface species frequently use Langmuir kinetics, assuming that the layer is in internal equilibrium, and that the chemical potential of adsorbates corresponds to that of an ideal gas. Coverage dependences of reacting species and of site blocking are usually treated with simple power law coverage dependences (linear in the simplest case), neglecting that lateral interactions are strong in adsorbate and co-adsorbate layers which may influence kinetics considerably. My research group has in the past investigated many co-adsorbate systems and simple reactions in them. We have collected a number of examples where strong deviations from simple coverage dependences exist, in blocking, promoting, and selecting reactions. Interactions can range from those between next neighbors to larger distances, and can be quite complex. In addition, internal equilibrium in the layer as well as equilibrium distributions over product degrees of freedom can be violated. The latter effect leads to non-equipartition of energy over molecular degrees of freedom (for products) or non-equal response to those of reactants. While such behavior can usually be described by dynamic or kinetic models, the deeper reasons require detailed theoretical analysis. Here, a selection of such cases is reviewed to exemplify these points.
Amalgam shear bond strength to dentin using different bonding agents.
Vargas, M A; Denehy, G E; Ratananakin, T
1994-01-01
This study evaluated the shear bond strength of amalgam to dentin using five different bonding agents: Amalgambond Plus, Optibond, Imperva Dual, All-Bond 2, and Clearfil Liner Bond. Flat dentin surfaces obtained by grinding the occlusal portion of 50 human third molars were used for this study. To contain the amalgam on the tooth surface, cylindrical plastic molds were placed on the dentin and secured with sticky wax. The bonding agents were then applied according to the manufacturers' instructions or light activated and Tytin amalgam was condensed into the plastic molds. The samples were thermocycled and shear bond strengths were determined using an Instron Universal Testing Machine. Analysis by one-way ANOVA indicated significant difference between the five groups (P < 0.05). The bond strength of amalgam to dentin was significantly higher with Amalgambond Plus using the High-Performance Additive than with the other four bonding agents.
Equilibrium Solubility of CO2 in Alkanolamines
DEFF Research Database (Denmark)
Waseem Arshad, Muhammad; Fosbøl, Philip Loldrup; von Solms, Nicolas
2014-01-01
Equilibrium solubility of CO2 were measured in aqueous solutions of Monoethanolamine (MEA) and N,N-diethylethanolamine(DEEA). Equilibrium cells are generally used for these measurements. In this study, the equilibrium data were measured from the calorimetry. For this purpose a reaction calorimeter...... (model CPA 122 from ChemiSens AB, Sweden) was used. The advantage of this method is being the measurement of both heats of absorption and equilibrium solubility data of CO2 at the same time. The measurements were performed for 30 mass % MEA and 5M DEEA solutions as a function of CO2 loading at three...... different temperatures 40, 80 and 120 ºC. The measured 30 mass % MEA and 5M DEEA data were compared with the literature data obtained from different equilibrium cells which validated the use of calorimeters for equilibrium solubility measurements....
Interactive Distance Learning in Connecticut.
Pietras, Jesse John; Murphy, Robert J.
This paper provides an overview of distance learning activities in Connecticut and addresses the feasibility of such activities. Distance education programs have evolved from the one dimensional electronic mail systems to the use of sophisticated digital fiber networks. The Middlesex Distance Learning Consortium has developed a long-range plan to…
Distance covariance for stochastic processes
DEFF Research Database (Denmark)
Matsui, Muneya; Mikosch, Thomas Valentin; Samorodnitsky, Gennady
2017-01-01
The distance covariance of two random vectors is a measure of their dependence. The empirical distance covariance and correlation can be used as statistical tools for testing whether two random vectors are independent. We propose an analog of the distance covariance for two stochastic processes...
Convertible bond valuation focusing on Chinese convertible bond market
Yang, Ke
2010-01-01
This paper mainly discusses the methods of valuation of convertible bonds in Chinese market. Different from common convertible bonds in European market, considering the complicate features of Chinese convertible bond, this paper represents specific pricing approaches for pricing convertible bonds with different provisions along with the increment of complexity of these provisions. More specifically, this paper represents the decomposing method and binomial tree method for pricing both of Non-...
DISTANCES TO DARK CLOUDS: COMPARING EXTINCTION DISTANCES TO MASER PARALLAX DISTANCES
International Nuclear Information System (INIS)
Foster, Jonathan B.; Jackson, James M.; Stead, Joseph J.; Hoare, Melvin G.; Benjamin, Robert A.
2012-01-01
We test two different methods of using near-infrared extinction to estimate distances to dark clouds in the first quadrant of the Galaxy using large near-infrared (Two Micron All Sky Survey and UKIRT Infrared Deep Sky Survey) surveys. Very long baseline interferometry parallax measurements of masers around massive young stars provide the most direct and bias-free measurement of the distance to these dark clouds. We compare the extinction distance estimates to these maser parallax distances. We also compare these distances to kinematic distances, including recent re-calibrations of the Galactic rotation curve. The extinction distance methods agree with the maser parallax distances (within the errors) between 66% and 100% of the time (depending on method and input survey) and between 85% and 100% of the time outside of the crowded Galactic center. Although the sample size is small, extinction distance methods reproduce maser parallax distances better than kinematic distances; furthermore, extinction distance methods do not suffer from the kinematic distance ambiguity. This validation gives us confidence that these extinction methods may be extended to additional dark clouds where maser parallaxes are not available.
Mathematical models and equilibrium in irreversible microeconomics
Directory of Open Access Journals (Sweden)
Anatoly M. Tsirlin
2010-07-01
Full Text Available A set of equilibrium states in a system consisting of economic agents, economic reservoirs, and firms is considered. Methods of irreversible microeconomics are used. We show that direct sale/purchase leads to an equilibrium state which depends upon the coefficients of supply/demand functions. To reach the unique equilibrium state it is necessary to add either monetary exchange or an intermediate firm.
Directory of Open Access Journals (Sweden)
Mehdi Ravadgar
2013-09-01
Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP in the second group, TBXT composite was bonded with the conventional method of acid etching and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.
Directory of Open Access Journals (Sweden)
Mehdi Ravadgar
2013-09-01
Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP; in the second group, TBXT composite was bonded with the conventional method of acid etching; and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.
Short Carboxylic Acid–Carboxylate Hydrogen Bonds Can Have Fully Localized Protons
Energy Technology Data Exchange (ETDEWEB)
Lin, Jiusheng; Pozharski, Edwin; Wilson, Mark A.
2017-01-17
Short hydrogen bonds (H-bonds) have been proposed to play key functional roles in several proteins. The location of the proton in short H-bonds is of central importance, as proton delocalization is a defining feature of low-barrier hydrogen bonds (LBHBs). Experimentally determining proton location in H-bonds is challenging. Here, bond length analysis of atomic (1.15–0.98 Å) resolution X-ray crystal structures of the human protein DJ-1 and its bacterial homologue, YajL, was used to determine the protonation states of H-bonded carboxylic acids. DJ-1 contains a buried, dimer-spanning 2.49 Å H-bond between Glu15 and Asp24 that satisfies standard donor–acceptor distance criteria for a LBHB. Bond length analysis indicates that the proton is localized on Asp24, excluding a LBHB at this location. However, similar analysis of the Escherichia coli homologue YajL shows both residues may be protonated at the H-bonded oxygen atoms, potentially consistent with a LBHB. A Protein Data Bank-wide screen identifies candidate carboxylic acid H-bonds in approximately 14% of proteins, which are typically short [
Molecularly Tuning the Radicaloid N-H···O═C Hydrogen Bond.
Lu, Norman; Chung, Wei-Cheng; Ley, Rebecca M; Lin, Kwan-Yu; Francisco, Joseph S; Negishi, Ei-Ichi
2016-03-03
Substituent effects on the open shell N-H···O═C hydrogen-bond has never been reported. This study examines how 12 functional groups composed of electron donating groups (EDG), halogen atoms and electron withdrawing groups (EWG) affect the N-H···O═C hydrogen-bond properties in a six-membered cyclic model system of O═C(Y)-CH═C(X)N-H. It is found that group effects on this open shell H-bonding system are significant and have predictive trends when X = H and Y is varied. When Y is an EDG, the N-H···O═C hydrogen-bond is strengthened; and when Y is an EWG, the bond is weakened; whereas the variation in electronic properties of X group do not exhibit a significant impact upon the hydrogen bond strength. The structural impact of the stronger N-H···O═C hydrogen-bond are (1) shorter H and O distance, r(H···O) and (2) a longer N-H bond length, r(NH). The stronger N-H···O═C hydrogen-bond also acts to pull the H and O in toward one another which has an effect on the bond angles. Our findings show that there is a linear relationship between hydrogen-bond angle and N-H···O═C hydrogen-bond energy in this unusual H-bonding system. In addition, there is a linear correlation of the r(H···O) and the hydrogen bond energy. A short r(H···O) distance corresponds to a large hydrogen bond energy when Y is varied. The observed trends and findings have been validated using three different methods (UB3LYP, M06-2X, and UMP2) with two different basis sets.
The effects of government bond purchases on leverage constraints of banks and non-financial firms
Kühl, Michael
2016-01-01
This paper investigates how government bond purchases affect leverage-constrained banks and non-financial firms by utilising a stochastic general equilibrium model. My results indicate that government bond purchases not only reduce non-financial firms' borrowing costs, amplified through a reduction in expected defaults, but also lower banks' profit margins. In an economy in which loans priced at par dominate in banks' balance sheets - as a reflection of the euro area's structure - the leverag...
Collapse and equilibrium of rotating, adiabatic clouds
International Nuclear Information System (INIS)
Boss, A.P.
1980-01-01
A numerical hydrodynamics computer code has been used to follow the collapse and establishment of equilibrium of adiabatic gas clouds restricted to axial symmetry. The clouds are initially uniform in density and rotation, with adiabatic exponents γ=5/3 and 7/5. The numerical technique allows, for the first time, a direct comparison to be made between the dynamic collapse and approach to equilibrium of unconstrained clouds on the one hand, and the results for incompressible, uniformly rotating equilibrium clouds, and the equilibrium structures of differentially rotating polytropes, on the other hand
Equilibrium sampling by reweighting nonequilibrium simulation trajectories.
Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin
2016-03-01
Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.
Static Equilibrium Configurations of Charged Metallic Bodies
African Journals Online (AJOL)
Key words: Static equilibrium, charged metallic body, potential energy, projected gradient method. ... television, radio, internet, microwave ovens, mobile telephones, satellite communication systems, radar systems, electrical motors, electrical.
Asteroid Shapes Are Always Close To Fluid Equilibrium
Tanga, Paolo; Comito, C.; Hestroffer, D.; Richardson, D. C.
2010-10-01
The simple evidence that asteroid are composed by solid rocks suggests that their shape can be rather far from the theoretical equilibrium for rotating fluid bodies. The possible fragmented ("rubble-pile") nature of most of them has suggested interpretations based on elasto-plastic models (such as the Mohr-Coulomb theory) that take into account the static behavior of a granular structure. However, these approaches did not incorporate explicitly the possible evolution of shapes in time due to external factors such as crater forming impacts or tidal deformations. We revisited the theory of equilibrium shapes for fluids, quantitatively evaluating - by appropriate metrics - the distance of the observed shapes from fluid equilibrium. This distance turns out to be much smaller than previously expected. On the basis of this evidence, we simulated numerically the evolution of gravitational aggregates having a small degree of internal friction, consistent with the theoretical findings. Our results offer a global scenario for the evolution of asteroid shapes under the action of gradual stresses due to minor impacts, tidal forces and seismic shaking. We show that actual asteroid shapes are consistent with the evolution of aggregates tending towards minimum free energy states. We are able to explain the samples of observed shapes obtained by different techniques. Our findings strongly support a highly porous and fragmented nature for most asteroids, at least in an external layer. Reference: Tanga et al. 2009: ApJ Letters, 706, 1, L197-L202 Acknowledgments: PT and CC have been supported by the "Programme Nationale de Planetologie" of France; DCR acknowledges support by the NASA (grant no. NNX08AM39G issued through the Office of Space Science) and by the NSF (grant no. AST0708110).
Equilibrium properties of proximity effect
International Nuclear Information System (INIS)
Esteve, D.; Pothier, H.; Gueron, S.; Birge, N.O.; Devoret, M.
1996-01-01
The proximity effect in diffusive normal-superconducting (NS) nano-structures is described by the Usadel equations for the electron pair correlations. We show that these equations obey a variational principle with a potential which generalizes the Ginzburg-Landau energy functional. We discuss simple examples of NS circuits using this formalism. In order to test the theoretical predictions of the Usadel equations, we have measured the density of states as a function of energy on a long N wire in contact with a S wire at one end, at different distances from the NS interface. (authors)
Equilibrium properties of proximity effect
Energy Technology Data Exchange (ETDEWEB)
Esteve, D.; Pothier, H.; Gueron, S.; Birge, N.O.; Devoret, M.
1996-12-31
The proximity effect in diffusive normal-superconducting (NS) nano-structures is described by the Usadel equations for the electron pair correlations. We show that these equations obey a variational principle with a potential which generalizes the Ginzburg-Landau energy functional. We discuss simple examples of NS circuits using this formalism. In order to test the theoretical predictions of the Usadel equations, we have measured the density of states as a function of energy on a long N wire in contact with a S wire at one end, at different distances from the NS interface. (authors). 12 refs.
Cohesive zone model for direct silicon wafer bonding
Kubair, D. V.; Spearing, S. M.
2007-05-01
Direct silicon wafer bonding and decohesion are simulated using a spectral scheme in conjunction with a rate-dependent cohesive model. The cohesive model is derived assuming the presence of a thin continuum liquid layer at the interface. Cohesive tractions due to the presence of a liquid meniscus always tend to reduce the separation distance between the wafers, thereby opposing debonding, while assisting the bonding process. In the absence of the rate-dependence effects the energy needed to bond a pair of wafers is equal to that needed to separate them. When rate-dependence is considered in the cohesive law, the experimentally observed asymmetry in the energetics can be explained. The derived cohesive model has the potential to form a bridge between experiments and a multiscale-modelling approach to understand the mechanics of wafer bonding.
Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks
Kachan, Devin Michael
speculate that cells take advantage of this equilibrium effect by tuning near the transition point, where small changes in free cross-linker density will affect large structural rearrangements between free filament networks and networks of bundles. Cells are naturally found far from equilibrium, where the active influx of energy from ATP consumption controls the dynamics. Motor proteins actively generate forces within biopolymer networks, and one may ask how these differ from the random stresses characteristic of equilibrium fluctuations. Besides the trivial observation that the magnitude is independent of temperature, I find that the processive nature of the motors creates a temporally correlated, or colored, noise spectrum. I model the network with a nonlinear scalar elastic theory in the presence of active driving, and study the long distance and large scale properties of the system with renormalization group techniques. I find that there is a new critical point associated with diverging correlation time, and that the colored noise produces novel frequency dependence in the renormalized transport coefficients. Finally, I study marginally elastic solids which have vanishing shear modulus due to the presence of soft modes, modes with zero deformation cost. Although network coordination is a useful metric for determining the mechanical response of random spring networks in mechanical equilibrium, it is insufficient for describing networks under external stress. In particular, under-constrained networks which are fluid-like at zero load will dynamically stiffen at a critical strain, as observed in numerical simulations and experimentally in many biopolymer networks. Drawing upon analogies to the stress induced unjamming of emulsions, I develop a kinetic theory to explain the rigidity transition in spring and filament networks. Describing the dynamic evolution of non-affine deformation via a simple mechanistic picture, I recover the emergent nonlinear strain
Kolano, Christoph; Helbing, Jan; Sander, Wolfram; Hamm, Peter
Transient two-dimensional infrared spectroscopy (T2D-IR) has been used to observe in real time the non-equilibrium structural dynamics of intramolecular hydrogen bond breaking in a small cyclic disulfide-bridged peptide.
Why are Hydrogen Bonds Directional?
Indian Academy of Sciences (India)
century and most chemists appear to think of 'chemi- cal bond' as ..... These complexes, in their global min- ima, have ... taneously act as hydrogen bond donor and acceptor displaying ... also has a local minimum, which is linear and similar to.
Directory of Open Access Journals (Sweden)
Kožul Nataša
2014-01-01
Full Text Available In the broadest sense, yield curve indicates the market's view of the evolution of interest rates over time. However, given that cost of borrowing it closely linked to creditworthiness (ability to repay, different yield curves will apply to different currencies, market sectors, or even individual issuers. As government borrowing is indicative of interest rate levels available to other market players in a particular country, and considering that bond issuance still remains the dominant form of sovereign debt, this paper describes yield curve construction using bonds. The relationship between zero-coupon yield, par yield and yield to maturity is given and their usage in determining curve discount factors is described. Their usage in deriving forward rates and pricing related derivative instruments is also discussed.
Ahlberg, Johan; Jansson, Anton
2016-01-01
Hybrid securities do not constitute a new phenomenon in the Swedish capital markets. Most commonly, hybrids issued by Swedish real estate companies in recent years are preference shares. Corporate hybrid bonds on the other hand may be considered as somewhat of a new-born child in the family of hybrid instruments. These do, as all other hybrid securities, share some equity-like and some debt-like characteristics. Nevertheless, since 2013 the interest for the instrument has grown rapidly and ha...
Barrieu, Pauline; Louberge, Henri
2009-01-01
Natural catastrophes attract regularly the attention of media and have become a source of public concern. From a financial viewpoint, natural catastrophes represent idiosyncratic risks, diversifiable at the world level. But for reasons analyzed in this paper reinsurance markets are unable to cope with this risk completely. Insurance-linked securities, such as cat bonds, have been issued to complete the international risk transfer process, but their development is disappointing so far. This pa...
Optimal Investment in Structured Bonds
DEFF Research Database (Denmark)
Jessen, Pernille; Jørgensen, Peter Løchte
The paper examines the role of structured bonds in the optimal portfolio of a small retail investor. We consider the typical structured bond essentially repacking an exotic option and a zero coupon bond, i.e. an investment with portfolio insurance. The optimal portfolio is found when the investment...
2010-10-01
... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form 25...
Planning with Reachable Distances
Tang, Xinyu
2009-01-01
Motion planning for spatially constrained robots is difficult due to additional constraints placed on the robot, such as closure constraints for closed chains or requirements on end effector placement for articulated linkages. It is usually computationally too expensive to apply sampling-based planners to these problems since it is difficult to generate valid configurations. We overcome this challenge by redefining the robot\\'s degrees of freedom and constraints into a new set of parameters, called reachable distance space (RD-space), in which all configurations lie in the set of constraint-satisfying subspaces. This enables us to directly sample the constrained subspaces with complexity linear in the robot\\'s number of degrees of freedom. In addition to supporting efficient sampling, we show that the RD-space formulation naturally supports planning, and in particular, we design a local planner suitable for use by sampling-based planners. We demonstrate the effectiveness and efficiency of our approach for several systems including closed chain planning with multiple loops, restricted end effector sampling, and on-line planning for drawing/sculpting. We can sample single-loop closed chain systems with 1000 links in time comparable to open chain sampling, and we can generate samples for 1000-link multi-loop systems of varying topology in less than a second. © 2009 Springer-Verlag.
A new equilibrium trading model with asymmetric information
Directory of Open Access Journals (Sweden)
Lianzhang Bao
2018-03-01
Full Text Available Taking arbitrage opportunities into consideration in an incomplete market, dealers will pricebonds based on asymmetric information. The dealer with the best offering price wins the bid. The riskpremium in dealer’s offering price is primarily determined by the dealer’s add-on rate of change tothe term structure. To optimize the trading strategy, a new equilibrium trading model is introduced.Optimal sequential estimation scheme for detecting the risk premium due to private inforamtion isproposed based on historical prices, and the best bond pricing formula is given with the accordingoptimal trading strategy. Numerical examples are provided to illustrate the economic insights underthe certain stochastic term structure interest rate models.
RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS
Energy Technology Data Exchange (ETDEWEB)
Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)
2015-12-15
We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.
The chemical bond in inorganic chemistry the bond valence model
Brown, I David
2016-01-01
The bond valence model is a version of the ionic model in which the chemical constraints are expressed in terms of localized chemical bonds formed by the valence charge of the atoms. Theorems derived from the properties of the electrostatic flux predict the rules obeyed by both ionic and covalent bonds. They make quantitative predictions of coordination number, crystal structure, bond lengths and bond angles. Bond stability depends on the matching of the bonding strengths of the atoms, while the conflicting requirements of chemistry and space lead to the structural instabilities responsible for the unusual physical properties displayed by some materials. The model has applications in many fields ranging from mineralogy to molecular biology.
Equilibrium figures in geodesy and geophysics.
Moritz, H.
There is an enormous literature on geodetic equilibrium figures, but the various works have not always been interrelated, also for linguistic reasons (English, French, German, Italian, Russian). The author attempts to systematize the various approaches and to use the standard second-order theory for a study of the deviation of the actual earth and of the equipotential reference ellipsoid from an equilibrium figure.
Equilibrium theory of island biogeography: A review
Angela D. Yu; Simon A. Lei
2001-01-01
The topography, climatic pattern, location, and origin of islands generate unique patterns of species distribution. The equilibrium theory of island biogeography creates a general framework in which the study of taxon distribution and broad island trends may be conducted. Critical components of the equilibrium theory include the species-area relationship, island-...
Gibbs equilibrium averages and Bogolyubov measure
International Nuclear Information System (INIS)
Sankovich, D.P.
2011-01-01
Application of the functional integration methods in equilibrium statistical mechanics of quantum Bose-systems is considered. We show that Gibbs equilibrium averages of Bose-operators can be represented as path integrals over a special Gauss measure defined in the corresponding space of continuous functions. We consider some problems related to integration with respect to this measure
Do intertidal flats ever reach equilibrium?
Maan, D.C.; van Prooijen, B.C.; Wang, Z.B.; de Vriend, H.J.
2015-01-01
Various studies have identified a strong relation between the hydrodynamic forces and the equilibrium profile for intertidal flats. A thorough understanding of the interplay between the hydrodynamic forces and the morphology, however, concerns more than the equilibrium state alone. We study the
Vertical field and equilibrium calculation in ETE
International Nuclear Information System (INIS)
Montes, Antonio; Shibata, Carlos Shinya.
1996-01-01
The free-boundary MHD equilibrium code HEQ is used to study the plasma behaviour in the tokamak ETE, with optimized compensations coils and vertical field coils. The changes on the equilibrium parameters for different plasma current values are also investigated. (author). 5 refs., 4 figs., 2 tabs
Statistical thermodynamics of equilibrium polymers at interfaces
Gucht, van der J.; Besseling, N.A.M.
2002-01-01
The behavior of a solution of equilibrium polymers (or living polymers) at an interface is studied, using a Bethe-Guggenheim lattice model for molecules with orientation dependent interactions. The density profile of polymers and the chain length distribution are calculated. For equilibrium polymers
Non-equilibrium modelling of distillation
Wesselingh, JA; Darton, R
1997-01-01
There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase
Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio
2015-01-01
A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…
On the definition of equilibrium and non-equilibrium states in dynamical systems
Akimoto, Takuma
2008-01-01
We propose a definition of equilibrium and non-equilibrium states in dynamical systems on the basis of the time average. We show numerically that there exists a non-equilibrium non-stationary state in the coupled modified Bernoulli map lattice.
Hydrogen bonding in ionic liquids.
Hunt, Patricia A; Ashworth, Claire R; Matthews, Richard P
2015-03-07
Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic and aprotic) are bifurcated and chelating, and unlike many molecular liquids a significant variety of distinct H-bonds are formed between different types and numbers of donor and acceptor sites within a given IL. Traditional more neutral H-bonds can also be formed in functionalised ILs, adding a further level of complexity. Ab initio computed parameters; association energies, partial charges, density descriptors as encompassed by the QTAIM methodology (ρBCP), qualitative molecular orbital theory and NBO analysis provide established and robust mechanisms for understanding and interpreting traditional neutral and ionic H-bonds. In this review the applicability and extension of these parameters to describe and quantify the doubly ionic H-bond has been explored. Estimating the H-bonding energy is difficult because at a fundamental level the H-bond and ionic interaction are coupled. The NBO and QTAIM methodologies, unlike the total energy, are local descriptors and therefore can be used to directly compare neutral, ionic and doubly ionic H-bonds. The charged nature of the ions influences the ionic characteristics of the H-bond and vice versa, in addition the close association of the ions leads to enhanced orbital overlap and covalent contributions. The charge on the ions raises the energy of the Ylp and lowers the energy of the X-H σ* NBOs resulting in greater charge transfer, strengthening the H-bond. Using this range of parameters and comparing doubly ionic H-bonds to more traditional neutral and ionic H-bonds it is clear that doubly ionic H-bonds cover the full range of weak
Information-theoretic equilibrium and observable thermalization
Anzà, F.; Vedral, V.
2017-03-01
A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.
Disturbances in equilibrium function after major earthquake.
Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi
2012-01-01
Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.
Are contemporary tourists consuming distance?
DEFF Research Database (Denmark)
Larsen, Gunvor Riber
2012. Background The background for this research, which explores how tourists represent distance and whether or not distance can be said to be consumed by contemporary tourists, is the increasing leisure mobility of people. Travelling for the purpose of visiting friends and relatives is increasing...... of understanding mobility at a conceptual level, and distance matters to people's manifest mobility: how they travel and how far they travel are central elements of their movements. Therefore leisure mobility (indeed all mobility) is the activity of relating across distance, either through actual corporeal...... metric representation. These representations are the focus for this research. Research Aim and Questions The aim of this research is thus to explore how distance is being represented within the context of leisure mobility. Further the aim is to explore how or whether distance is being consumed...
International Nuclear Information System (INIS)
Boldyrev, A.I.; Simons, J.
1992-01-01
Chemical binding of two monovalent Rydberg species to form a singlet-state Rydberg dimer molecule is predicted to be possible Ab initio electronic structure methods that include electron correlation (at levels up through QCISD(T)/6-31++G** MP2(full)/6-31++G** + ZPE) are shown to be essential to achieving a proper description of such bonding. The (NH 4 ) molecule, selected as the prototype for this study, is shown to be bound with respect to its Rydberg-species fragments, 2NH 4 by 7.5-9.7 kcal/mol, depending on the level of treatment of electron correlation, and to be electronically stable (by ca.4 eV) with respect to (NH 4 ) 2 + at the neutral's equilibrium geometry. The (NH 4 ) 2 Rydberg dimer is thermodynamically unstable with respect to 2NH 3 + H 2 by 86-89 kcal/mol mol yet possesses all real vibrational frequencies; it is thus a metastable molecular held together by a weak Rydberg bond. The dissociation energy of the (NH 4 ) 2 + cation to form NH 4 + + NH 4 is found to be larger than that of the neutral (NH 4 ) 2 . 12 refs., 4 figs., 9 tabs
Distance : between deixis and perspectivity
Meermann, Anastasia; Sonnenhauser, Barbara
2015-01-01
Discussing exemplary applications of the notion of distance in linguistic analysis, this paper shows that very different phenomena are described in terms of this concept. It is argued that in order to overcome the problems arising from this mixup, deixis, distance and perspectivity have to be distinguished and their interrelations need to be described. Thereby, distance emerges as part of a recursive process mediating between situation-bound deixis and discourse-level perspectivity. This is i...
Chalcogen- and halogen-bonds involving SX2 (X = F, Cl, and Br) with formaldehyde.
Mo, Lixin; Zeng, Yanli; Li, Xiaoyan; Zhang, Xueying; Meng, Lingpeng
2016-07-01
The capacity of SX2 (X = F, Cl, and Br) to engage in different kinds of noncovalent bonds was investigated by ab initio calculations. SCl2 (SBr2) has two σ-holes upon extension of Cl (Br)-S bonds, and two σ-holes upon extension of S-Cl (Br) bonds. SF2 contains only two σ-holes upon extension of the F-S bond. Consequently, SCl2 and SBr2 form chalcogen and halogen bonds with the electron donor H2CO while SF2 forms only a chalcogen bond, i.e., no F···O halogen bond was found in the SF2:H2CO complex. The S···O chalcogen bond between SF2 and H2CO is the strongest, while the strongest halogen bond is Br···O between SBr2 and H2CO. The nature of these two types of noncovalent interaction was probed by a variety of methods, including molecular electrostatic potentials, QTAIM, energy decomposition, and electron density shift maps. Termolecular complexes X2S···H2CO···SX'2 (X = F, Cl, Br, and X' = Cl, Br) were constructed to study the interplay between chalcogen bonds and halogen bonds. All these complexes contained S···O and Cl (Br)···O bonds, with longer intermolecular distances, smaller values of electron density, and more positive three-body interaction energies, indicating negative cooperativity between the chalcogen bond and the halogen bond. In addition, for all complexes studied, interactions involving chalcogen bonds were more favorable than those involving halogen bonds. Graphical Abstract Molecular electrostatic potential and contour map of the Laplacian of the electron density in Cl2S···H2CO···SCl2 complex.
Isospin equilibrium and non-equilibrium in heavy-ion collisions at intermediate energies
International Nuclear Information System (INIS)
Chen Liewen; Ge Lingxiao; Zhang Xiaodong; Zhang Fengshou
1997-01-01
The equilibrium and non-equilibrium of the isospin degree of freedom are studied in terms of an isospin-dependent QMD model, which includes isospin-dependent symmetry energy, Coulomb energy, N-N cross sections and Pauli blocking. It is shown that there exists a transition from the isospin equilibrium to non-equilibrium as the incident energy from below to above a threshold energy in central, asymmetric heavy-ion collisions. Meanwhile, it is found that the phenomenon results from the co-existence and competition of different reaction mechanisms, namely, the isospin degree of freedom reaches an equilibrium if the incomplete fusion (ICF) component is dominant and does not reach equilibrium if the fragmentation component is dominant. Moreover, it is also found that the isospin-dependent N-N cross sections and symmetry energy are crucial for the equilibrium of the isospin degree of freedom in heavy-ion collisions around the Fermi energy. (author)
Local Nash equilibrium in social networks.
Zhang, Yichao; Aziz-Alaoui, M A; Bertelle, Cyrille; Guan, Jihong
2014-08-29
Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.
Teaching Chemical Equilibrium with the Jigsaw Technique
Doymus, Kemal
2008-03-01
This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students’ understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes was randomly assigned as the non-jigsaw group (control) and other as the jigsaw group (cooperative). Students participating in the jigsaw group were divided into four “home groups” since the topic chemical equilibrium is divided into four subtopics (Modules A, B, C and D). Each of these home groups contained four students. The groups were as follows: (1) Home Group A (HGA), representin g the equilibrium state and quantitative aspects of equilibrium (Module A), (2) Home Group B (HGB), representing the equilibrium constant and relationships involving equilibrium constants (Module B), (3) Home Group C (HGC), representing Altering Equilibrium Conditions: Le Chatelier’s principle (Module C), and (4) Home Group D (HGD), representing calculations with equilibrium constants (Module D). The home groups then broke apart, like pieces of a jigsaw puzzle, and the students moved into jigsaw groups consisting of members from the other home groups who were assigned the same portion of the material. The jigsaw groups were then in charge of teaching their specific subtopic to the rest of the students in their learning group. The main data collection tool was a Chemical Equilibrium Achievement Test (CEAT), which was applied to both the jigsaw and non-jigsaw groups The results indicated that the jigsaw group was more successful than the non-jigsaw group (individual learning method).
Nonideal plasmas as non-equilibrium media
International Nuclear Information System (INIS)
Morozov, I V; Norman, G E; Valuev, A A; Valuev, I A
2003-01-01
Various aspects of the collective behaviour of non-equilibrium nonideal plasmas are studied. The relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics (MD) method for two-component non-degenerate strongly non-equilibrium plasmas. The initial non-exponential stage, its duration and the subsequent exponential stage of the relaxation process are studied for a wide range of ion charge, nonideality parameter and ion mass. A simulation model of the nonideal plasma excited by an electron beam is proposed. An approach is developed to calculate the dynamic structure factor in non-stationary conditions. Instability increment is obtained from MD simulations
MHD equilibrium identification on ASDEX-Upgrade
International Nuclear Information System (INIS)
McCarthy, P.J.; Schneider, W.; Lakner, K.; Zehrfeld, H.P.; Buechl, K.; Gernhardt, J.; Gruber, O.; Kallenbach, A.; Lieder, G.; Wunderlich, R.
1992-01-01
A central activity accompanying the ASDEX-Upgrade experiment is the analysis of MHD equilibria. There are two different numerical methods available, both using magnetic measurements which reflect equilibrium states of the plasma. The first method proceeds via a function parameterization (FP) technique, which uses in-vessel magnetic measurements to calculate up to 66 equilibrium parameters. The second method applies an interpretative equilibrium code (DIVA) for a best fit to a different set of magnetic measurements. Cross-checks with the measured particle influxes from the inner heat shield and the divertor region and with visible camera images of the scrape-off layer are made. (author) 3 refs., 3 figs
Numerical method for partial equilibrium flow
International Nuclear Information System (INIS)
Ramshaw, J.D.; Cloutman, L.D.; Los Alamos, New Mexico 87545)
1981-01-01
A numerical method is presented for chemically reactive fluid flow in which equilibrium and nonequilibrium reactions occur simultaneously. The equilibrium constraints on the species concentrations are established by a quadratic iterative procedure. If the equilibrium reactions are uncoupled and of second or lower order, the procedure converges in a single step. In general, convergence is most rapid when the reactions are weakly coupled. This can frequently be achieved by a judicious choice of the independent reactions. In typical transient calculations, satisfactory accuracy has been achieved with about five iterations per time step
The Conceptual Change Approach to Teaching Chemical Equilibrium
Canpolat, Nurtac; Pinarbasi, Tacettin; Bayrakceken, Samih; Geban, Omer
2006-01-01
This study investigates the effect of a conceptual change approach over traditional instruction on students' understanding of chemical equilibrium concepts (e.g. dynamic nature of equilibrium, definition of equilibrium constant, heterogeneous equilibrium, qualitative interpreting of equilibrium constant, changing the reaction conditions). This…
Neutron diffraction of α, β and γ cyclodextrins: hydrogen bonding patterns
International Nuclear Information System (INIS)
Hingerty, B.E.; Klar, B.; Hardgrove, G.; Betzel, C.; Saenger, W.
1983-01-01
Cyclodextrins (CD's) are torus-shaped molecules composed of six (α), seven (β) or eight (γ) (1 → 4) linked glucoses. α-CD has been shown to have two different structures with well-defined hydrogen bonds, one tense and the other relaxed. An induced-fit-like mechanism for α-CD complex formation has been proposed. Circular hydrogen bond networks have also been found for α-CD due to the energetically favored cooperative effect. β-CD with a disordered water structure possesses an unusual flip-flop hydrogen bonding system of the type O-H H-O representing an equilibrium between two states; O-H O reversible H-O. γ-CD with a disordered water structure similar to β-CD also possesses the flip-flop hydrogen bond. This study demonstrates that hydrogen bonds are operative in disordered systems and display dynamics even in the solid state
Energy Technology Data Exchange (ETDEWEB)
McQuinn, Kristen B. W. [University of Texas at Austin, McDonald Observatory, 2515 Speedway, Stop C1400 Austin, TX 78712 (United States); Skillman, Evan D. [Minnesota Institute for Astrophysics, School of Physics and Astronomy, 116 Church Street, SE, University of Minnesota, Minneapolis, MN 55455 (United States); Dolphin, Andrew E. [Raytheon Company, 1151 E. Hermans Road, Tucson, AZ 85756 (United States); Berg, Danielle [Center for Gravitation, Cosmology and Astrophysics, Department of Physics, University of Wisconsin Milwaukee, 1900 East Kenwood Boulevard, Milwaukee, WI 53211 (United States); Kennicutt, Robert, E-mail: kmcquinn@astro.as.utexas.edu [Institute for Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom)
2016-11-01
M104 (NGC 4594; the Sombrero galaxy) is a nearby, well-studied elliptical galaxy included in scores of surveys focused on understanding the details of galaxy evolution. Despite the importance of observations of M104, a consensus distance has not yet been established. Here, we use newly obtained Hubble Space Telescope optical imaging to measure the distance to M104 based on the tip of the red giant branch (TRGB) method. Our measurement yields the distance to M104 to be 9.55 ± 0.13 ± 0.31 Mpc equivalent to a distance modulus of 29.90 ± 0.03 ± 0.07 mag. Our distance is an improvement over previous results as we use a well-calibrated, stable distance indicator, precision photometry in a optimally selected field of view, and a Bayesian maximum likelihood technique that reduces measurement uncertainties. The most discrepant previous results are due to Tully–Fisher method distances, which are likely inappropriate for M104 given its peculiar morphology and structure. Our results are part of a larger program to measure accurate distances to a sample of well-known spiral galaxies (including M51, M74, and M63) using the TRGB method.
Energy Technology Data Exchange (ETDEWEB)
McQuinn, Kristen B. W. [University of Texas at Austin, McDonald Observatory, 2515 Speedway, Stop C1400 Austin, TX 78712 (United States); Skillman, Evan D. [Minnesota Institute for Astrophysics, School of Physics and Astronomy, 116 Church Street, S.E., University of Minnesota, Minneapolis, MN 55455 (United States); Dolphin, Andrew E. [Raytheon Company, 1151 E. Hermans Road, Tucson, AZ 85756 (United States); Berg, Danielle [Center for Gravitation, Cosmology and Astrophysics, Department of Physics, University of Wisconsin Milwaukee, 1900 East Kenwood Boulevard, Milwaukee, WI 53211 (United States); Kennicutt, Robert, E-mail: kmcquinn@astro.as.utexas.edu [Institute for Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom)
2016-07-20
Great investments of observing time have been dedicated to the study of nearby spiral galaxies with diverse goals ranging from understanding the star formation process to characterizing their dark matter distributions. Accurate distances are fundamental to interpreting observations of these galaxies, yet many of the best studied nearby galaxies have distances based on methods with relatively large uncertainties. We have started a program to derive accurate distances to these galaxies. Here we measure the distance to M51—the Whirlpool galaxy—from newly obtained Hubble Space Telescope optical imaging using the tip of the red giant branch method. We measure the distance modulus to be 8.58 ± 0.10 Mpc (statistical), corresponding to a distance modulus of 29.67 ± 0.02 mag. Our distance is an improvement over previous results as we use a well-calibrated, stable distance indicator, precision photometry in a optimally selected field of view, and a Bayesian Maximum Likelihood technique that reduces measurement uncertainties.
McQuinn, Kristen. B. W.; Skillman, Evan D.; Dolphin, Andrew E.; Berg, Danielle; Kennicutt, Robert
2016-07-01
Great investments of observing time have been dedicated to the study of nearby spiral galaxies with diverse goals ranging from understanding the star formation process to characterizing their dark matter distributions. Accurate distances are fundamental to interpreting observations of these galaxies, yet many of the best studied nearby galaxies have distances based on methods with relatively large uncertainties. We have started a program to derive accurate distances to these galaxies. Here we measure the distance to M51—the Whirlpool galaxy—from newly obtained Hubble Space Telescope optical imaging using the tip of the red giant branch method. We measure the distance modulus to be 8.58 ± 0.10 Mpc (statistical), corresponding to a distance modulus of 29.67 ± 0.02 mag. Our distance is an improvement over previous results as we use a well-calibrated, stable distance indicator, precision photometry in a optimally selected field of view, and a Bayesian Maximum Likelihood technique that reduces measurement uncertainties. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the Data Archive at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.
Social Distance and Intergenerational Relations
Kidwell, I. Jane; Booth, Alan
1977-01-01
Questionnaires were administered to a sample of adults to assess the extent of social distance between people of different ages. The findings suggest that the greater the age difference (younger or older) between people, the greater the social distance they feel. (Author)
Quality Content in Distance Education
Yildiz, Ezgi Pelin; Isman, Aytekin
2016-01-01
In parallel with technological advances in today's world of education activities can be conducted without the constraints of time and space. One of the most important of these activities is distance education. The success of the distance education is possible with content quality. The proliferation of e-learning environment has brought a need for…
Virtual Bioinformatics Distance Learning Suite
Tolvanen, Martti; Vihinen, Mauno
2004-01-01
Distance learning as a computer-aided concept allows students to take courses from anywhere at any time. In bioinformatics, computers are needed to collect, store, process, and analyze massive amounts of biological and biomedical data. We have applied the concept of distance learning in virtual bioinformatics to provide university course material…
The Psychology of Psychic Distance
DEFF Research Database (Denmark)
Håkanson, Lars; Ambos, Björn; Schuster, Anja
2016-01-01
and their theoretical underpinnings assume psychic distances to be symmetric. Building on insights from psychology and sociology, this paper demonstrates how national factors and cognitive processes interact in the formation of asymmetric distance perceptions. The results suggest that exposure to other countries...
Cognitive Styles and Distance Education.
Liu, Yuliang; Ginther, Dean
1999-01-01
Considers how to adapt the design of distance education to students' cognitive styles. Discusses cognitive styles, including field dependence versus independence, holistic-analytic, sensory preference, hemispheric preferences, and Kolb's Learning Style Model; and the characteristics of distance education, including technology. (Contains 92…
Distance Learning: Practice and Dilemmas
Tatkovic, Nevenka; Sehanovic, Jusuf; Ruzic, Maja
2006-01-01
In accordance with the European processes of integrated and homogeneous education, the paper presents the essential viewpoints and questions covering the establishment and development of "distance learning" (DL) in Republic of Croatia. It starts from the advantages of distance learning versus traditional education taking into account…
Hierarchical traits distances explain grassland Fabaceae species' ecological niches distances
Fort, Florian; Jouany, Claire; Cruz, Pablo
2015-01-01
Fabaceae species play a key role in ecosystem functioning through their capacity to fix atmospheric nitrogen via their symbiosis with Rhizobium bacteria. To increase benefits of using Fabaceae in agricultural systems, it is necessary to find ways to evaluate species or genotypes having potential adaptations to sub-optimal growth conditions. We evaluated the relevance of phylogenetic distance, absolute trait distance and hierarchical trait distance for comparing the adaptation of 13 grassland Fabaceae species to different habitats, i.e., ecological niches. We measured a wide range of functional traits (root traits, leaf traits, and whole plant traits) in these species. Species phylogenetic and ecological distances were assessed from a species-level phylogenetic tree and species' ecological indicator values, respectively. We demonstrated that differences in ecological niches between grassland Fabaceae species were related more to their hierarchical trait distances than to their phylogenetic distances. We showed that grassland Fabaceae functional traits tend to converge among species with the same ecological requirements. Species with acquisitive root strategies (thin roots, shallow root systems) are competitive species adapted to non-stressful meadows, while conservative ones (coarse roots, deep root systems) are able to tolerate stressful continental climates. In contrast, acquisitive species appeared to be able to tolerate low soil-P availability, while conservative ones need high P availability. Finally we highlight that traits converge along the ecological gradient, providing the assumption that species with similar root-trait values are better able to coexist, regardless of their phylogenetic distance. PMID:25741353
Hierarchical traits distances explain grassland Fabaceae species’ ecological niches distances
Directory of Open Access Journals (Sweden)
Florian eFort
2015-02-01
Full Text Available Fabaceae species play a key role in ecosystem functioning through their capacity to fix atmospheric nitrogen via their symbiosis with Rhizobium bacteria. To increase benefits of using Fabaceae in agricultural systems, it is necessary to find ways to evaluate species or genotypes having potential adaptations to sub-optimal growth conditions. We evaluated the relevance of phylogenetic distance, absolute trait distance and hierarchical trait distance for comparing the adaptation of 13 grassland Fabaceae species to different habitats, i.e. ecological niches. We measured a wide range of functional traits (root traits, leaf traits and whole plant traits in these species. Species phylogenetic and ecological distances were assessed from a species-level phylogenetic tree and species’ ecological indicator values, respectively. We demonstrated that differences in ecological niches between grassland Fabaceae species were related more to their hierarchical trait distances than to their phylogenetic distances. We showed that grassland Fabaceae functional traits tend to converge among species with the same ecological requirements. Species with acquisitive root strategies (thin roots, shallow root systems are competitive species adapted to non-stressful meadows, while conservative ones (coarse roots, deep root systems are able to tolerate stressful continental climates. In contrast, acquisitive species appeared to be able to tolerate low soil-P availability, while conservative ones need high P availability. Finally we highlight that traits converge along the ecological gradient, providing the assumption that species with similar root-trait values are better able to coexist, regardless of their phylogenetic distance.
Fatigue aging of adhesive bonds
International Nuclear Information System (INIS)
DeLollis, N.J.
1979-01-01
A year long study has been made of the effect of fatigue on the bond between two epoxy encapsulant formulations and a fused alumina disc. The variables studied included isothermal aging at temperatures up to and including the cure temperature and cyclic thermal aging from +74 to -54 0 C. The encapsulants were glass microballoon filled epoxies differing only in curing agents. One was cured with an aromatic amine eutectic (Shell Curing Agent Z). The other was cured with diethanolamine. The Z cured encapsulant bond failed completely at the bond interface with little or no aging; infrared evidence indicated a soluble interlayer as a possible cause of failure. The diethanolamine cured encapsulant survived a year of isothermal aging with little or no evidence of bond degradation. Cyclic thermal aging resulted in gradual bond failure with time. An extrapolation of the cyclic aging data indicates that the stresses induced by thermal cycling would result in complete bond failure in about 1200 days
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. What is a hydrogen bond? Precise definition of a hydrogen bond is still elusive!1. Several criteria are listed usually for X-H•••Y, X and Y initially thought to be F, O and N only1. Structural: The X-Y bond length is less than the sum of their van der Waals radii. X-H•••Y is ...
Composite interlayer for diffusion bonding
International Nuclear Information System (INIS)
1976-01-01
A ductile interlayer is described, which is useful for transient liquid phase diffusion bonding of metallic articles; the interlayer consisting of a melting point depressant and a plurality of ductile lamellae which are free from carbides, aluminides and borides. The composition and fabrication of the lamellae, and the process for bonding the metallic articles, depend on the composition of the metals to be bonded, and are exemplified in the specification. (U.K.)
Dissipation and the relaxation to equilibrium
International Nuclear Information System (INIS)
Evans, Denis J; Williams, Stephen R; Searles, Debra J
2009-01-01
Using the recently derived dissipation theorem and a corollary of the transient fluctuation theorem (TFT), namely the second-law inequality, we derive the unique time independent, equilibrium phase space distribution function for an ergodic Hamiltonian system in contact with a remote heat bath. We prove under very general conditions that any deviation from this equilibrium distribution breaks the time independence of the distribution. Provided temporal correlations decay, we show that any nonequilibrium distribution that is an even function of the momenta eventually relaxes (not necessarily monotonically) to the equilibrium distribution. Finally we prove that the negative logarithm of the microscopic partition function is equal to the thermodynamic Helmholtz free energy divided by the thermodynamic temperature and Boltzmann's constant. Our results complement and extend the findings of modern ergodic theory and show the importance of dissipation in the process of relaxation towards equilibrium
Computation of Phase Equilibrium and Phase Envelopes
DEFF Research Database (Denmark)
Ritschel, Tobias Kasper Skovborg; Jørgensen, John Bagterp
formulate the involved equations in terms of the fugacity coefficients. We present expressions for the first-order derivatives. Such derivatives are necessary in computationally efficient gradient-based methods for solving the vapor-liquid equilibrium equations and for computing phase envelopes. Finally, we......In this technical report, we describe the computation of phase equilibrium and phase envelopes based on expressions for the fugacity coefficients. We derive those expressions from the residual Gibbs energy. We consider 1) ideal gases and liquids modeled with correlations from the DIPPR database...... and 2) nonideal gases and liquids modeled with cubic equations of state. Next, we derive the equilibrium conditions for an isothermal-isobaric (constant temperature, constant pressure) vapor-liquid equilibrium process (PT flash), and we present a method for the computation of phase envelopes. We...
Intermittent many-body dynamics at equilibrium
Danieli, C.; Campbell, D. K.; Flach, S.
2017-06-01
The equilibrium value of an observable defines a manifold in the phase space of an ergodic and equipartitioned many-body system. A typical trajectory pierces that manifold infinitely often as time goes to infinity. We use these piercings to measure both the relaxation time of the lowest frequency eigenmode of the Fermi-Pasta-Ulam chain, as well as the fluctuations of the subsequent dynamics in equilibrium. The dynamics in equilibrium is characterized by a power-law distribution of excursion times far off equilibrium, with diverging variance. Long excursions arise from sticky dynamics close to q -breathers localized in normal mode space. Measuring the exponent allows one to predict the transition into nonergodic dynamics. We generalize our method to Klein-Gordon lattices where the sticky dynamics is due to discrete breathers localized in real space.
Moisture transport and equilibrium in organic coatings
Wel, van der G.K.; Adan, O.C.G.
2000-01-01
Improving coating performance in regard of protection of substrates and structures against moisturerelated degradation requires detailed knowledge of underlying transport mechanisms. In this paper a review is given on transport and equilibrium sorption of moisture in polymer films and organic
Non-equilibrium entropy in excited nuclei
International Nuclear Information System (INIS)
Betak, E.
1991-06-01
The time-dependent behaviour of entropy in excited nuclei is investigated. In distinction to recent claims, it is shown that no self-organization is involved in pre-equilibrium nuclear reactions. (author). 9 refs.; 4 figs
Plasma equilibrium and instabilities in tokamaks
International Nuclear Information System (INIS)
Caldas, I.L.; Vannucci, A.
1985-01-01
A phenomenological introduction of some of the main theoretical and experimental features on equilibrium and instabilities in tokamaks is presented. In general only macroscopic effects are considered, being the plasma described as a fluid. (L.C.) [pt
"Secrets" of High Pressure Phase Equilibrium Experiment.
Czech Academy of Sciences Publication Activity Database
Wichterle, Ivan
2005-01-01
Roč. 54, č. 11 (2005), s. 477-479 ISSN 0022-9830 Institutional research plan: CEZ:AV0Z40720504 Keywords : vapour-liquid equilibrium * experimental work Subject RIV: CF - Physical ; Theoretical Chemistry
Averaged description of 3D MHD equilibrium
International Nuclear Information System (INIS)
Medvedev, S.Yu.; Drozdov, V.V.; Ivanov, A.A.; Martynov, A.A.; Pashekhonov, Yu.Yu.; Mikhailov, M.I.
2001-01-01
A general approach by S.A.Galkin et al. in 1991 to 2D description of MHD equilibrium and stability in 3D systems was proposed. The method requires a background 3D equilibrium with nested flux surfaces to generate the metric of a Riemannian space in which the background equilibrium is described by the 2D equation of Grad-Shafranov type. The equation can be solved then varying plasma profiles and shape to get approximate 3D equilibria. In the framework of the method both planar axis conventional stellarators and configurations with spatial magnetic axis can be studied. In the present report the formulation and numerical realization of the equilibrium problem for stellarators with planar axis is reviewed. The input background equilibria with nested flux surfaces are taken from vacuum magnetic field approximately described by analytic scalar potential
Equilibrium-torus bifurcation in nonsmooth systems
DEFF Research Database (Denmark)
Zhusubahyev, Z.T.; Mosekilde, Erik
2008-01-01
Considering a set of two coupled nonautonomous differential equations with discontinuous right-hand sides describing the behavior of a DC/DC power converter, we discuss a border-collision bifurcation that can lead to the birth of a two-dimensional invariant torus from a stable node equilibrium...... point. We obtain the chart of dynamic modes and show that there is a region of parameter space in which the system has a single stable node equilibrium point. Under variation of the parameters, this equilibrium may disappear as it collides with a discontinuity boundary between two smooth regions...... in the phase space. The disappearance of the equilibrium point is accompanied by the soft appearance of an unstable focus period-1 orbit surrounded by a resonant or ergodic torus. Detailed numerical calculations are supported by a theoretical investigation of the normal form map that represents the piecewise...
Stochastic approach to equilibrium and nonequilibrium thermodynamics.
Tomé, Tânia; de Oliveira, Mário J
2015-04-01
We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.
Finite-size polyelectrolyte bundles at thermodynamic equilibrium
Sayar, M.; Holm, C.
2007-01-01
We present the results of extensive computer simulations performed on solutions of monodisperse charged rod-like polyelectrolytes in the presence of trivalent counterions. To overcome energy barriers we used a combination of parallel tempering and hybrid Monte Carlo techniques. Our results show that for small values of the electrostatic interaction the solution mostly consists of dispersed single rods. The potential of mean force between the polyelectrolyte monomers yields an attractive interaction at short distances. For a range of larger values of the Bjerrum length, we find finite-size polyelectrolyte bundles at thermodynamic equilibrium. Further increase of the Bjerrum length eventually leads to phase separation and precipitation. We discuss the origin of the observed thermodynamic stability of the finite-size aggregates.
Equilibrium helium film in the thick film limit
International Nuclear Information System (INIS)
Klier, J.; Schletterer, F.; Leiderer, P.; Shikin, V.
2003-01-01
For the thickness of a liquid or solid quantum film, like liquid helium or solid hydrogen, there exist still open questions about how the film thickness develops in certain limits. One of these is the thick film limit, i.e., the crossover from the thick film to bulk. We have performed measurements in this range using the surface plasmon resonance technique and an evaporated Ag film deposited on glass as substrate. The thickness of the adsorbed helium film is varied by changing the distance h of the bulk reservoir to the surface of the substrate. In the limiting case, when h > 0, the film thickness approaches about 100 nm following the van der Waals law in the retarded regime. The film thickness and its dependence on h is precisely determined and theoretically modeled. The equilibrium film thickness behaviour is discussed in detail. The agreement between theory and experiment is very good
Wafer bonding applications and technology
Gösele, Ulrich
2004-01-01
During the past decade direct wafer bonding has developed into a mature materials integration technology. This book presents state-of-the-art reviews of the most important applications of wafer bonding written by experts from industry and academia. The topics include bonding-based fabrication methods of silicon-on-insulator, photonic crystals, VCSELs, SiGe-based FETs, MEMS together with hybrid integration and laser lift-off. The non-specialist will learn about the basics of wafer bonding and its various application areas, while the researcher in the field will find up-to-date information about this fast-moving area, including relevant patent information.
A simplified indirect bonding technique
Directory of Open Access Journals (Sweden)
Radha Katiyar
2014-01-01
Full Text Available With the advent of lingual orthodontics, indirect bonding technique has become an integral part of practice. It involves placement of brackets initially on the models and then their transfer to teeth with the help of transfer trays. Problems encountered with current indirect bonding techniques used are (1 the possibility of adhesive flash remaining around the base of the brackets which requires removal (2 longer time required for the adhesive to gain enough bond strength for secure tray removal. The new simplified indirect bonding technique presented here overcomes both these problems.
DEFF Research Database (Denmark)
Prasad, Ramjee
2016-01-01
Modern dexterous communication technology is progressively enabling humans to communicate their information through them with speech (aural) and media (optical) as underpinning essence. Humans realize this kind of aural and optical information by their optical and auditory senses. However, due...... to certain constraints, the ability to incorporate the other three sensory features namely, olfactory, gustatory, and tactile are still far from reality. Human bond communication is a novel concept that incorporates olfactory, gustatory, and tactile that will allow more expressive and holistic sensory...... information exchange through communication techniques for more human sentiment centric communication. This concept endorses the need of inclusion of other three senses and proposes an innovative approach of holistic communication for future communication network....
The Theory of Variances in Equilibrium Reconstruction
International Nuclear Information System (INIS)
Zakharov, Leonid E.; Lewandowski, Jerome; Foley, Elizabeth L.; Levinton, Fred M.; Yuh, Howard Y.; Drozdov, Vladimir; McDonald, Darren
2008-01-01
The theory of variances of equilibrium reconstruction is presented. It complements existing practices with information regarding what kind of plasma profiles can be reconstructed, how accurately, and what remains beyond the abilities of diagnostic systems. The σ-curves, introduced by the present theory, give a quantitative assessment of quality of effectiveness of diagnostic systems in constraining equilibrium reconstructions. The theory also suggests a method for aligning the accuracy of measurements of different physical nature
Quasi-equilibrium interpretation of aging dynamics
International Nuclear Information System (INIS)
Franz, S.; Virasoro, M.A.
2000-04-01
We develop an interpretation of the off-equilibrium dynamical solution of mean-field glassy models in terms of quasi-equilibrium concepts. We show that the relaxation of the 'thermoremanent magnetization' follows a generalized version of the Onsager regression postulate of induced fluctuations. We then find the rationale for the equality between the fluctuation-dissipation ratio and the rate of growth of the configurational entropy close to the asymptotic state, found empirically in mean-field solutions. (author)
Equivalence of Equilibrium Propagation and Recurrent Backpropagation
Scellier, Benjamin; Bengio, Yoshua
2017-01-01
Recurrent Backpropagation and Equilibrium Propagation are algorithms for fixed point recurrent neural networks which differ in their second phase. In the first phase, both algorithms converge to a fixed point which corresponds to the configuration where the prediction is made. In the second phase, Recurrent Backpropagation computes error derivatives whereas Equilibrium Propagation relaxes to another nearby fixed point. In this work we establish a close connection between these two algorithms....
Non-equilibrium dog-flea model
Ackerson, Bruce J.
2017-11-01
We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.
Internal equilibrium layer growth over forest
DEFF Research Database (Denmark)
Dellwik, E.; Jensen, N.O.
2000-01-01
the magnitude of the scatter. Different theoretical friction velocity profiles for the Internal Boundary Layer (IBL) are tested against the forest data. The results yield information on the Internal Equilibrium Layer (IEL) growth and an equation for the IEL height fur neutral conditions is derived. For stable...... conditions the results indicate that very long fetches are required in order to measure parameters in equilibrium with the actual surface....
Equilibrium fluctuation energy of gyrokinetic plasma
International Nuclear Information System (INIS)
Krommes, J.A.; Lee, W.W.; Oberman, C.
1985-11-01
The thermal equilibrium electric field fluctuation energy of the gyrokinetic model of magnetized plasma is computed, and found to be smaller than the well-known result (k)/8π = 1/2T/[1 + (klambda/sub D/) 2 ] valid for arbitrarily magnetized plasmas. It is shown that, in a certain sense, the equilibrium electric field energy is minimum in the gyrokinetic regime. 13 refs., 2 figs
Support of the extremal measure in a vector equilibrium problem
International Nuclear Information System (INIS)
Lapik, M A
2006-01-01
A generalization of the Mhaskar-Saff functional is obtained for a vector equilibrium problem with an external field. As an application, the supports of the equilibrium measures are found in a special vector equilibrium problem with Nikishin matrix.
Tracking frequency laser distance gauge
International Nuclear Information System (INIS)
Phillips, J.D.; Reasenberg, R.D.
2005-01-01
Advanced astronomical missions with greatly enhanced resolution and physics missions of unprecedented accuracy will require laser distance gauges of substantially improved performance. We describe a laser gauge, based on Pound-Drever-Hall locking, in which the optical frequency is adjusted to maintain an interferometer's null condition. This technique has been demonstrated with pm performance. Automatic fringe hopping allows it to track arbitrary distance changes. The instrument is intrinsically free of the nm-scale cyclic bias present in traditional (heterodyne) high-precision laser gauges. The output is a radio frequency, readily measured to sufficient accuracy. The laser gauge has operated in a resonant cavity, which improves precision, can suppress the effects of misalignments, and makes possible precise automatic alignment. The measurement of absolute distance requires little or no additional hardware, and has also been demonstrated. The proof-of-concept version, based on a stabilized HeNe laser and operating on a 0.5 m path, has achieved 10 pm precision with 0.1 s integration time, and 0.1 mm absolute distance accuracy. This version has also followed substantial distance changes as fast as 16 mm/s. We show that, if the precision in optical frequency is a fixed fraction of the linewidth, both incremental and absolute distance precision are independent of the distance measured. We discuss systematic error sources, and present plans for a new version of the gauge based on semiconductor lasers and fiber-coupled components
Equilibrium and nonequilibrium dynamics of soft sphere fluids.
Ding, Yajun; Mittal, Jeetain
2015-07-14
We use computer simulations to test the freezing-point scaling relationship between equilibrium transport coefficients (self-diffusivity, viscosity) and thermodynamic parameters for soft sphere fluids. The fluid particles interact via the inverse-power potential (IPP), and the particle softness is changed by modifying the exponent of the distance-dependent potential term. In the case of IPP fluids, density and temperature are not independent variables and can be combined to obtain a coupling parameter to define the thermodynamic state of the system. We find that the rescaled coupling parameter, based on its value at the freezing point, can approximately collapse the diffusivity and viscosity data for IPP fluids over a wide range of particle softness. Even though the collapse is far from perfect, the freezing-point scaling relationship provides a convenient and effective way to compare the structure and dynamics of fluid systems with different particle softness. We further show that an alternate scaling relationship based on two-body excess entropy can provide an almost perfect collapse of the diffusivity and viscosity data below the freezing transition. Next, we perform nonequilibrium molecular dynamics simulations to calculate the shear-dependent viscosity and to identify the distinct role of particle softness in underlying structural changes associated with rheological properties. Qualitatively, we find a similar shear-thinning behavior for IPP fluids with different particle softness, though softer particles exhibit stronger shear-thinning tendency. By investigating the distance and angle-dependent pair correlation functions in these systems, we find different structural features in the case of IPP fluids with hard-sphere like and softer particle interactions. Interestingly, shear-thinning in hard-sphere like fluids is accompanied by enhanced translational order, whereas softer fluids exhibit loss of order with shear. Our results provide a systematic evaluation
Non-equilibrium turbulence scalings in turbulent planar jets
Cafiero, Gioacchino; Vassilicos, John Christos; Turbulence, Mixing; Flow Control Group Team
2017-11-01
A revised version of the Townsend George theory, as proposed by Dairay et al. 2015, is applied to the study of turbulent planar jets (Cafiero and Vassilicos 2017). Requiring the self-similarity of only few quantities along with the non-equilibrium dissipation scaling law (Vassilicos 2015), it implies new mean flow and jet width scalings. In particular, the ratio of characteristic cross-stream to centreline streamwise velocities decays as the -1/3 power of streamwise distance in the region where the non-equilibrium dissipation scaling holds. In the definition of Cɛ both in Dairay et al. 2015 and in Cafiero and Vassilicos 2017 the local Reynolds number is based on the local flow width rather than on the integral lengthscale. We verify that the ratio of the integral lengthscale to the flow width is constant, thus enabling the use of the integral flow width in place of the integral lengthscale for defining Cɛ. The importance of this result is twofold: firstly it further strengthens the scalings obtained in the works of Dairay et al. 2015 and Cafiero and Vassilicos 2017; secondly the flow width is immediately accessible by any mean flow measurement, whereas the estimation of the integral lengthscale often requires an additional hypothesis. ERC Advanced Grant 320560.
Determination of the secondary electron equilibrium using an extrapolation chamber
International Nuclear Information System (INIS)
Marshall, E.T.; Vaziri, K.; Krueger, F.P.; Cossairt, J.D.
1996-09-01
To ensure that the external personnel dosimetry program conducted by U. S. Department of Energy (DOE) contractors is of the highest quality, the DOE established the Department of Energy Laboratory Accreditation Program or DOELAP. The contractor's dosimetry program is assessed against the criteria set forth for dosimeter performance and the associated quality assurance and calibration programs. Although personnel dosimeters are not processed or calibrated by Fermilab, a proactive quality assurance program is in place to ensure accurate monitoring. This program includes quarterly blind testing of the dosimeters used by personnel. During the on-site assessment conducted of Fermilab's external dosimetry program during May 1994, an observation with regard to equipment maintenance and calibration was made: ''calibration personnel should probably review the electron secondary equilibrium needs at various irradiation distances from the 137 Cs irradiation systems'' The majority of the secondary electrons are generated through interactions of the beam with the collimator. Secondary electrons increase the low energy component of the radiation field, increasing the shallow doses measured. For dosimetric purposes, this increase needs to be defined so appropriate corrections to calculations or modifications to the facility can be made. Prompted by this observation, a study was designed to investigate the electron secondary equilibrium in the facility used for the blind testing by determining the dose equivalent as a function of depth in a tissue-equivalent medium. This presentation summarizes the methodology utilized and results of the investigation
Stable hydrostatic equilibrium configurations of the galaxy and implications for its halo
International Nuclear Information System (INIS)
Bloemen, J.B.G.M.
1987-01-01
Using a variety of observations, it is shown that the gaseous, magnetic field, and cosmic-ray components in the local region of the Galaxy may be in a large-scale hydrostatic equilibrium that is stable against Parker-type instabilities. Lower limits for the density of the halo are derived as a function of its scale height. The temperature of the hot medium in the disk and at large distances from the plane is found to be typically about a million K in a stable equilibrium, whereas around z roughly 1-3 kpc the temperature could be only 200,000-300,000 K. The scale height of the sum of cosmic-ray and magnetic field pressures in a stable hydrostatic equilibrium state is found to be only weakly dependent on the scale height of the gaseous halo. 109 references
Reducing the distance in distance-caregiving by technology innovation
Directory of Open Access Journals (Sweden)
Lazelle E Benefield
2007-07-01
Full Text Available Lazelle E Benefield1, Cornelia Beck21College of Nursing, University of Oklahoma Health Sciences Center, Oklahoma City, Oklahoma, USA; 2Pat & Willard Walker Family Memory Research Center, University of Arkansas for Medical Sciences, Little Rock, Arkansas, USAAbstract: Family caregivers are responsible for the home care of over 34 million older adults in the United States. For many, the elder family member lives more than an hour’s distance away. Distance caregiving is a growing alternative to more familiar models where: 1 the elder and the family caregiver(s may reside in the same household; or 2 the family caregiver may live nearby but not in the same household as the elder. The distance caregiving model involves elders and their family caregivers who live at some distance, defined as more than a 60-minute commute, from one another. Evidence suggests that distance caregiving is a distinct phenomenon, differs substantially from on-site family caregiving, and requires additional assistance to support the physical, social, and contextual dimensions of the caregiving process. Technology-based assists could virtually connect the caregiver and elder and provide strong support that addresses the elder’s physical, social, cognitive, and/or sensory impairments. Therefore, in today’s era of high technology, it is surprising that so few affordable innovations are being marketed for distance caregiving. This article addresses distance caregiving, proposes the use of technology innovation to support caregiving, and suggests a research agenda to better inform policy decisions related to the unique needs of this situation.Keywords: caregiving, family, distance, technology, elders
Equivalence of massive propagator distance and mathematical distance on graphs
International Nuclear Information System (INIS)
Filk, T.
1992-01-01
It is shown in this paper that the assignment of distance according to the massive propagator method and according to the mathematical definition (length of minimal path) on arbitrary graphs with a bound on the degree leads to equivalent large scale properties of the graph. Especially, the internal scaling dimension is the same for both definitions. This result holds for any fixed, non-vanishing mass, so that a really inequivalent definition of distance requires the limit m → 0
30 CFR 281.33 - Bonds and bonding requirements.
2010-07-01
... 30 Mineral Resources 2 2010-07-01 2010-07-01 false Bonds and bonding requirements. 281.33 Section 281.33 Mineral Resources MINERALS MANAGEMENT SERVICE, DEPARTMENT OF THE INTERIOR OFFSHORE LEASING OF MINERALS OTHER THAN OIL, GAS, AND SULPHUR IN THE OUTER CONTINENTAL SHELF Financial Considerations § 281.33...
29 CFR 2580.412-19 - Term of the bond, discovery period, other bond clauses.
2010-07-01
... SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580.412-19 Term of the bond, discovery... 29 Labor 9 2010-07-01 2010-07-01 false Term of the bond, discovery period, other bond clauses... new bond must be obtained each year. There is nothing in the Act that prohibits a bond for a term...
Language distance and tree reconstruction
International Nuclear Information System (INIS)
Petroni, Filippo; Serva, Maurizio
2008-01-01
Languages evolve over time according to a process in which reproduction, mutation and extinction are all possible. This is very similar to haploid evolution for asexual organisms and for the mitochondrial DNA of complex ones. Exploiting this similarity, it is possible, in principle, to verify hypotheses concerning the relationship among languages and to reconstruct their family tree. The key point is the definition of the distances among pairs of languages in analogy with the genetic distances among pairs of organisms. Distances can be evaluated by comparing grammar and/or vocabulary, but while it is difficult, if not impossible, to quantify grammar distance, it is possible to measure a distance from vocabulary differences. The method used by glottochronology computes distances from the percentage of shared 'cognates', which are words with a common historical origin. The weak point of this method is that subjective judgment plays a significant role. Here we define the distance of two languages by considering a renormalized edit distance among words with the same meaning and averaging over the two hundred words contained in a Swadesh list. In our approach the vocabulary of a language is the analogue of DNA for organisms. The advantage is that we avoid subjectivity and, furthermore, reproducibility of results is guaranteed. We apply our method to the Indo-European and the Austronesian groups, considering, in both cases, fifty different languages. The two trees obtained are, in many respects, similar to those found by glottochronologists, with some important differences as regards the positions of a few languages. In order to support these different results we separately analyze the structure of the distances of these languages with respect to all the others
Language distance and tree reconstruction
Petroni, Filippo; Serva, Maurizio
2008-08-01
Languages evolve over time according to a process in which reproduction, mutation and extinction are all possible. This is very similar to haploid evolution for asexual organisms and for the mitochondrial DNA of complex ones. Exploiting this similarity, it is possible, in principle, to verify hypotheses concerning the relationship among languages and to reconstruct their family tree. The key point is the definition of the distances among pairs of languages in analogy with the genetic distances among pairs of organisms. Distances can be evaluated by comparing grammar and/or vocabulary, but while it is difficult, if not impossible, to quantify grammar distance, it is possible to measure a distance from vocabulary differences. The method used by glottochronology computes distances from the percentage of shared 'cognates', which are words with a common historical origin. The weak point of this method is that subjective judgment plays a significant role. Here we define the distance of two languages by considering a renormalized edit distance among words with the same meaning and averaging over the two hundred words contained in a Swadesh list. In our approach the vocabulary of a language is the analogue of DNA for organisms. The advantage is that we avoid subjectivity and, furthermore, reproducibility of results is guaranteed. We apply our method to the Indo-European and the Austronesian groups, considering, in both cases, fifty different languages. The two trees obtained are, in many respects, similar to those found by glottochronologists, with some important differences as regards the positions of a few languages. In order to support these different results we separately analyze the structure of the distances of these languages with respect to all the others.
Bonding topologies in diamondlike amorphous-carbon films
International Nuclear Information System (INIS)
Siegal, M. P.; Provencio, P. N.; Tallant, D. R.; Simpson, R. L.; Kleinsorge, B.; Milne, W. I.
2000-01-01
The carbon ion energy used during filtered cathodic vacuum arc deposition determines the bonding topologies of amorphous-carbon (a-C) films. Regions of relatively low density occur near the substrate/film and film/surface interfaces; their thicknesses increase with deposition energy. The ion subplantation growth results in mass density gradients in the bulk portion of a-C in the growth direction; density decreases with distance from the substrate for films grown using ion energies 160 eV. Films grown between these energies are the most diamondlike with relatively uniform bulk density and the highest optical transparencies. Bonding topologies evolve with increasing growth energy consistent with the propagation of subplanted carbon ions inducing a partial transformation of σ- to π-bonded carbon atoms. (c) 2000 American Institute of Physics
Bonding topologies in diamondlike amorphous-carbon films
Energy Technology Data Exchange (ETDEWEB)
Siegal, M. P. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Provencio, P. N. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Tallant, D. R. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Simpson, R. L. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Kleinsorge, B. [Department of Engineering, Cambridge University, Cambridge CB2 1PZ, (United Kingdom); Milne, W. I. [Department of Engineering, Cambridge University, Cambridge CB2 1PZ, (United Kingdom)
2000-04-10
The carbon ion energy used during filtered cathodic vacuum arc deposition determines the bonding topologies of amorphous-carbon (a-C) films. Regions of relatively low density occur near the substrate/film and film/surface interfaces; their thicknesses increase with deposition energy. The ion subplantation growth results in mass density gradients in the bulk portion of a-C in the growth direction; density decreases with distance from the substrate for films grown using ion energies <60 eV and increases for films grown using ion energies >160 eV. Films grown between these energies are the most diamondlike with relatively uniform bulk density and the highest optical transparencies. Bonding topologies evolve with increasing growth energy consistent with the propagation of subplanted carbon ions inducing a partial transformation of {sigma}- to {pi}-bonded carbon atoms. (c) 2000 American Institute of Physics.
Khanh, Phan Quoc; Plubtieng, Somyot; Sombut, Kamonrat
2014-01-01
The purpose of this paper is introduce several types of Levitin-Polyak well-posedness for bilevel vector equilibrium and optimization problems with equilibrium constraints. Base on criterion and characterizations for these types of Levitin-Polyak well-posedness we argue on diameters and Kuratowski’s, Hausdorff’s, or Istrǎtescus measures of noncompactness of approximate solution sets under suitable conditions, and we prove the Levitin-Polyak well-posedness for bilevel vector equilibrium and op...
Ageing in the trap model as a relaxation further away from equilibrium
International Nuclear Information System (INIS)
Bertin, Eric
2013-01-01
The ageing regime of the trap model, observed for a temperature T below the glass transition temperature T g , is a prototypical example of non-stationary out-of-equilibrium state. We characterize this state by evaluating its ‘distance to equilibrium’, defined as the Shannon entropy difference ΔS (in absolute value) between the non-equilibrium state and the equilibrium state with the same energy. We consider the time evolution of ΔS and show that, rather unexpectedly, ΔS(t) continuously increases in the ageing regime, if the number of traps is infinite, meaning that the ‘distance to equilibrium’ increases instead of decreasing in the relaxation process. For a finite number N of traps, ΔS(t) exhibits a maximum value before eventually converging to zero when equilibrium is reached. The time t* at which the maximum is reached however scales in a non-standard way as t * ∼N T g /2T , while the equilibration time scales as τ eq ∼N T g /T . In addition, the curves ΔS(t) for different N are found to rescale as ln t/ln t*, instead of the more familiar scaling t/t*. (paper)
Academy Distance Learning Tools (IRIS) -
Department of Transportation — IRIS is a suite of front-end web applications utilizing a centralized back-end Oracle database. The system fully supports the FAA Academy's Distance Learning Program...
Distance labeling schemes for trees
DEFF Research Database (Denmark)
Alstrup, Stephen; Gørtz, Inge Li; Bistrup Halvorsen, Esben
2016-01-01
We consider distance labeling schemes for trees: given a tree with n nodes, label the nodes with binary strings such that, given the labels of any two nodes, one can determine, by looking only at the labels, the distance in the tree between the two nodes. A lower bound by Gavoille et al. [Gavoille...... variants such as, for example, small distances in trees [Alstrup et al., SODA, 2003]. We improve the known upper and lower bounds of exact distance labeling by showing that 1/4 log2(n) bits are needed and that 1/2 log2(n) bits are sufficient. We also give (1 + ε)-stretch labeling schemes using Theta...
Distance Education in Technological Age
Directory of Open Access Journals (Sweden)
R .C. SHARMA
2005-04-01
Full Text Available Distance Education in Technological AgeRomesh Verma (Editor, New Delhi: Anmol Publications, 2005, ISBN 81-261-2210-2, pp. 419 Reviewed by R C SHARMARegional DirectorIndira Gandhi National Open University-INDIA The advancements in information and communication technologies have brought significant changes in the way the open and distance learning are provided to the learners. The impact of such changes is quite visible in both developed and developing countries. Switching over to online mode, joining hands with private initiatives and making a presence in foreign waters, are some of the hallmarks of the open and distance education (ODE institutions in developing countries. The compilation of twenty six essays on themes as applicable to ODE has resulted in the book, Distance Education in Technological Age. These essays follow a progressive style of narration, starting from describing conceptual framework of distance education, how the distance education was emerged on the global scene and in India, and then goes on to discuss emergence of online distance education and research aspects in ODE. The initial four chapters provide a detailed account of historical development and growth of distance education in India and State Open University and National Open University Model in India . Student support services are pivot to any distance education and much of its success depends on how well the support services are provided. These are discussed from national and international perspective. The issues of collaborative learning, learning on demand, life long learning, learning-unlearning and re-learning model and strategic alliances have also given due space by the authors. An assortment of technologies like communication technology, domestic technology, information technology, mass media and entertainment technology, media technology and educational technology give an idea of how these technologies are being adopted in the open universities. The study
Indian Academy of Sciences (India)
An overview of general classification scheme, medicinal importance and crystal structure analysis with emphasis on the role of hydrogen bonding in some alkaloids is presented in this paper. The article is based on a general kind of survey while crystallographic analysis and role of hydrogen bonding are limited to only ...
Optimal Investment in Structured Bonds
DEFF Research Database (Denmark)
Jessen, Pernille; Jørgensen, Peter Løchte
2012-01-01
of the article is to provide possible explanations for the puzzle of why small retail investors hold structured bonds. The investment universe consists of a stock index, a risk-free bank account, and a structured bond containing an option written on another index. We apply expected utility maximization...
Fusion-bonded fluidic interconnects
Fazal, I.; Elwenspoek, Michael Curt
2008-01-01
A new approach to realize fluidic interconnects based on the fusion bonding of glass tubes with silicon is presented. Fusion bond strength analyses have been carried out. Experiments with plain silicon wafers and coated with silicon oxide and silicon nitride are performed. The obtained results are
Distance Education in Technological Age
R .C. SHARMA
2005-01-01
Distance Education in Technological AgeRomesh Verma (Editor), New Delhi: Anmol Publications, 2005, ISBN 81-261-2210-2, pp. 419 Reviewed by R C SHARMARegional DirectorIndira Gandhi National Open University-INDIA The advancements in information and communication technologies have brought significant changes in the way the open and distance learning are provided to the learners. The impact of such changes is quite visible in both developed and developing countries. Switching over to online mode...
SOCIAL BONDING: REGULATION BY NEUROPEPTIDES
Directory of Open Access Journals (Sweden)
Claudia eLieberwirth
2014-06-01
Full Text Available Affiliative social relationships (e.g., among spouses, family members, and friends play an essential role in human society. These relationships affect psychological, physiological, and behavioral functions. As positive and enduring bonds are critical for the overall well-being of humans, it is not surprising that considerable effort has been made to study the neurobiological mechanisms that underlie social bonding behaviors. The present review details the involvement of the nonapeptides, oxytocin (OT and arginine vasopressin (AVP, in the regulation of social bonding in mammals including humans. In particular, we will discuss the role of OT and AVP in the formation of social bonds between partners of a mating pair as well as between parents and their offspring. Furthermore, the role of OT and AVP in the formation of interpersonal bonding involving trust is also discussed.
Fusion-bonded fluidic interconnects
International Nuclear Information System (INIS)
Fazal, I; Elwenspoek, M C
2008-01-01
A new approach to realize fluidic interconnects based on the fusion bonding of glass tubes with silicon is presented. Fusion bond strength analyses have been carried out. Experiments with plain silicon wafers and coated with silicon oxide and silicon nitride are performed. The obtained results are discussed in terms of the homogeneity and strength of fusion bond. High pressure testing shows that the bond strength is large enough for most applications of fluidic interconnects. The bond strength for 525 µm thick silicon, with glass tubes having an outer diameter of 6 mm and with a wall thickness of 2 mm, is more than 60 bars after annealing at a temperature of 800 °C
Sibling bereavement and continuing bonds.
Packman, Wendy; Horsley, Heidi; Davies, Betty; Kramer, Robin
2006-11-01
Historically, from a Freudian and medical model perspective, emotional disengagement from the deceased was seen as essential to the successful adaptation of bereavement. A major shift in the bereavement literature has occurred and it is now generally accepted that despite the permanence of physical separation, the bereaved remains involved and connected to the deceased and can be emotionally sustained through continuing bonds. The majority of literature has focused on adults and on the nature of continuing bonds following the death of a spouse. In this article, the authors demonstrate how the continuing bonds concept applies to the sibling relationship. We describe the unique continued relationship formed by bereaved children and adolescents following a sibling loss, highlight the factors that influence the siblings continuing bonds expressions, and offer clinical interventions. In our view, mental health professionals can play an important role in helping parents encourage activities that may facilitate the creation and maintenance of continuing bonds in their children.
Directory of Open Access Journals (Sweden)
João Carlos Gomes
2008-01-01
Full Text Available New dental restorative materials have been developed to meet not only the functional demands, but esthetics as well, and in the last few years an enormous range of new materials has appeared for use in dentistry. Among them, several adhesive systems, and different operative techniques for each group materials. Therefore, is indispensable for the professional to know about the properties, characteristics, and association of these materials with the dental structures, in order to select and use them correctly. Should conventional self-etching adhesive systems be used? This question encouraged this literature review to be conducted, with the aim of comparing the conventional adhesive systems with the self-etching systems and to look for scientific data that would help professionals to choose which adhesive system to use. When compared to conventional systems, it was noted that the self-etching systems show less sensitivity to technique, especially as regards errors the operator could commit. The self-etching systems, particularly the 2-step type, have shown equivalent values of bond strength, marginal microleakage and performance, therefore, will be an option for direct composite resin restorations in posterior teeth.
Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case
Karina Mroczyńska; Małgorzata Kaczorowska; Erkki Kolehmainen; Ireneusz Grubecki; Marek Pietrzak; Borys Ośmiałowski
2015-01-01
Summary The association of substituted benzoates and naphthyridine dianions was used to study the complexation of dibutyltriuret. The title molecule is the simplest molecule able to form two intramolecular hydrogen bonds. The naphthyridine salt was used to break two intramolecular hydrogen bonds at a time while with the use of substituted benzoates the systematic approach to study association was achieved. Both, titrations and variable temperature measurements shed the light on the importance...
Equilibrium 𝛽-limits in classical stellarators
Loizu, J.; Hudson, S. R.; Nührenberg, C.; Geiger, J.; Helander, P.
2017-12-01
A numerical investigation is carried out to understand the equilibrium -limit in a classical stellarator. The stepped-pressure equilibrium code (Hudson et al., Phys. Plasmas, vol. 19 (11), 2012) is used in order to assess whether or not magnetic islands and stochastic field-lines can emerge at high . Two modes of operation are considered: a zero-net-current stellarator and a fixed-iota stellarator. Despite the fact that relaxation is allowed (Taylor, Rev. Mod. Phys., vol. 58 (3), 1986, pp. 741-763), the former is shown to maintain good flux surfaces up to the equilibrium -limit predicted by ideal-magnetohydrodynamics (MHD), above which a separatrix forms. The latter, which has no ideal equilibrium -limit, is shown to develop regions of magnetic islands and chaos at sufficiently high , thereby providing a `non-ideal -limit'. Perhaps surprisingly, however, the value of at which the Shafranov shift of the axis reaches a fraction of the minor radius follows in all cases the scaling laws predicted by ideal-MHD. We compare our results to the High-Beta-Stellarator theory of Freidberg (Ideal MHD, 2014, Cambridge University Press) and derive a new prediction for the non-ideal equilibrium -limit above which chaos emerges.
Aerospace Applications of Non-Equilibrium Plasma
Blankson, Isaiah M.
2016-01-01
Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).
Development of a Thermal Equilibrium Prediction Algorithm
International Nuclear Information System (INIS)
Aviles-Ramos, Cuauhtemoc
2002-01-01
A thermal equilibrium prediction algorithm is developed and tested using a heat conduction model and data sets from calorimetric measurements. The physical model used in this study is the exact solution of a system of two partial differential equations that govern the heat conduction in the calorimeter. A multi-parameter estimation technique is developed and implemented to estimate the effective volumetric heat generation and thermal diffusivity in the calorimeter measurement chamber, and the effective thermal diffusivity of the heat flux sensor. These effective properties and the exact solution are used to predict the heat flux sensor voltage readings at thermal equilibrium. Thermal equilibrium predictions are carried out considering only 20% of the total measurement time required for thermal equilibrium. A comparison of the predicted and experimental thermal equilibrium voltages shows that the average percentage error from 330 data sets is only 0.1%. The data sets used in this study come from calorimeters of different sizes that use different kinds of heat flux sensors. Furthermore, different nuclear material matrices were assayed in the process of generating these data sets. This study shows that the integration of this algorithm into the calorimeter data acquisition software will result in an 80% reduction of measurement time. This reduction results in a significant cutback in operational costs for the calorimetric assay of nuclear materials. (authors)
Partial chemical equilibrium in fluid dynamics
International Nuclear Information System (INIS)
Ramshaw, J.D.
1980-01-01
An analysis is given for the flow of a multicomponent fluid in which an arbitrary number of chemical reactions may occur, some of which are in equilibrium while the others proceed kinetically. The primitive equations describing this situation are inconvenient to use because the progress rates omega-dot/sub s/ for the equilibrium reactions are determined implicitly by the associated equilibrium constraint conditions. Two alternative equivalent equation systems that are more pleasant to deal with are derived. In the first system, the omega-dot/sub s/ are eliminated by replacing the transport equations for the chemical species involved in the equilibrium reactions with transport equations for the basic components of which these species are composed. The second system retains the usual species transport equations, but eliminates the nonlinear algebraic equilibrium constraint conditions by deriving an explicit expression for the omega-dot/sub s/. Both systems are specialized to the case of an ideal gas mixture. Considerations involved in solving these equation systems numerically are discussed briefly
Density functional study of the bonding in small silicon clusters
International Nuclear Information System (INIS)
Fournier, R.; Sinnott, S.B.; DePristo, A.E.
1992-01-01
We report the ground electronic state, equilibrium geometry, vibrational frequencies, and binding energy for various isomers of Si n (n = 2--8) obtained with the linear combination of atomic orbitals-density functional method. We used both a local density approximation approach and one with gradient corrections. Our local density approximation results concerning the relative stability of electronic states and isomers are in agreement with Hartree--Fock and Moller--Plesset (MP2) calculations [K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988)]. The binding energies calculated with the gradient corrected functional are in good agreement with experiment (Si 2 and Si 3 ) and with the best theoretical estimates. Our analysis of the bonding reveals two limiting modes of bonding and classes of silicon clusters. One class of clusters is characterized by relatively large s atomic populations and a large number of weak bonds, while the other class of clusters is characterized by relatively small s atomic populations and a small number of strong bonds
TDDFT study on intramolecular hydrogen bond of photoexcited methyl salicylate.
Qu, Peng; Tian, Dongxu
2014-01-01
The equilibrium geometries, IR-spectra and transition mechanism of intramolecular hydrogen-bonded methyl salicylate in excited state were studied using DFT and TDDFT with 6-31++G (d, p) basis set. The length of hydrogen bond OH⋯OC is decreased from 1.73 Å in the ground state to 1.41 and 1.69 Å in the excited S1 and S3 states. The increase of bond length for HO and CO group also indicates that in excited state the hydrogen bond OH⋯OC is strengthened. IR spectra show HO and CO stretching bands are strongly redshifted by 1387 and 67 cm(-1) in the excited S1 and S3 states comparing to the ground state. The excitation energy and the absorption spectrum show the S3 state is the main excited state of the low-lying excited states. By analyzing the frontier molecular orbitals, the transition from the ground state to the excited S1 and S3 states was predicted to be the π→π∗ mode. Copyright © 2013 Elsevier B.V. All rights reserved.
Influence of collective excitations on pre-equilibrium and equilibrium processes
International Nuclear Information System (INIS)
Ignatyuk, A.V.; Lunev, V.P.
1990-01-01
The influence of the collective states excitations on equilibrium and preequilibrium processes in reaction is discussed. It is shown that for a consistent description of the contribution of preequilibrium and equilibrium compound processes collective states should be taken into account in the level density calculations. The microscopic and phenomenological approaches for the level density calculations are discussed. 13 refs.; 8 figs
A note on existence of mixed solutions to equilibrium problems with equilibrium constraints
Czech Academy of Sciences Publication Activity Database
Červinka, Michal
2007-01-01
Roč. 2007, č. 24 (2007), s. 27-44 ISSN 1212-074X R&D Projects: GA AV ČR IAA1030405 Institutional research plan: CEZ:AV0Z10750506 Keywords : equilibrium problems with equilibrium constraints * variational analysis * mixed strategy Subject RIV: BA - General Mathematics
Dannhauser, Walter
1980-01-01
Described is an experiment designed to provide an experimental basis for a unifying point of view (utilizing theoretical framework and chemistry laboratory experiments) for physical chemistry students. Three experiments are described: phase equilibrium, chemical equilibrium, and a test of the third law of thermodynamics. (Author/DS)
BOOK REVIEW BUILDING VIRTUAL COMMUNITIES OF PRACTICE FOR DISTANCE EDUCATORS
Directory of Open Access Journals (Sweden)
Gokhan Deniz DINCER
2016-01-01
Full Text Available Dr. M. Aaron Bond currently serves as the Director for Learning Design and Development for Networked Learning Design and Strategies (NLDS at Virginia Tech. He has worked in the field of instructional technology, distance education, and professional development for more than 15 years. He has earned A.A.S. from Virginia Western Community College in Education, a B.A. in History from Mary Baldwin College, an M.A. Interdisciplinary Studies from Fort Hayes State University, an Ed.S. Educational Leadership and Policy Studies from the University of Virginia, and a Ph.D. from Virginia Tech in Curriculum and Instruction. Dr. Bond has served as a corporate trainer, face-to-face classroom instructor, an online instructor, and a secondary principal.
Non-Equilibrium Thermodynamics in Multiphase Flows
Mauri, Roberto
2013-01-01
Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...
Module description of TOKAMAK equilibrium code MEUDAS
Energy Technology Data Exchange (ETDEWEB)
Suzuki, Masaei; Hayashi, Nobuhiko; Matsumoto, Taro; Ozeki, Takahisa [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment
2002-01-01
The analysis of an axisymmetric MHD equilibrium serves as a foundation of TOKAMAK researches, such as a design of devices and theoretical research, the analysis of experiment result. For this reason, also in JAERI, an efficient MHD analysis code has been developed from start of TOKAMAK research. The free boundary equilibrium code ''MEUDAS'' which uses both the DCR method (Double-Cyclic-Reduction Method) and a Green's function can specify the pressure and the current distribution arbitrarily, and has been applied to the analysis of a broad physical subject as a code having rapidity and high precision. Also the MHD convergence calculation technique in ''MEUDAS'' has been built into various newly developed codes. This report explains in detail each module in ''MEUDAS'' for performing convergence calculation in solving the MHD equilibrium. (author)
Computational studies in tokamak equilibrium and transport
International Nuclear Information System (INIS)
Braams, B.J.
1986-01-01
This thesis is concerned with some problems arising in the magnetic confinement approach to controlled thermonuclear fusion. The work address the numerical modelling of equilibrium and transport properties of a confined plasma and the interpretation of experimental data. The thesis is divided in two parts. Part 1 is devoted to some aspects of the MHD equilibrium problem, both in the 'direct' formulation (given an equation for the plasma current, the corresponding equilibrium is to be determined) and in the 'inverse' formulation (the interpretation of measurements at the plasma edge). Part 2 is devoted to numerical studies of the edge plasma. The appropriate Navier-Stokes system of fluid equations is solved in a two-dimensional geometry. The main interest of this work is to develop an understanding of particle and energy transport in the scrape-off layer and onto material boundaries, and also to contribute to the conceptual design of the NET/INTOR tokamak reactor experiment. (Auth.)
Scaling studies of spheromak formation and equilibrium
International Nuclear Information System (INIS)
Geddes, C.G.; Kornack, T.W.; Brown, M.R.
1998-01-01
Formation and equilibrium studies have been performed on the Swarthmore Spheromak Experiment (SSX). Spheromaks are formed with a magnetized coaxial plasma gun and equilibrium is established in both small (d small =0.16 m) and large (d large =3d small =0.50 m) copper flux conservers. Using magnetic probe arrays it has been verified that spheromak formation is governed solely by gun physics (in particular the ratio of gun current to flux, μ 0 I gun /Φ gun ) and is independent of the flux conserver dimensions. It has also been verified that equilibrium is well described by the force free condition ∇xB=λB (λ=constant), particularly early in decay. Departures from the force-free state are due to current profile effects described by a quadratic function λ=λ(ψ). Force-free SSX spheromaks will be merged to study magnetic reconnection in simple magnetofluid structures. copyright 1998 American Institute of Physics
Regret Theory and Equilibrium Asset Prices
Directory of Open Access Journals (Sweden)
Jiliang Sheng
2014-01-01
Full Text Available Regret theory is a behavioral approach to decision making under uncertainty. In this paper we assume that there are two representative investors in a frictionless market, a representative active investor who selects his optimal portfolio based on regret theory and a representative passive investor who invests only in the benchmark portfolio. In a partial equilibrium setting, the objective of the representative active investor is modeled as minimization of the regret about final wealth relative to the benchmark portfolio. In equilibrium this optimal strategy gives rise to a behavioral asset priciting model. We show that the market beta and the benchmark beta that is related to the investor’s regret are the determinants of equilibrium asset prices. We also extend our model to a market with multibenchmark portfolios. Empirical tests using stock price data from Shanghai Stock Exchange show strong support to the asset pricing model based on regret theory.
Non-equilibrium quantum heat machines
Alicki, Robert; Gelbwaser-Klimovsky, David
2015-11-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.
Relativistic Fluid Dynamics Far From Local Equilibrium
Romatschke, Paul
2018-01-01
Fluid dynamics is traditionally thought to apply only to systems near local equilibrium. In this case, the effective theory of fluid dynamics can be constructed as a gradient series. Recent applications of resurgence suggest that this gradient series diverges, but can be Borel resummed, giving rise to a hydrodynamic attractor solution which is well defined even for large gradients. Arbitrary initial data quickly approaches this attractor via nonhydrodynamic mode decay. This suggests the existence of a new theory of far-from-equilibrium fluid dynamics. In this Letter, the framework of fluid dynamics far from local equilibrium for a conformal system is introduced, and the hydrodynamic attractor solutions for resummed Baier-Romatschke-Son-Starinets-Stephanov theory, kinetic theory in the relaxation time approximation, and strongly coupled N =4 super Yang-Mills theory are identified for a system undergoing Bjorken flow.
Answer Sets in a Fuzzy Equilibrium Logic
Schockaert, Steven; Janssen, Jeroen; Vermeir, Dirk; de Cock, Martine
Since its introduction, answer set programming has been generalized in many directions, to cater to the needs of real-world applications. As one of the most general “classical” approaches, answer sets of arbitrary propositional theories can be defined as models in the equilibrium logic of Pearce. Fuzzy answer set programming, on the other hand, extends answer set programming with the capability of modeling continuous systems. In this paper, we combine the expressiveness of both approaches, and define answer sets of arbitrary fuzzy propositional theories as models in a fuzzification of equilibrium logic. We show that the resulting notion of answer set is compatible with existing definitions, when the syntactic restrictions of the corresponding approaches are met. We furthermore locate the complexity of the main reasoning tasks at the second level of the polynomial hierarchy. Finally, as an illustration of its modeling power, we show how fuzzy equilibrium logic can be used to find strong Nash equilibria.
Module description of TOKAMAK equilibrium code MEUDAS
International Nuclear Information System (INIS)
Suzuki, Masaei; Hayashi, Nobuhiko; Matsumoto, Taro; Ozeki, Takahisa
2002-01-01
The analysis of an axisymmetric MHD equilibrium serves as a foundation of TOKAMAK researches, such as a design of devices and theoretical research, the analysis of experiment result. For this reason, also in JAERI, an efficient MHD analysis code has been developed from start of TOKAMAK research. The free boundary equilibrium code ''MEUDAS'' which uses both the DCR method (Double-Cyclic-Reduction Method) and a Green's function can specify the pressure and the current distribution arbitrarily, and has been applied to the analysis of a broad physical subject as a code having rapidity and high precision. Also the MHD convergence calculation technique in ''MEUDAS'' has been built into various newly developed codes. This report explains in detail each module in ''MEUDAS'' for performing convergence calculation in solving the MHD equilibrium. (author)
Non-equilibrium quantum heat machines
International Nuclear Information System (INIS)
Alicki, Robert; Gelbwaser-Klimovsky, David
2015-01-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound. (paper)
Interfaces at equilibrium: A guide to fundamentals.
Marmur, Abraham
2017-06-01
The fundamentals of the thermodynamics of interfaces are reviewed and concisely presented. The discussion starts with a short review of the elements of bulk thermodynamics that are also relevant to interfaces. It continues with the interfacial thermodynamics of two-phase systems, including the definition of interfacial tension and adsorption. Finally, the interfacial thermodynamics of three-phase (wetting) systems is discussed, including the topic of non-wettable surfaces. A clear distinction is made between equilibrium conditions, in terms of minimizing energies (internal, Gibbs or Helmholtz), and equilibrium indicators, in terms of measurable, intrinsic properties (temperature, chemical potential, pressure). It is emphasized that the equilibrium indicators are the same whatever energy is minimized, if the boundary conditions are properly chosen. Also, to avoid a common confusion, a distinction is made between systems of constant volume and systems with drops of constant volume. Copyright © 2016 Elsevier B.V. All rights reserved.
Approach to chemical equilibrium in thermal models
International Nuclear Information System (INIS)
Boal, D.H.
1984-01-01
The experimentally measured (μ - , charged particle)/(μ - ,n) and (p,n/p,p') ratios for the emission of energetic nucleons are used to estimate the time evolution of a system of secondary nucleons produced in a direct interaction of a projectile or captured muon. The values of these ratios indicate that chemical equilibrium is not achieved among the secondary nucleons in noncomposite induced reactions, and this restricts the time scale for the emission of energetic nucleons to be about 0.7 x 10 -23 sec. It is shown that the reason why thermal equilibrium can be reached so rapidly for a particular nucleon species is that the sum of the particle spectra produced in multiple direct reactions looks surprisingly thermal. The rate equations used to estimate the reaction times for muon and nucleon induced reactions are then applied to heavy ion collisions, and it is shown that chemical equilibrium can be reached more rapidly, as one would expect
Isotope effects in the equilibrium and non-equilibrium vaporization of tritiated water and ice
International Nuclear Information System (INIS)
Baumgaertner, F.; Kim, M.-A.
1990-01-01
The vaporization isotope effect of the HTO/H 2 O system has been measured at various temperatures and pressures under equilibrium as well as non-equilibrium conditions. The isotope effect values measured in equilibrium sublimation or distillation are in good agreement with the theoretical values based on the harmonic oscillator model. In non-equilibrium vaporization at low temperatures ( 0 C), the isotope effect decreases rapidly with decreasing system pressure and becomes negligible when the system pressure is lowered more than one tenth of the equilibrium vapor pressure. At higher temperatures, the isotope effect decreases very slowly with decreasing system pressure. Discussion is extended for the application of the present results to the study of biological enrichment of tritium. (author)
Measuring distances between complex networks
International Nuclear Information System (INIS)
Andrade, Roberto F.S.; Miranda, Jose G.V.; Pinho, Suani T.R.; Lobao, Thierry Petit
2008-01-01
A previously introduced concept of higher order neighborhoods in complex networks, [R.F.S. Andrade, J.G.V. Miranda, T.P. Lobao, Phys. Rev. E 73 (2006) 046101] is used to define a distance between networks with the same number of nodes. With such measure, expressed in terms of the matrix elements of the neighborhood matrices of each network, it is possible to compare, in a quantitative way, how far apart in the space of neighborhood matrices two networks are. The distance between these matrices depends on both the network topologies and the adopted node numberings. While the numbering of one network is fixed, a Monte Carlo algorithm is used to find the best numbering of the other network, in the sense that it minimizes the distance between the matrices. The minimal value found for the distance reflects differences in the neighborhood structures of the two networks that arise only from distinct topologies. This procedure ends up by providing a projection of the first network on the pattern of the second one. Examples are worked out allowing for a quantitative comparison for distances among distinct networks, as well as among distinct realizations of random networks
Computing Distances between Probabilistic Automata
Directory of Open Access Journals (Sweden)
Mathieu Tracol
2011-07-01
Full Text Available We present relaxed notions of simulation and bisimulation on Probabilistic Automata (PA, that allow some error epsilon. When epsilon is zero we retrieve the usual notions of bisimulation and simulation on PAs. We give logical characterisations of these notions by choosing suitable logics which differ from the elementary ones, L with negation and L without negation, by the modal operator. Using flow networks, we show how to compute the relations in PTIME. This allows the definition of an efficiently computable non-discounted distance between the states of a PA. A natural modification of this distance is introduced, to obtain a discounted distance, which weakens the influence of long term transitions. We compare our notions of distance to others previously defined and illustrate our approach on various examples. We also show that our distance is not expansive with respect to process algebra operators. Although L without negation is a suitable logic to characterise epsilon-(bisimulation on deterministic PAs, it is not for general PAs; interestingly, we prove that it does characterise weaker notions, called a priori epsilon-(bisimulation, which we prove to be NP-difficult to decide.
Distance sampling methods and applications
Buckland, S T; Marques, T A; Oedekoven, C S
2015-01-01
In this book, the authors cover the basic methods and advances within distance sampling that are most valuable to practitioners and in ecology more broadly. This is the fourth book dedicated to distance sampling. In the decade since the last book published, there have been a number of new developments. The intervening years have also shown which advances are of most use. This self-contained book covers topics from the previous publications, while also including recent developments in method, software and application. Distance sampling refers to a suite of methods, including line and point transect sampling, in which animal density or abundance is estimated from a sample of distances to detected individuals. The book illustrates these methods through case studies; data sets and computer code are supplied to readers through the book’s accompanying website. Some of the case studies use the software Distance, while others use R code. The book is in three parts. The first part addresses basic methods, the ...
Directory of Open Access Journals (Sweden)
Kuburović Miloš
2002-01-01
Full Text Available During dry flue gas desulphurisation (FGD dry particles of reagents are inserted (injected in the stream of flue gas, where they bond SO2. As reagents, the most often are used compounds of calcium (CaCO3, CaO or Ca(OH2. Knowledge of free energy and equilibrium constants of chemical reactions during dry FGD is necessary for understanding of influence of flue gas temperature to course of these chemical reactions as well as to SO2 bonding from flue gases.
Quantum gambling based on Nash-equilibrium
Zhang, Pei; Zhou, Xiao-Qi; Wang, Yun-Long; Liu, Bi-Heng; Shadbolt, Pete; Zhang, Yong-Sheng; Gao, Hong; Li, Fu-Li; O'Brien, Jeremy L.
2017-06-01
The problem of establishing a fair bet between spatially separated gambler and casino can only be solved in the classical regime by relying on a trusted third party. By combining Nash-equilibrium theory with quantum game theory, we show that a secure, remote, two-party game can be played using a quantum gambling machine which has no classical counterpart. Specifically, by modifying the Nash-equilibrium point we can construct games with arbitrary amount of bias, including a game that is demonstrably fair to both parties. We also report a proof-of-principle experimental demonstration using linear optics.
Asymptotic stability estimates near an equilibrium point
Dumas, H. Scott; Meyer, Kenneth R.; Palacián, Jesús F.; Yanguas, Patricia
2017-07-01
We use the error bounds for adiabatic invariants found in the work of Chartier, Murua and Sanz-Serna [3] to bound the solutions of a Hamiltonian system near an equilibrium over exponentially long times. Our estimates depend only on the linearized system and not on the higher order terms as in KAM theory, nor do we require any steepness or convexity conditions as in Nekhoroshev theory. We require that the equilibrium point where our estimate applies satisfy a type of formal stability called Lie stability.
Entropy and equilibrium via games of complexity
Topsøe, Flemming
2004-09-01
It is suggested that thermodynamical equilibrium equals game theoretical equilibrium. Aspects of this thesis are discussed. The philosophy is consistent with maximum entropy thinking of Jaynes, but goes one step deeper by deriving the maximum entropy principle from an underlying game theoretical principle. The games introduced are based on measures of complexity. Entropy is viewed as minimal complexity. It is demonstrated that Tsallis entropy ( q-entropy) and Kaniadakis entropy ( κ-entropy) can be obtained in this way, based on suitable complexity measures. A certain unifying effect is obtained by embedding these measures in a two-parameter family of entropy functions.
Equilibrium calculations for helical axis stellarators
International Nuclear Information System (INIS)
Hender, T.C.; Carreras, B.A.
1984-04-01
An average method based on a vacuum flux coordinate system is presented. This average method permits the study of helical axis stellarators with toroidally dominated shifts. An ordering is introduced, and to lowest order the toroidally averaged equilibrium equations are reduced to a Grad-Shafranov equation. Also, to lowest order, a Poisson-type equation is obtained for the toroidally varying corrections to the equilibium. By including these corrections, systems that are toroidally dominated, but with significant helical distortion to the equilibrium, may be studied. Numerical solutions of the average method equations are shown to agree well with three-dimensional calculations
Equilibrium distribution function in collisionless systems
International Nuclear Information System (INIS)
Pergamenshchik, V.M.
1988-01-01
Collisionless systems of a large number of N particles interacting by Coulomb forces are widely spread in cosmic and laboratory plasma. A statistical theory of equilibrium state of collisionless Coulomb systems which evolution obeys Vlasov equation is proposed. The developed formalism permits a sequential consideration of such distributed in one-particle six-dimensional phase space of a system and to obtain a simple result: equilibrium distribution function has the form of Fermi-Dirac distribution and doesn't depend on initial state factors
Micro Data and General Equilibrium Models
DEFF Research Database (Denmark)
Browning, Martin; Hansen, Lars Peter; Heckman, James J.
1999-01-01
Dynamic general equilibrium models are required to evaluate policies applied at the national level. To use these models to make quantitative forecasts requires knowledge of an extensive array of parameter values for the economy at large. This essay describes the parameters required for different...... economic models, assesses the discordance between the macromodels used in policy evaluation and the microeconomic models used to generate the empirical evidence. For concreteness, we focus on two general equilibrium models: the stochastic growth model extended to include some forms of heterogeneity...
Thermodynamic equilibrium in relativistic rotating systems
International Nuclear Information System (INIS)
Suen, W.M.; Washington Univ., St. Louis, MO; Young, K.
1988-01-01
The thermodynamic equilibrium configurations of relativistic rotating stars are studied using the maximum entropy principle. It is shown that the heuristic arguments for the equilibrium conditions can be developed into a maximum entropy principle in which the variations are carried out in a fixed background spacetime. This maximum principle with the fixed background assumption is technically simpler than, but has to be justified by, a maximum entropy principle without the assumption. Such a maximum entropy principle is formulated in this paper, showing that the general relativistic system can be treated on the same footing as other long-range force systems. (author)
The empirical equilibrium structure of diacetylene
Thorwirth, S.; Harding, M. E.; Muders, D.; Gauss, J.
2008-01-01
High-level quantum-chemical calculations are reported at the MP2 and CCSD(T) levels of theory for the equilibrium structure and the harmonic and anharmonic force fields of diacetylene, HCCCCH. The calculations were performed employing Dunning's hierarchy of correlation-consistent basis sets cc-pVXZ, cc-pCVXZ, and cc-pwCVXZ, as well as the ANO2 basis set of Almloef and Taylor. An empirical equilibrium structure based on experimental rotational constants for thirteen isotopic species of diacety...
MHD equilibrium of heliotron J plasmas
International Nuclear Information System (INIS)
Suzuki, Yasuhiro; Nakamura, Yuji; Kondo, Katsumi; Nakajima, Noriyoshi; Hayashi, Takaya
2004-01-01
MHD equilibria of Heliotron J plasma are investigated by using HINT code. By assuming some profiles of the current density, effects of the net toroidal currents on the magnetohydrodynamics (MHD) equilibrium are investigated. If the rotational transform can be controlled by the currents, the generation of good flux surfaces is expected. In order to study equilibria with self-consistent bootstrap current, the boozer coordinates are constructed by converged HINT equilibrium as a preliminary study. Obtained spectra are compared with ones of VMEC code and both results are consistent. (author)
Current control necessary for toroidal plasma equilibrium
International Nuclear Information System (INIS)
Nagao, S.
1987-01-01
It is shown that a significant amount of dipole current is necessary for the plasma equilibrium of toroidal configurations in general. Through the vector product with the poloidal field, this dipole current force has to balance with the hoop force of plasma pressure itself of the annular shape. The measurement of such a current of dipole type may be interesting for the confirmation of the plasma equilibrium in the toroidal system. Moreover it is certained that there is a new mode of a tokamak operation with such a dipole current component and with smaller vertical field than that based on the classical tokamak theory. (author) [pt
Algorithm For Hypersonic Flow In Chemical Equilibrium
Palmer, Grant
1989-01-01
Implicit, finite-difference, shock-capturing algorithm calculates inviscid, hypersonic flows in chemical equilibrium. Implicit formulation chosen because overcomes limitation on mathematical stability encountered in explicit formulations. For dynamical portion of problem, Euler equations written in conservation-law form in Cartesian coordinate system for two-dimensional or axisymmetric flow. For chemical portion of problem, equilibrium state of gas at each point in computational grid determined by minimizing local Gibbs free energy, subject to local conservation of molecules, atoms, ions, and total enthalpy. Major advantage: resulting algorithm naturally stable and captures strong shocks without help of artificial-dissipation terms to damp out spurious numerical oscillations.
Computing Properties Of Chemical Mixtures At Equilibrium
Mcbride, B. J.; Gordon, S.
1995-01-01
Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.
On financial equilibrium with intermediation costs
DEFF Research Database (Denmark)
Markeprand, Tobias Ejnar
2008-01-01
This paper studies the set of competitive equilibria in financial economies with intermediation costs. We consider an arbitrary dividend structure, which includes options and equity with limited liabilities.We show a general existence result and upper-hemi continuity of the equilibrium correspond......This paper studies the set of competitive equilibria in financial economies with intermediation costs. We consider an arbitrary dividend structure, which includes options and equity with limited liabilities.We show a general existence result and upper-hemi continuity of the equilibrium...
14 CFR 67.205 - Ear, nose, throat, and equilibrium.
2010-01-01
... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium. ...
14 CFR 67.105 - Ear, nose, throat, and equilibrium.
2010-01-01
... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium. ...
14 CFR 67.305 - Ear, nose, throat, and equilibrium.
2010-01-01
... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium. ...
46 CFR 42.20-12 - Conditions of equilibrium.
2010-10-01
... 46 Shipping 2 2010-10-01 2010-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet the...
Statistical equilibrium equations for trace elements in stellar atmospheres
Kubat, Jiri
2010-01-01
The conditions of thermodynamic equilibrium, local thermodynamic equilibrium, and statistical equilibrium are discussed in detail. The equations of statistical equilibrium and the supplementary equations are shown together with the expressions for radiative and collisional rates with the emphasize on the solution for trace elements.
Roll bonding of strained aluminium
DEFF Research Database (Denmark)
Staun, Jakob M.
2003-01-01
This report investigates roll bonding of pre-strained (å ~ 4) aluminium sheets to produce high strain material from high purity aluminium (99.996%) and commercial pure aluminium (99.6%). The degree of bonding is investigated by optical microscopy and ultrasonic scanning. Under the right...... of the cross rolled volume fraction is found. To further asses this effect, and the anisotropy, it is necessary to acquire knowledge about both texture and microstructure, e.g. by TEM. Roll bonding of pre-strained aluminium is found to be a possible alternative to ARB in the quest for ultra-fine grained...
Direct Bonded Pontic (Laporan Kasus
Directory of Open Access Journals (Sweden)
Suhandi Sidjaja
2015-10-01
Full Text Available Advanced science and technology in dentistry enable dental practitioners to modified she bonding techniques in tooth replacement. A pontic made of composite resin bonded to etched enamel of the adjacent teeth can be used in the replacement of one missing anterior tooth with a virgin or sowed adpicent tooth. The advantages of this technique include a one visit treatment, cow cost, good esthetics, less side effects and easy repair or rebounding. Clinical evaluation showed a high success rate therefore with a proper diagnosis and a perfect skill of the direct bonded technique this treatment can be used as an alternative restoration.
Role of the Disulfide Bond in Prion Protein Amyloid Formation: A Thermodynamic and Kinetic Analysis.
Honda, Ryo
2018-02-27
Prion diseases are associated with the structural conversion of prion protein (PrP) to a β-sheet-rich aggregate, PrP Sc . Previous studies have indicated that a reduction of the disulfide bond linking C179 and C214 of PrP yields an amyloidlike β-rich aggregate in vitro. To gain mechanistic insights into the reduction-induced aggregation, here I characterized how disulfide bond reduction modulates the protein folding/misfolding landscape of PrP, by examining 1) the equilibrium stabilities of the native (N) and aggregated states relative to the unfolded (U) state, 2) the transition barrier separating the U and aggregated states, and 3) the final structure of amyloidlike misfolded aggregates. Kinetic and thermodynamic experiments revealed that disulfide bond reduction decreases the equilibrium stabilities of both the N and aggregated states by ∼3 kcal/mol, without changing either the amyloidlike aggregate structure, at least at the secondary structural level, or the transition barrier of aggregation. Therefore, disulfide bond reduction modulates the protein folding/misfolding landscape by entropically stabilizing disordered states, including the U and transition state of aggregation. This also indicates that the equilibrium stability of the N state, but not the transition barrier of aggregation, is the dominant factor determining the reduction-induced aggregation of PrP. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Euclidean distance geometry an introduction
Liberti, Leo
2017-01-01
This textbook, the first of its kind, presents the fundamentals of distance geometry: theory, useful methodologies for obtaining solutions, and real world applications. Concise proofs are given and step-by-step algorithms for solving fundamental problems efficiently and precisely are presented in Mathematica®, enabling the reader to experiment with concepts and methods as they are introduced. Descriptive graphics, examples, and problems, accompany the real gems of the text, namely the applications in visualization of graphs, localization of sensor networks, protein conformation from distance data, clock synchronization protocols, robotics, and control of unmanned underwater vehicles, to name several. Aimed at intermediate undergraduates, beginning graduate students, researchers, and practitioners, the reader with a basic knowledge of linear algebra will gain an understanding of the basic theories of distance geometry and why they work in real life.
Geodesic distance in planar graphs
International Nuclear Information System (INIS)
Bouttier, J.; Di Francesco, P.; Guitter, E.
2003-01-01
We derive the exact generating function for planar maps (genus zero fatgraphs) with vertices of arbitrary even valence and with two marked points at a fixed geodesic distance. This is done in a purely combinatorial way based on a bijection with decorated trees, leading to a recursion relation on the geodesic distance. The latter is solved exactly in terms of discrete soliton-like expressions, suggesting an underlying integrable structure. We extract from this solution the fractal dimensions at the various (multi)-critical points, as well as the precise scaling forms of the continuum two-point functions and the probability distributions for the geodesic distance in (multi)-critical random surfaces. The two-point functions are shown to obey differential equations involving the residues of the KdV hierarchy
Adaptive Distance Protection for Microgrids
DEFF Research Database (Denmark)
Lin, Hengwei; Guerrero, Josep M.; Quintero, Juan Carlos Vasquez
2015-01-01
is adopted to accelerate the tripping speed of the relays on the weak lines. The protection methodology is tested on a mid-voltage microgrid network in Aalborg, Denmark. The results show that the adaptive distance protection methodology has good selectivity and sensitivity. What is more, this system also has......Due to the increasing penetration of distributed generation resources, more and more microgrids can be found in distribution systems. This paper proposes a phasor measurement unit based distance protection strategy for microgrids in distribution system. At the same time, transfer tripping scheme...
Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2 interfaces
English, Niall J.; Kavathekar, Ritwik S.; MacElroy, J. M. D.
2012-12-01
Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the hydrogen-bonding kinetics of water in contact with rutile-(110), rutile-(101), rutile-(100), and anatase-(101) surfaces at room temperature (300 K). It was observed that anatase-(101) exhibits the longest-lived hydrogen bonds in terms of overall persistence, followed closely by rutile-(110). The relaxation times, defined as the integral of the autocorrelation of the hydrogen bond persistence function, were also longer for these two cases, while decay of the autocorrelation function was slower. The increased number and overall persistence of hydrogen bonds in the adsorbed water monolayers at these surfaces, particularly for anatase-(101), may serve to promote possible water photolysis activity thereon.
International Nuclear Information System (INIS)
Fan Runhua; Qi Liang; Sun Kangning; Min Guanghui; Gong Hongyu
2006-01-01
Fe 3 Al with D0 3 -ordered structure is one of the few structural intermetallics that can be disordered using non-equilibrium processing techniques. The bonding and magnetic character of the stoichiometric Fe 3 Al, with D0 3 -ordered or disordered structure, have been studied using the empirical electron theory of solid and molecular (EET). It was found that the magnetic property is basically dictated by the chemical bonding. There is a change of the character of the interatomic bonds from 3d(Fe)-3p(Al) for the D0 3 -ordered Fe 3 Al to 4sp(Fe)-3p(Al) for the disordered Fe 3 Al. For the latter, while the Fe 3d electrons participating in bonding is reduced, the mean magnetic moment is increased
The role of radial nodes of atomic orbitals for chemical bonding and the periodic table.
Kaupp, Martin
2007-01-15
The role of radial nodes, or of their absence, in valence orbitals for chemical bonding and periodic trends is discussed from a unified viewpoint. In particular, we emphasize the special role of the absence of a radial node whenever a shell with angular quantum number l is occupied for the first time (lack of "primogenic repulsion"), as with the 1s, 2p, 3d, and 4f shells. Although the consequences of the very compact 2p shell (e.g. good isovalent hybridization, multiple bonding, high electronegativity, lone-pair repulsion, octet rule) are relatively well known, it seems that some of the aspects of the very compact 3d shell in transition-metal chemistry are less well appreciated, e.g., the often weakened and stretched bonds at equilibrium structure, the frequently colored complexes, and the importance of nondynamical electron-correlation effects in bonding. Copyright (c) 2006 Wiley Periodicals, Inc.
Energy Technology Data Exchange (ETDEWEB)
Abbehausen, Camilla; Paiva, Raphael E.F. de [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Formiga, Andre L.B., E-mail: formiga@iqm.unicamp.br [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Corbi, Pedro P. [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil)
2012-10-26
Highlights: Black-Right-Pointing-Pointer Tautomeric equilibrium in solution. Black-Right-Pointing-Pointer Spectroscopic and theoretical studies. Black-Right-Pointing-Pointer UV-Vis theoretical and experimental spectra. Black-Right-Pointing-Pointer {sup 1}H NMR theoretical and experimental spectra. -- Abstract: The tautomeric equilibrium of the thione/thiol forms of 1,3-thiazolidine-2-thione was studied by nuclear magnetic resonance, infrared and ultraviolet-visible spectroscopies. Density functional theory was used to support the experimental data and indicates the predominance of the thione tautomer in the solid state, being in agreement with previously reported crystallographic data. In solution, the tautomeric equilibrium was evaluated using {sup 1}H NMR at different temperatures in four deuterated solvents acetonitrile, dimethylsulfoxide, chloroform and methanol. The equilibrium constants, K = (thiol)/(thione), and free Gibbs energies were obtained by integration of N bonded hydrogen signals at each temperature for each solvent, excluding methanol. The endothermic tautomerization is entropy-driven and the combined effect of solvent and temperature can be used to achieve almost 50% thiol concentrations in solution. The nature of the electronic transitions was investigated theoretically and the assignment of the bands was made using time-dependent DFT as well as the influence of solvent on the energy of the most important bands of the spectra.
Adsorption of saturated fatty acid in urea complexation: Kinetics and equilibrium studies
Setyawardhani, Dwi Ardiana; Sulistyo, Hary; Sediawan, Wahyudi Budi; Fahrurrozi, Mohammad
2018-02-01
Urea complexation is fractionation process for concentrating poly-unsaturated fatty acids (PUFAs) from vegetable oil or animal fats. For process design and optimization in commercial industries, it is necessary to provide kinetics and equilibrium data. Urea inclusion compounds (UICs) as the product is a unique complex form which one molecule (guest) is enclosed within another molecule (host). In urea complexation, the guest-host bonding exists between saturated fatty acids (SFAs) and crystalline urea. This research studied the complexation is analogous to an adsorption process. The Batch adsorption process was developed to obtain the experimental data. The ethanolic urea solution was mixed with SFA in certain compositions and adsorption times. The mixture was heated until it formed homogenous and clear solution, then it cooled very slowly until the first numerous crystal appeared. Adsorption times for the kinetic data were determined since the crystal formed. The temperature was maintained constant at room temperature. Experimental sets of data were observed with adsorption kinetics and equilibrium models. High concentration of saturated fatty acid (SFA) was used to represent adsorption kinetics and equilibrium parameters. Kinetic data were examined with pseudo first-order, pseudo second-order and intra particle diffusion models. Linier, Freundlich and Langmuir isotherm were used to study the equilibrium model of this adsorption. The experimental data showed that SFA adsorption in urea crystal followed pseudo second-order model. The compatibility of the data with Langmuir isotherm showed that urea complexation was a monolayer adsorption.
Unusual hydrogen bonding in L-cysteine hydrogen fluoride.
Minkov, V S; Ghazaryan, V V; Boldyreva, E V; Petrosyan, A M
2015-08-01
L-Cysteine hydrogen fluoride, or bis(L-cysteinium) difluoride-L-cysteine-hydrogen fluoride (1/1/1), 2C3H8NO2S(+)·2F(-)·C3H7NO2S·HF or L-Cys(+)(L-Cys···L-Cys(+))F(-)(F(-)...H-F), provides the first example of a structure with cations of the 'triglycine sulfate' type, i.e. A(+)(A···A(+)) (where A and A(+) are the zwitterionic and cationic states of an amino acid, respectively), without a doubly charged counter-ion. The salt crystallizes in the monoclinic system with the space group P2(1). The dimeric (L-Cys···L-Cys(+)) cation and the dimeric (F(-)···H-F) anion are formed via strong O-H···O or F-H···F hydrogen bonds, respectively, with very short O···O [2.4438 (19) Å] and F···F distances [2.2676 (17) Å]. The F···F distance is significantly shorter than in solid hydrogen fluoride. Additionally, there is another very short hydrogen bond, of O-H···F type, formed by a L-cysteinium cation and a fluoride ion. The corresponding O···F distance of 2.3412 (19) Å seems to be the shortest among O-H···F and F-H···O hydrogen bonds known to date. The single-crystal X-ray diffraction study was complemented by IR spectroscopy. Of special interest was the spectral region of vibrations related to the above-mentioned hydrogen bonds.
HINT computation of LHD equilibrium with zero rotational transform surface
International Nuclear Information System (INIS)
Kanno, Ryutaro; Toi, Kazuo; Watanabe, Kiyomasa; Hayashi, Takaya; Miura, Hideaki; Nakajima, Noriyoshi; Okamoto Masao
2004-01-01
A Large Helical Device equilibrium having a zero rotational transform surface is studied by using the three dimensional MHD equilibrium code, HINT. We find existence of the equilibrium but with formation of the two or three n=0 islands composing a homoclinic-type structure near the center, where n is a toroidal mode number. The LHD equilibrium maintains the structure, when the equilibrium beta increases. (author)
dimensional architectures via hydrogen bonds
Indian Academy of Sciences (India)
Administrator
organization and has potential applications in the field of magnetism ... The concepts of crystal engineering ... 4. However, the utilization of hydrogen bond supramolecular syn- ... sembling the coordination networks by designing the ligands ...
Hydrogen bonding in tight environments
DEFF Research Database (Denmark)
Pirrotta, Alessandro; Solomon, Gemma C.; Franco, Ignacio
2016-01-01
The single-molecule force spectroscopy of a prototypical class of hydrogen-bonded complexes is computationally investigated. The complexes consist of derivatives of a barbituric acid and a Hamilton receptor that can form up to six simultaneous hydrogen bonds. The force-extension (F-L) isotherms...... of the host-guest complexes are simulated using classical molecular dynamics and the MM3 force field, for which a refined set of hydrogen bond parameters was developed from MP2 ab initio computations. The F-L curves exhibit peaks that signal conformational changes during elongation, the most prominent...... of which is in the 60-180 pN range and corresponds to the force required to break the hydrogen bonds. These peaks in the F-L curves are shown to be sensitive to relatively small changes in the chemical structure of the host molecule. Thermodynamic insights into the supramolecular assembly were obtained...
Adhesives for orthodontic bracket bonding
Directory of Open Access Journals (Sweden)
Déborah Daniella Diniz Fonseca
2010-04-01
Full Text Available The advent of acid etching, introduced by Buonocore in 1955, brought the possibility of bonding between the bracket base and enamel, contributing to more esthetic and conservative orthodontics. This direct bracket bonding technique has brought benefits such as reduced cost and time in performing the treatment, as well as making it easier to perform oral hygiene. The aim of this study was to conduct a survey of published studies on orthodontic bracket bonding to dental enamel. It was verified that resin composites and glass ionomer are the most studied and researched materials for this purpose. Resin-modified glass ionomer, with its biocompatibility, capacity of releasing fluoride and no need for acid etching on the tooth structure, has become increasingly popular among dentists. However, due to the esthetic and mechanical properties of light polymerizable resin composite, it continues to be one of the adhesives of choice in the bracket bonding technique and its use is widely disseminated.
Fast Exact Euclidean Distance (FEED) Transformation
Schouten, Theo; Kittler, J.; van den Broek, Egon; Petrou, M.; Nixon, M.
2004-01-01
Fast Exact Euclidean Distance (FEED) transformation is introduced, starting from the inverse of the distance transformation. The prohibitive computational cost of a naive implementation of traditional Euclidean Distance Transformation, is tackled by three operations: restriction of both the number
Method to improve commercial bonded SOI material
Maris, Humphrey John; Sadana, Devendra Kumar
2000-07-11
A method of improving the bonding characteristics of a previously bonded silicon on insulator (SOI) structure is provided. The improvement in the bonding characteristics is achieved in the present invention by, optionally, forming an oxide cap layer on the silicon surface of the bonded SOI structure and then annealing either the uncapped or oxide capped structure in a slightly oxidizing ambient at temperatures greater than 1200.degree. C. Also provided herein is a method for detecting the bonding characteristics of previously bonded SOI structures. According to this aspect of the present invention, a pico-second laser pulse technique is employed to determine the bonding imperfections of previously bonded SOI structures.
Lee, Chiho; Son, Hyewon; Park, Sungnam
2015-07-21
Two-dimensional infrared (2DIR) spectroscopy, which has been proven to be an excellent experimental method for studying thermally-driven chemical processes, was successfully used to investigate the acid dissociation equilibrium of HN3 in methanol (CH3OH) and dimethyl sulfoxide (DMSO) for the first time. Our 2DIR experimental results indicate that the acid-base equilibrium occurs on picosecond timescales in CH3OH but that it occurs on much longer timescales in DMSO. Our results imply that the different timescales of the acid-base equilibrium originate from different proton transfer mechanisms between the acidic (HN3) and basic (N3(-)) species in CH3OH and DMSO. In CH3OH, the acid-base equilibrium is assisted by the surrounding CH3OH molecules which can directly donate H(+) to N3(-) and accept H(+) from HN3 and the proton migrates through the hydrogen-bonded chain of CH3OH. On the other hand, the acid-base equilibrium in DMSO occurs through the mutual diffusion of HN3 and N3(-) or direct proton transfer. Our 2DIR experimental results corroborate different proton transfer mechanisms in the acid-base equilibrium in protic (CH3OH) and aprotic (DMSO) solvents.
Damos, Petros
2015-08-01
In this study, we use entropy related mixing rate modules to measure the effects of temperature on insect population stability and demographic breakdown. The uncertainty in the age of the mother of a randomly chosen newborn, and how it is moved after a finite act of time steps, is modeled using a stochastic transformation of the Leslie matrix. Age classes are represented as a cycle graph and its transitions towards the stable age distribution are brought forth as an exact Markov chain. The dynamics of divergence, from a non equilibrium state towards equilibrium, are evaluated using the Kolmogorov-Sinai entropy. Moreover, Kullback-Leibler distance is applied as information-theoretic measure to estimate exact mixing times of age transitions probabilities towards equilibrium. Using empirically data, we show that on the initial conditions and simulated projection's trough time, that population entropy can effectively be applied to detect demographic variability towards equilibrium under different temperature conditions. Changes in entropy are correlated with the fluctuations of the insect population decay rates (i.e. demographic stability towards equilibrium). Moreover, shorter mixing times are directly linked to lower entropy rates and vice versa. This may be linked to the properties of the insect model system, which in contrast to warm blooded animals has the ability to greatly change its metabolic and demographic rates. Moreover, population entropy and the related distance measures that are applied, provide a means to measure these rates. The current results and model projections provide clear biological evidence why dynamic population entropy may be useful to measure population stability. Copyright © 2015 Elsevier Inc. All rights reserved.
Equilibrium and off-equilibrium trap-size scaling in one-dimensional ultracold bosonic gases
International Nuclear Information System (INIS)
Campostrini, Massimo; Vicari, Ettore
2010-01-01
We study some aspects of equilibrium and off-equilibrium quantum dynamics of dilute bosonic gases in the presence of a trapping potential. We consider systems with a fixed number of particles and study their scaling behavior with increasing the trap size. We focus on one-dimensional bosonic systems, such as gases described by the Lieb-Liniger model and its Tonks-Girardeau limit of impenetrable bosons, and gases constrained in optical lattices as described by the Bose-Hubbard model. We study their quantum (zero-temperature) behavior at equilibrium and off equilibrium during the unitary time evolution arising from changes of the trapping potential, which may be instantaneous or described by a power-law time dependence, starting from the equilibrium ground state for an initial trap size. Renormalization-group scaling arguments and analytical and numerical calculations show that the trap-size dependence of the equilibrium and off-equilibrium dynamics can be cast in the form of a trap-size scaling in the low-density regime, characterized by universal power laws of the trap size, in dilute gases with repulsive contact interactions and lattice systems described by the Bose-Hubbard model. The scaling functions corresponding to several physically interesting observables are computed. Our results are of experimental relevance for systems of cold atomic gases trapped by tunable confining potentials.
Equilibrium-constant expressions for aqueous plutonium
International Nuclear Information System (INIS)
Silver, G.L.
2010-01-01
Equilibrium-constant expressions for Pu disproportionation reactions traditionally contain three or four terms representing the concentrations or fractions of the oxidation states. The expressions can be rewritten so that one of the oxidation states is replaced by a term containing the oxidation number of the plutonium. Experimental estimations of the numerical values of the constants can then be checked in several ways. (author)
On the Existence of Evolutionary Learning Equilibriums
Directory of Open Access Journals (Sweden)
Masudul Alam Choudhury
2011-12-01
Full Text Available The usual kinds of Fixed-Point Theorems formalized on the existence of competitive equilibrium that explain much of economic theory at the core of economics can operate only on bounded and closed sets with convex mappings. But these conditions are hardly true of the real world of economic and financial complexities and perturbations. The category of learning sets explained by continuous fields of interactive, integrative and evolutionary behaviour caused by dynamic preferences at the individual and institutional and social levels cannot maintain the assumption of closed, bounded and convex sets. Thus learning sets and multi-system inter-temporal relations explained by pervasive complementarities and participation between variables and entities, and evolution by learning, have evolutionary equilibriums. Such a study requires a new methodological approach. This paper formalizes such a methodology for evolutionary equilibriums in learning spaces. It briefly points out the universality of learning equilibriums in all mathematical structures. For a particular case though, the inter-systemic interdependence between sustainable development and ethics and economics in the specific understanding of learning domain is pointed out.
Conditions for the Existence of Market Equilibrium.
Bryant, William D. A.
1997-01-01
Maintains that most graduate-level economics textbooks rarely mention the need for consumers to be above their minimum wealth position as a condition for market equilibrium. Argues that this omission leaves students with a mistaken sense about the range of circumstances under which market equilibria can exist. (MJP)
General Equilibrium Models: Improving the Microeconomics Classroom
Nicholson, Walter; Westhoff, Frank
2009-01-01
General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the…
Equilibrium thermodynamics in modified gravitational theories
International Nuclear Information System (INIS)
Bamba, Kazuharu; Geng, C.-Q.; Tsujikawa, Shinji
2010-01-01
We show that it is possible to obtain a picture of equilibrium thermodynamics on the apparent horizon in the expanding cosmological background for a wide class of modified gravity theories with the Lagrangian density f(R,φ,X), where R is the Ricci scalar and X is the kinetic energy of a scalar field φ. This comes from a suitable definition of an energy-momentum tensor of the 'dark' component that respects to a local energy conservation in the Jordan frame. In this framework the horizon entropy S corresponding to equilibrium thermodynamics is equal to a quarter of the horizon area A in units of gravitational constant G, as in Einstein gravity. For a flat cosmological background with a decreasing Hubble parameter, S globally increases with time, as it happens for viable f(R) inflation and dark energy models. We also show that the equilibrium description in terms of the horizon entropy S is convenient because it takes into account the contribution of both the horizon entropy S in non-equilibrium thermodynamics and an entropy production term.
Non-equilibrium thermodynamics and physical kinetics
Bikkin, Halid
2014-01-01
This graduate textbook covers contemporary directions of non-equilibrium statistical mechanics as well as classical methods of kinetics. With one of the main propositions being to avoid terms such as "obviously" and "it is easy to show", this treatise is an easy-to-read introduction into this traditional, yet vibrant field.
Pre-equilibrium complex particle emission
International Nuclear Information System (INIS)
Bĕták, E.
2002-01-01
Semi-classical (phenomenological) pre-equilibrium emission of clusters of nucleons (complex particles) such as deuterons, tritons, helions and α particles from reactions induced by light projectiles (nucleons to α’s) is addressed. The main attention is given to the hard components in the emission energetic spectra, which play an increasing role at incident energies above 20 MeV, and are currently attributed to a presence of some kind of pre-equilibrium processes. In addition, the mechanisms of cluster reactions show special features such as the competition between pickup and knockout processes and the contributions of several successive steps in the reaction. The main frame used here to illustrate the processes and interplays of the competing mechanisms of pre-equilibrium cluster formation and emission, namely the coalescence, pick-up and knock-out, is the pre-equilibrium exciton model. It obviously contains the process of clusterization itself as its organic part. The most important case of complex particles with the largest amount of experimental data is that of alpha emission, which therefore naturally attracts most of the attention and where the widest range of possible mechanisms is available on the market. The loosely bound ejectiles, on the other side, are usually not able to demonstrate all features of the whole spectrum of contributing mechanisms, but they are nevertheless an important link between the nucleon emission and the cluster one.
Economic Equilibrium and Soviet Economic Reform
Herbert E. Scarf
1991-01-01
The paper, prepared for a Roundtable on Major Economic Problems in the U.S. and the U.S.S.R., discusses some aspects of price theory ñ in particular, the theory of general equilibrium -ñ which may offer some theoretical insights about the economic problems to be encountered during the transition from Socialism to private markets in the Soviet Union.
Tenancy and Soil Conservation in Market Equilibrium
Lichtenberg, Erik
2001-01-01
A theoretical analysis of equilibrium contracts between risk neutral landlords and tenants when tenants' soil exploitation is non-contractible indicates that landlords will overinvest in conservation structures. An empirical model using farm-level data provides evidence that investment in contractible soil conservation measures is greater on rental land.
Climate change as (dis)equilibrium
DEFF Research Database (Denmark)
Tejsner, Pelle; Veldhuis, Djuke
2018-01-01
Despite the evident challenges posed by arctic environments past and present, and despite the widespread acknowledgement that human population histories in the Arctic have historically been quite dynamic, it is often assumed that traditional pre-colonial populations were in perfect equilibrium wi...
Stability and equilibrium in quantum statistical mechanics
International Nuclear Information System (INIS)
Kastler, Daniel.
1975-01-01
A derivation of the Gibbs Ansatz, base of the equilibrium statistical mechanics is provided from a stability requirements, in technical connection with the harmonic analysis of non-commutative dynamical systems. By the same token a relation is established between stability and the positivity of Hamiltonian in the zero temperature case [fr
Equilibrium capillary forces with atomic force microscopy
Sprakel, J.H.B.; Besseling, N.A.M.; Leermakers, F.A.M.; Cohen Stuart, M.A.
2007-01-01
We present measurements of equilibrium forces resulting from capillary condensation. The results give access to the ultralow interfacial tensions between the capillary bridge and the coexisting bulk phase. We demonstrate this with solutions of associative polymers and an aqueous mixture of gelatin
A Progression of Static Equilibrium Laboratory Exercises
Kutzner, Mickey; Kutzner, Andrew
2013-01-01
Although simple architectural structures like bridges, catwalks, cantilevers, and Stonehenge have been integral in human societies for millennia, as have levers and other simple tools, modern students of introductory physics continue to grapple with Newton's conditions for static equilibrium. As formulated in typical introductory physics…
Can elliptical galaxies be equilibrium systems
Energy Technology Data Exchange (ETDEWEB)
Caimmi, R [Padua Univ. (Italy). Ist. di Astronomia
1980-08-01
This paper deals with the question of whether elliptical galaxies can be considered as equilibrium systems (i.e., the gravitational + centrifugal potential is constant on the external surface). We find that equilibrium models such as Emden-Chandrasekhar polytropes and Roche polytropes with n = 0 can account for the main part of observations relative to the ratio of maximum rotational velocity to central velocity dispersion in elliptical systems. More complex models involving, for example, massive halos could lead to a more complete agreement. Models that are a good fit to the observed data are characterized by an inner component (where most of the mass is concentrated) and a low-density outer component. A comparison is performed between some theoretical density distributions and the density distribution observed by Young et al. (1978) in NGC 4473, but a number of limitations must be adopted. Alternative models, such as triaxial oblate non-equilibrium configurations with coaxial shells, involve a number of problems which are briefly discussed. We conclude that spheroidal oblate models describing elliptical galaxies cannot be ruled out until new analyses relative to more refined theoretical equilibrium models (involving, for example, massive halos) and more detailed observations are performed.
Equilibrium Selection in Games with Macroeconomic Complementarities
Kaarboe, Oddvar M.; Tieman, Alexander F.
1999-01-01
We apply the stochastic evolutionary approach of equilibrium selection tomacroeconomic models in which a complementarity at the macro level ispresent. These models often exhibit multiple Pareto-ranked Nash equilibria,and the best response-correspondence of an individual increases with ameasure of
Static Equilibrium Configurations of Charged Metallic Bodies ...
African Journals Online (AJOL)
In this paper we developed a simple numerical scheme to determine the static equilibrium configuration of charged metallic bodies by minimizing the potential energy function. The method developed has some advantages; it combines the general theory and the physical meanings nested in the mathematical model and this ...
Line radiative transfer and statistical equilibrium
Kamp, Inga
Atomic and molecular line emission from protoplanetary disks contains key information of their detailed physical and chemical structures. To unravel those structures, we need to understand line radiative transfer in dusty media and the statistical equilibrium, especially of molecules. I describe
Plasma equilibrium and stability in stellarators
International Nuclear Information System (INIS)
Pustovitov, V.D.; Shafranov, V.D.
1987-01-01
A review of theoretical methods of investigating plasma equilibrium and stability in stellarators is given. Principles forming the basis of toroidal plasma equilibrium and its stabilization, and the main results of analytical theory and numerical calculations are presented. Configurations with spiral symmetry and usual stellarators with plane axis and spiral fields are considered in detail. Derivation of scalar two-dimensional equations, describing equilibrium in these systems is given. These equations were used to obtain one-dimensional equations for displacement and ellipticity of magnetic surfaces. The model of weak-elliptic displaced surfaces was used to consider the evolution of plasma equilibrium in stellarators after elevation of its pressure: change of profile of rotational transformation after change of plasma pressure, current generation during its fast heating and its successive damping due to finite plasma conductivity were described. The derivation of equations of small oscillations in the form, suitable for local disturbance investigation is presented. These equations were used to obtain Mercier criteria and ballon model equations. General sufficient conditions of plasma stability in systems with magnetic confinement were derived
Estimating Equilibrium Effects of Job Search Assistance
DEFF Research Database (Denmark)
Gautier, Pieter; Muller, Paul; van der Klaauw, Bas
that the nonparticipants in the experiment regions find jobs slower after the introduction of the activation program (relative to workers in other regions). We then estimate an equilibrium search model. This model shows that a large scale role out of the activation program decreases welfare, while a standard partial...... microeconometric cost-benefit analysis would conclude the opposite....
Calculating Shocks In Flows At Chemical Equilibrium
Eberhardt, Scott; Palmer, Grant
1988-01-01
Boundary conditions prove critical. Conference paper describes algorithm for calculation of shocks in hypersonic flows of gases at chemical equilibrium. Although algorithm represents intermediate stage in development of reliable, accurate computer code for two-dimensional flow, research leading up to it contributes to understanding of what is needed to complete task.
Teaching Chemical Equilibrium with the Jigsaw Technique
Doymus, Kemal
2008-01-01
This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students' understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes…
Evolution and non-equilibrium physics
DEFF Research Database (Denmark)
Becker, Nikolaj; Sibani, Paolo
2014-01-01
We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...
Hirshfeld atom refinement for modelling strong hydrogen bonds.
Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon
2014-09-01
High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.
Steiner Distance in Graphs--A Survey
Mao, Yaping
2017-01-01
For a connected graph $G$ of order at least $2$ and $S\\subseteq V(G)$, the \\emph{Steiner distance} $d_G(S)$ among the vertices of $S$ is the minimum size among all connected subgraphs whose vertex sets contain $S$. In this paper, we summarize the known results on the Steiner distance parameters, including Steiner distance, Steiner diameter, Steiner center, Steiner median, Steiner interval, Steiner distance hereditary graph, Steiner distance stable graph, average Steiner distance, and Steiner ...
Partial distance correlation with methods for dissimilarities
Székely, Gábor J.; Rizzo, Maria L.
2014-01-01
Distance covariance and distance correlation are scalar coefficients that characterize independence of random vectors in arbitrary dimension. Properties, extensions, and applications of distance correlation have been discussed in the recent literature, but the problem of defining the partial distance correlation has remained an open question of considerable interest. The problem of partial distance correlation is more complex than partial correlation partly because the squared distance covari...
Directory of Open Access Journals (Sweden)
Mashallah Khanehmasjedi
2017-02-01
Conclusion: Application of Single Bond and Assure bonding agents resulted in adequate bond strength of brackets to tooth structures. Contamination with saliva significantly decreased the bond strength of Assure bonding agent compared with dry conditions.
Proposal of new bonding technique 'Instantaneous Liquid Phase (ILP) Bonding'
International Nuclear Information System (INIS)
Zhang, Yue-Chang; Nakagawa, Hiroji; Matsuda, Fukuhisa.
1987-01-01
A new bonding technique named ''Instantaneous Liquid Phase (ILP) bonding'' suitable mainly for welding dissimilar materials was proposed by which instantaneous melting of one or two of the faying surfaces is utilized. The processes of ILP bonding are mainly consisted of three stages, namely the first stage forming thin liquid layer by rapid heating, the second stage joining both specimens by thin liquid layer, and the third stage cooling the specimens rapidly to avoid the formation of brittle layer. The welding temperatures of the specimens to be welded in ILP bonding are generally differentiated from each other. ILP bonding was applied for a variety of combinations of dissimilar materials of aluminum, aluminum alloys, titanium, titanium alloy, carbon steel, austenitic stainless steel, copper and tungsten, and for similar materials of stainless steel and nickel-base alloy. There were no microvoids in these welding joints, and the formation of brittle layer at the bonding interface was suppressed. The welded joints of Al + Ti, Cu + carbon steel and Cu + austenitic stainless steel showed the fracture in base metal having lower tensile strength. Further, the welded joints of Al + carbon steel, Al alloy + Ti, Al alloy + carbon steel or + austenitic stainless steel, Ti + carbon steel or + austenitic stainless steel showed better tensile properties in the comparison with diffusion welding. Furthermore, ILP bonding was available for welding same materials susceptible to hot cracking. Because of the existence of liquid layer, the welding pressure required was extremely low, and preparation of faying surface by simple tooling or polishing by no.80 emery paper was enough. The change in specimen length before and after welding was relatively little, only depending on the thickness of liquid layer. The welding time was very short, and thus high welding efficiency was obtained. (author)
Shear Bond Strength of Orthodontic Brackets Bonded to Zirconium Crowns.
Mehmeti, Blerim; Azizi, Bleron; Kelmendi, Jeta; Iljazi-Shahiqi, Donika; Alar, Željko; Anić-Milošević, Sandra
2017-06-01
An increasing demand for esthetic restorations has resulted in an increased use of all-ceramic restorations, such as zirconium. However, one of the challenges the orthodontist must be willing to face is how to increase bond strength between the brackets and various ceramic restorations.Bond strength can beaffected bybracket type, by the material that bracketsaremade of, and their base surface design or retention mode. : A im: of this study was to perform a comparative analysis of the shear bond strength (SBS) of metallic and ceramic orthodontic brackets bonded to all-zirconium ceramic surfaces used for prosthetic restorations, and also to evaluate the fracture mode of these two types of orthodontic brackets. Twenty samples/semi-crowns of all-zirconium ceramic, on which orthodontic brackets were bonded, 10 metallic and 10 ceramic polycrystalline brackets, were prepared for this research. SBS has been testedby Universal Testing Machine, with a load applied using a knife edged rod moving at a fixed rate of 1 mm/min, until failure occurred. The force required to debond the brackets was recorded in Newton, then SBS was calculated to MPa. In addition, the samples were analyzed using a digital camera magnifier to determine Adhesive Remnant Index (ARI). Statistical data were processed using t-test, and the level of significance was set at α = 0.05. Higher shear bond strength values were observed in metallic brackets bonded to zirconium crowns compared tothoseof ceramic brackets, with a significant difference. During the test, two of the ceramic brackets were partially or totally damaged. Metallic brackets, compared to ceramic polycrystalline brackets, seemed tocreate stronger adhesion with all-zirconium surfaces due to their better retention mode. Also, ceramic brackets showed higher fragility during debonding.
Gesture Interaction at a Distance
Fikkert, F.W.
2010-01-01
The aim of this work is to explore, from a perspective of human behavior, which gestures are suited to control large display surfaces from a short distance away; why that is so; and, equally important, how such an interface can be made a reality. A well-known example of the type of interface that is
Communication Barriers in Distance Education
Isman, Aytekin; Dabaj, Fahme; Altinay, Fahriye; Altinay, Zehra
2003-01-01
Communication is a key concept as being the major tool for people in order to satisfy their needs. It is an activity which refers as process and effective communication requires qualified communication with the elimination of communication barriers. As it is known, distance education is a new trend by following contemporary facilities and tools…
Distance Education Technologies in Asia
International Development Research Centre (IDRC) Digital Library (Canada)
17 schools ... Mobile Technology in Non-formal Distance Education 192 ..... in the design and application of e-learning strategies, the need to standardise and ...... library providing access to over 20,000 journals and thesis databases, and 6,000 ...
Video surveillance using distance maps
Schouten, Theo E.; Kuppens, Harco C.; van den Broek, Egon L.
2006-02-01
Human vigilance is limited; hence, automatic motion and distance detection is one of the central issues in video surveillance. Hereby, many aspects are of importance, this paper specially addresses: efficiency, achieving real-time performance, accuracy, and robustness against various noise factors. To obtain fully controlled test environments, an artificial development center for robot navigation is introduced in which several parameters can be set (e.g., number of objects, trajectories and type and amount of noise). In the videos, for each following frame, movement of stationary objects is detected and pixels of moving objects are located from which moving objects are identified in a robust way. An Exact Euclidean Distance Map (E2DM) is utilized to determine accurately the distances between moving and stationary objects. Together with the determined distances between moving objects and the detected movement of stationary objects, this provides the input for detecting unwanted situations in the scene. Further, each intelligent object (e.g., a robot), is provided with its E2DM, allowing the object to plan its course of action. Timing results are specified for each program block of the processing chain for 20 different setups. So, the current paper presents extensive, experimentally controlled research on real-time, accurate, and robust motion detection for video surveillance, using E2DMs, which makes it a unique approach.
Interaction in Distance Nursing Education
Boz Yuksekdag, Belgin
2012-01-01
The purpose of this study is to determine psychiatry nurses' attitudes toward the interactions in distance nursing education, and also scrunize their attitudes based on demographics and computer/Internet usage. The comparative relational scanning model is the method of this study. The research data were collected through "The Scale of Attitudes of…
Student Monitoring in Distance Education.
Holt, Peter; And Others
1987-01-01
Reviews a computerized monitoring system for distance education students at Athabasca University designed to solve the problems of tracking student performance. A pilot project for tutors is described which includes an electronic conferencing system and electronic mail, and an evaluation currently in progress is briefly discussed. (LRW)
Equilibrium Bird Species Diversity in Atlantic Islands.
Valente, Luis; Illera, Juan Carlos; Havenstein, Katja; Pallien, Tamara; Etienne, Rampal S; Tiedemann, Ralph
2017-06-05
Half a century ago, MacArthur and Wilson proposed that the number of species on islands tends toward a dynamic equilibrium diversity around which species richness fluctuates [1]. The current prevailing view in island biogeography accepts the fundamentals of MacArthur and Wilson's theory [2] but questions whether their prediction of equilibrium can be fulfilled over evolutionary timescales, given the unpredictable and ever-changing nature of island geological and biotic features [3-7]. Here we conduct a complete molecular phylogenetic survey of the terrestrial bird species from four oceanic archipelagos that make up the diverse Macaronesian bioregion-the Azores, the Canary Islands, Cape Verde, and Madeira [8, 9]. We estimate the times at which birds colonized and speciated in the four archipelagos, including many previously unsampled endemic and non-endemic taxa and their closest continental relatives. We develop and fit a new multi-archipelago dynamic stochastic model to these data, explicitly incorporating information from 91 taxa, both extant and extinct. Remarkably, we find that all four archipelagos have independently achieved and maintained a dynamic equilibrium over millions of years. Biogeographical rates are homogeneous across archipelagos, except for the Canary Islands, which exhibit higher speciation and colonization. Our finding that the avian communities of the four Macaronesian archipelagos display an equilibrium diversity pattern indicates that a diversity plateau may be rapidly achieved on islands where rates of in situ radiation are low and extinction is high. This study reveals that equilibrium processes may be more prevalent than recently proposed, supporting MacArthur and Wilson's 50-year-old theory. Copyright © 2017 Elsevier Ltd. All rights reserved.
Standardization of 125 Sb in equilibrium non-equilibrium situations with 125m Te
International Nuclear Information System (INIS)
Rodriguez Barquero, L.; Jimenez de Mingo, A.; Grau Carles, A.
1997-10-01
We study the stability of ''125 Sb in the following scintillators: HiSafeIII''TM, Insta- Gel reg s ign Plus and '' Ultima-Gold'' TM. Since ''125 m Te requires more than one year to reach the secular equilibrium with ''125 Sb, we cannot be sure, for a given sample, whether equilibrium is reached or not. In this report we present a new procedure that permits one calibrate mixtures of ''125 Sb+''125 m Te out of the equilibrium. The steps required for the radiochemical separation of the components are indicated. Finally, we study the evolution of counting rate when column yields are less than 100%. (Author)
Two-proton correlation functions for equilibrium and non-equilibrium emission
International Nuclear Information System (INIS)
Gong, W.G.; Gelbke, C.K.; Carlin, N.; De Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.; Tsang, M.B.; Xu, H.M.; Michigan State Univ., East Lansing; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.; Indiana Univ., Bloomington; Indiana Univ., Bloomington; Pratt, S.
1990-01-01
Two-proton correlation functions are compared for equilibrium and non-equilibrium emission processes investigated, respectively, in ''reverse kinematics'' for the reactions 129 Xe+ 27 Al and 129 Xe+ 122 Sn at E/A=31 MeV and in ''forward kinematics'' for the reaction 14 N+ 197 Au at E/A=75 MeV. Observed differences in the shapes of the correlation functions are understood in terms of the different time scales for equilibrium and preequilibrium emission. Transverse and longitudinal correlation functions are very similar. (orig.)
Equilibrium and out-of-equilibrium thermodynamics in supercooled liquids and glasses
International Nuclear Information System (INIS)
Mossa, S; Nave, E La; Tartaglia, P; Sciortino, F
2003-01-01
We review the inherent structure thermodynamical formalism and the formulation of an equation of state (EOS) for liquids in equilibrium based on the (volume) derivatives of the statistical properties of the potential energy surface. We also show that, under the hypothesis that during ageing the system explores states associated with equilibrium configurations, it is possible to generalize the proposed EOS to out-of-equilibrium (OOE) conditions. The proposed formulation is based on the introduction of one additional parameter which, in the chosen thermodynamic formalism, can be chosen as the local minimum where the slowly relaxing OOE liquid is trapped
Analysis of surface bond lengths reported for chemisorption on metal surfaces
Mitchell, K. A. R.
1985-01-01
A review is given of bond length information available from the techniques of surface crystallography (particularly with LEED, SEXAFS and photoelectron diffraction) for chemisorption on well-defined surfaces of metals (M). For adsorbed main-group atoms (X), measured X-M interatomic distances for 38 combinations of X and M have been assessed with a bond order-bond length relation in combination with the Schomaker-Stevenson approach for determining single-bond lengths. When the surface bond orders are fixed primarily by the valency of X, this approach appears to provide a simple framework for predicing X-M surface bond lengths. Further, in cases where agreement has been reached from different surface crystallographic techniques, this framework has the potential for assessing refinements to the surface bonding model (e.g. in determining the roles of the effective surface valency of M, and of coordinate bonding and supplementary π bonding between X and M). Preliminary comparisons of structural data are also given for molecular adsorption (CO and ethylidyne) and for the chemisorption of other metal atoms.
Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide
Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G.
2013-03-01
Formation of nanocrystalline and monodisperse TiO2 from a water soluble and stable precursor, ammonium oxo-lactato-titanate, (NH4)8Ti4O4(Lactate)8.4H2O, often referred to as TiBALDH or TALH, is demonstrated to be due to a coordination equilibrium. This compound, individual in the solid state, exists in solution in equilibrium with ammonium tris-lactato-titanate, (NH4)2Ti(Lactate)3 and uniform crystalline TiO2 nanoparticles (anatase) stabilized by surface-capping with lactate ligands. This equilibrium can be shifted towards nano-TiO2via application of a less polar solvent like methanol or ethanol, dilution of the solution, introduction of salts or raising the temperature, and reverted on addition of polar and strongly solvating media such as dimethyl sulfoxide, according to NMR. Aggregation and precipitation of the particles were followed by DLS and could be achieved by a decrease in their surface charge by adsorption of strongly hydrogen-bonding cations, e.g. in solutions of ammonia, ethanolamine or amino acid arginine or by addition of ethanol. The observed equilibrium may be involved in formation of nano-titania on the surface of plant roots exerting chelating organic carboxylate ligands and thus potentially influencing plant interactions.Formation of nanocrystalline and monodisperse TiO2 from a water soluble and stable precursor, ammonium oxo-lactato-titanate, (NH4)8Ti4O4(Lactate)8.4H2O, often referred to as TiBALDH or TALH, is demonstrated to be due to a coordination equilibrium. This compound, individual in the solid state, exists in solution in equilibrium with ammonium tris-lactato-titanate, (NH4)2Ti(Lactate)3 and uniform crystalline TiO2 nanoparticles (anatase) stabilized by surface-capping with lactate ligands. This equilibrium can be shifted towards nano-TiO2via application of a less polar solvent like methanol or ethanol, dilution of the solution, introduction of salts or raising the temperature, and reverted on addition of polar and strongly solvating
Voltage-assisted polymer wafer bonding
International Nuclear Information System (INIS)
Varsanik, J S; Bernstein, J J
2012-01-01
Polymer wafer bonding is a widely used process for fabrication of microfluidic devices. However, best practices for polymer bonds do not achieve sufficient bond strength for many applications. By applying a voltage to a polymer bond in a process called voltage-assisted bonding, bond strength is shown to improve dramatically for two polymers (Cytop™ and poly(methyl methacrylate)). Several experiments were performed to provide a starting point for further exploration of this technique. An optimal voltage range is experimentally observed with a reduction in bonding strength at higher voltages. Additionally, voltage-assisted bonding is shown to reduce void diameter due to bond defects. An electrostatic force model is proposed to explain the improved bond characteristics. This process can be used to improve bond strength for most polymers. (paper)
Optimising hydrogen bonding in solid wood
DEFF Research Database (Denmark)
Engelund, Emil Tang
2009-01-01
The chemical bonds of wood are both covalent bonds within the wood polymers and hydrogen bonds within and between the polymers. Both types of bonds are responsible for the coherence, strength and stiffness of the material. The hydrogen bonds are more easily modified by changes in load, moisture...... and temperature distorting the internal bonding state. A problem arises when studying hydrogen bonding in wood since matched wood specimens of the same species will have very different internal bonding states. Thus, possible changes in the bonding state due to some applied treatment such as conditioning...... maintaining 100 % moisture content of the wood. The hypothesis was that this would enable a fast stress relaxation as a result of reorganization of bonds, since moisture plasticizes the material and temperature promotes faster kinetics. Hereby, all past bond distortions caused by various moisture, temperature...
Modeling equilibrium adsorption of organic micropollutants onto activated carbon
De Ridder, David J.
2010-05-01
Solute hydrophobicity, polarizability, aromaticity and the presence of H-bond donor/acceptor groups have been identified as important solute properties that affect the adsorption on activated carbon. However, the adsorption mechanisms related to these properties occur in parallel, and their respective dominance depends on the solute properties as well as carbon characteristics. In this paper, a model based on multivariate linear regression is described that was developed to predict equilibrium carbon loading on a specific activated carbon (F400) for solutes reflecting a wide range of solute properties. In order to improve prediction accuracy, groups (bins) of solutes with similar solute properties were defined and solute removals were predicted for each bin separately. With these individual linear models, coefficients of determination (R2) values ranging from 0.61 to 0.84 were obtained. With the mechanistic approach used in developing this predictive model, a strong relation with adsorption mechanisms is established, improving the interpretation and, ultimately, acceptance of the model. © 2010 Elsevier Ltd.
A Streaming Distance Transform Algorithm for Neighborhood-Sequence Distances
Directory of Open Access Journals (Sweden)
Nicolas Normand
2014-09-01
Full Text Available We describe an algorithm that computes a “translated” 2D Neighborhood-Sequence Distance Transform (DT using a look up table approach. It requires a single raster scan of the input image and produces one line of output for every line of input. The neighborhood sequence is specified either by providing one period of some integer periodic sequence or by providing the rate of appearance of neighborhoods. The full algorithm optionally derives the regular (centered DT from the “translated” DT, providing the result image on-the-ﬂy, with a minimal delay, before the input image is fully processed. Its efficiency can benefit all applications that use neighborhood- sequence distances, particularly when pipelined processing architectures are involved, or when the size of objects in the source image is limited.
On the physical origin of blue-shifted hydrogen bonds.
Li, Xiaosong; Liu, Lei; Schlegel, H Bernhard
2002-08-14
For blue-shifted hydrogen-bonded systems, the hydrogen stretching frequency increases rather than decreases on complexation. In computations at various levels of theory, the blue-shift in the archetypical system, F(3)C-H.FH, is reproduced at the Hartree-Fock level, indicating that electron correlation is not the primary cause. Calculations also demonstrate that a blue-shift does not require either a carbon center or the absence of a lone pair on the proton donor, because F(3)Si-H.OH(2), F(2)NH.FH, F(2)PH.NH(3), and F(2)PH.OH(2) have substantial blue-shifts. Orbital interactions are shown to lengthen the X-H bond and lower its vibrational frequency, and thus cannot be the source of the blue-shift. In the F(3)CH.FH system, the charge redistribution in F(3)CH can be reproduced very well by replacing the FH with a simple dipole, which suggests that the interactions are predominantly electrostatic. When modeled with a point charge for the proton acceptor, attractive electrostatic interactions elongate the F(3)C-H, while repulsive interactions shorten it. At the equilibrium geometry of a hydrogen-bonded complex, the electrostatic attraction between the dipole moments of the proton donor and proton acceptor must be balanced by the Pauli repulsion between the two fragments. In the absence of orbital interactions that cause bond elongation, this repulsive interaction leads to compression of the X-H bond and a blue-shift in its vibrational frequency.
International Nuclear Information System (INIS)
Matsumoto, Atsushi
2004-01-01
The equilibrium state at very low temperature and phase state at 0 K between the particle 1 and particle 2 and the particle 12, which particle 1 bond with particle 2, of infinite uniform system was investigated. Boson and fermion are thought as particle and three kinds of reactions are considered. On the case of boson + boson ? boson, the system is all molecules or atoms when ΔE≠0 and T=0, and the density is not determined under Tc when ΔE=0. On the case of boson + fermion ? fermion, molecules and atoms are able to exist together at T=0. On fermion + fermion ? boson, molecule is formed and condensed. The chemical equilibrium between particles and complex particles and three cases of equilibrium are explained. (S.Y.)
International Nuclear Information System (INIS)
Kustova, Elena V.; Kremer, Gilberto M.
2014-01-01
Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N 2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure
Energy Technology Data Exchange (ETDEWEB)
Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)
2014-12-05
Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.
Directory of Open Access Journals (Sweden)
Pessôa Filho P. A.
2004-01-01
Full Text Available Mixtures containing compounds that undergo hydrogen bonding show large deviations from ideal behavior. These deviations can be accounted for through chemical theory, according to which the formation of a hydrogen bond can be treated as a chemical reaction. This chemical equilibrium needs to be taken into account when applying stability criteria and carrying out phase equilibrium calculations. In this work, we illustrate the application of the stability criteria to establish the conditions under which a liquid-phase split may occur and the subsequent calculation of liquid-liquid equilibrium using a chemical-theory-modified Flory-Huggins equation to describe the non ideality of aqueous two-phase systems composed of poly(ethylene glycol and dextran. The model was found to be able to correlate ternary liquid-liquid diagrams reasonably well by simple adjustment of the polymer-polymer binary interaction parameter.
Information Geometry of Non-Equilibrium Processes in a Bistable System with a Cubic Damping
Directory of Open Access Journals (Sweden)
Rainer Hollerbach
2017-06-01
Full Text Available A probabilistic description is essential for understanding the dynamics of stochastic systems far from equilibrium, given uncertainty inherent in the systems. To compare different Probability Density Functions (PDFs, it is extremely useful to quantify the difference among different PDFs by assigning an appropriate metric to probability such that the distance increases with the difference between the two PDFs. This metric structure then provides a key link between stochastic systems and information geometry. For a non-equilibrium process, we define an infinitesimal distance at any time by comparing two PDFs at times infinitesimally apart and sum these distances in time. The total distance along the trajectory of the system quantifies the total number of different states that the system undergoes in time and is called the information length. By using this concept, we investigate the information geometry of non-equilibrium processes involved in disorder-order transitions between the critical and subcritical states in a bistable system. Specifically, we compute time-dependent PDFs, information length, the rate of change in information length, entropy change and Fisher information in disorder-to-order and order-to-disorder transitions and discuss similarities and disparities between the two transitions. In particular, we show that the total information length in order-to-disorder transition is much larger than that in disorder-to-order transition and elucidate the link to the drastically different evolution of entropy in both transitions. We also provide the comparison of the results with those in the case of the transition between the subcritical and supercritical states and discuss implications for fitness.
Zhou, Wenting; Yu, Hongwei
2014-09-01
We study the energy shift and the Casimir-Polder force of an atom out of thermal equilibrium near the surface of a dielectric substrate. We first generalize, adopting the local source hypothesis, the formalism proposed by Dalibard, Dupont-Roc, and Cohen-Tannoudji [J. Phys. (Paris) 43, 1617 (1982), 10.1051/jphys:0198200430110161700; J. Phys. (Paris) 45, 637 (1984), 10.1051/jphys:01984004504063700], which separates the contributions of thermal fluctuations and radiation reaction to the energy shift and allows a distinct treatment of atoms in the ground and excited states, to the case out of thermal equilibrium, and then we use the generalized formalism to calculate the energy shift and the Casimir-Polder force of an isotropically polarizable neutral atom. We identify the effects of the thermal fluctuations that originate from the substrate and the environment and discuss in detail how the Casimir-Polder force out of thermal equilibrium behaves in three different distance regions in both the low-temperature limit and the high-temperature limit for both the ground-state and excited-state atoms, with special attention devoted to the distinctive features as opposed to thermal equilibrium. In particular, we recover the distinctive behavior of the atom-wall force out of thermal equilibrium at large distances in the low-temperature limit recently found in a different theoretical framework, and furthermore we give a concrete region where this behavior holds.
Similar strength of the NH⋯O and NH⋯S hydrogen bonds in binary complexes
DEFF Research Database (Denmark)
Andersen, Cecilie Lindholm; Jensen, Christine S.; Mackeprang, Kasper
2014-01-01
to be extremely small with only 5 and 19 cm-1 for DMA-DME and DMA-DMS, respectively. The experimentally determined integrated absorbance has been combined with a calculated oscillator strength to determine an equilibrium constant of 2 × 10-3 and 4 × 10-3 for the DMA-DME and DMA-DMS complexes, respectively....... The topological analyses reveal that several hydrogen bond interactions are present in the complexes. The calculated binding energies, geometric parameters, observed redshifts, and topological analyses suggest that oxygen and sulfur are hydrogen bond acceptors of similar strength. (Graph Presented)....
Lu, Xiao-Xia; Tang, Hau-San; Ko, Chi-Chiu; Wong, Jenny Ka-Yan; Zhu, Nianyong; Yam, Vivian Wing-Wah
2005-03-28
The anion-assisted shift of trans-cis isomerization equilibrium of a palladium(II) complex containing acetanilide functionalities brought about by allosteric hydrogen bonding interactions has been established by UV/Vis, 1H NMR, 31P NMR and ESI-MS studies.
Non-equilibrium versus equilibrium emission of complex fragments from hot nuclei
International Nuclear Information System (INIS)
Viola, V.E.; Kwiatkowski, K.; Yennello, S.; Fields, D.E.
1989-01-01
The relative contributions of equilibrium and non-equilibrium mechanisms for intermediate-mass fragment emission have been deduced for Z=3-14 fragments formed in 3 He- and 14 N-induced reactions on Ag and Au targets. Complete inclusive excitation function measurements have been performed for 3 He projectiles from E/A=67 to 1,200 MeV and for 14 N from E/A=20 to 50 MeV. The data are consistent with a picture in which equilibrated emission is important at the lowest energies, but with increasing bombarding energy the cross sections are increasingly dominated by non-equilibrium processes. Non-equilibrium emission is also shown to be favored for light fragments relative to heavy fragments. These results are supported by coincidence studies of intermediate-mass fragments tagged by linear momentum transfer measurements
Non-Equilibrium Heavy Flavored Hadron Yields from Chemical Equilibrium Strangeness-Rich QGP
Kuznetsova, Inga; Rafelski, Johann
2008-01-01
The yields of heavy flavored hadrons emitted from strangeness-rich QGP are evaluated within chemical non-equilibrium statistical hadronization model, conserving strangeness, charm, and entropy yields at hadronization.
Computer simulations of equilibrium magnetization and microstructure in magnetic fluids
Rosa, A. P.; Abade, G. C.; Cunha, F. R.
2017-09-01
In this work, Monte Carlo and Brownian Dynamics simulations are developed to compute the equilibrium magnetization of a magnetic fluid under action of a homogeneous applied magnetic field. The particles are free of inertia and modeled as hard spheres with the same diameters. Two different periodic boundary conditions are implemented: the minimum image method and Ewald summation technique by replicating a finite number of particles throughout the suspension volume. A comparison of the equilibrium magnetization resulting from the minimum image approach and Ewald sums is performed by using Monte Carlo simulations. The Monte Carlo simulations with minimum image and lattice sums are used to investigate suspension microstructure by computing the important radial pair-distribution function go(r), which measures the probability density of finding a second particle at a distance r from a reference particle. This function provides relevant information on structure formation and its anisotropy through the suspension. The numerical results of go(r) are compared with theoretical predictions based on quite a different approach in the absence of the field and dipole-dipole interactions. A very good quantitative agreement is found for a particle volume fraction of 0.15, providing a validation of the present simulations. In general, the investigated suspensions are dominated by structures like dimmer and trimmer chains with trimmers having probability to form an order of magnitude lower than dimmers. Using Monte Carlo with lattice sums, the density distribution function g2(r) is also examined. Whenever this function is different from zero, it indicates structure-anisotropy in the suspension. The dependence of the equilibrium magnetization on the applied field, the magnetic particle volume fraction, and the magnitude of the dipole-dipole magnetic interactions for both boundary conditions are explored in this work. Results show that at dilute regimes and with moderate dipole
"Vibrational bonding": a new type of chemical bond is discovered.
Rhodes, Christopher J; Macrae, Roderick M
2015-01-01
A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging.
International Nuclear Information System (INIS)
Semrad, D.; Bergsmann, M.; Bauer, P.; Diez-Muino, R.; Arnau, S.A.
2000-01-01
A slow ion that impinges on a target will need to travel a certain distance within the target - called pre-equilibrium length - in order to reach charge equilibrium. In this transient region, projectiles may suffer energy loss different from the mean value. For gas targets, most of the relevant cross-sections and energy transfers can be determined separately by experiment. This allows one to relate these data to the stopping cross-section and to simulate the passage of ions through gas by Monte-Carlo techniques. For solid targets matter is worse, but a universal formalism how pre-equilibrium processes may be determined from transmission data is well documented by Sigmund [14-15]. In transmission experiments usually only these projectiles are analyzed that have missed the central region of the target atoms. It is, however, a matter of fact that projectiles passing closer to the nucleus are more likely to lose energy. In the case of thin targets these projectiles are deflected out of the detector acceptance leading to a reduction of the measured average energy loss. Hence, stopping data may be influenced by so-called impact parameter selection (IPS) according to the layout of the experiment. This IPS clearly acts also in the regime of pre-equilibrium stopping. Using Monte-Carlo simulation we studied to which extent in a typical transmission experiment energy loss is influenced by pre-equilibrium stopping and by IPS, respectively. For feasibility, instead of a solid target, we follow the trajectories through a dense gas target. We find that in an actual experiment with small detector opening angle the formalism to describe pre-equilibrium stopping has to include IPS
H2XP:OH2 Complexes: Hydrogen vs. Pnicogen Bonds
Directory of Open Access Journals (Sweden)
Ibon Alkorta
2016-02-01
Full Text Available A search of the Cambridge Structural Database (CSD was carried out for phosphine-water and arsine-water complexes in which water is either the proton donor in hydrogen-bonded complexes, or the electron-pair donor in pnicogen-bonded complexes. The range of experimental P-O distances in the phosphine complexes is consistent with the results of ab initio MP2/aug’-cc-pVTZ calculations carried out on complexes H2XP:OH2, for X = NC, F, Cl, CN, OH, CCH, H, and CH3. Only hydrogen-bonded complexes are found on the H2(CH3P:HOH and H3P:HOH potential surfaces, while only pnicogen-bonded complexes exist on H2(NCP:OH2, H2FP:OH2, H2(CNP:OH2, and H2(OHP:OH2 surfaces. Both hydrogen-bonded and pnicogen-bonded complexes are found on the H2ClP:OH2 and H2(CCHP:OH2 surfaces, with the pnicogen-bonded complexes more stable than the corresponding hydrogen-bonded complexes. The more electronegative substituents prefer to form pnicogen-bonded complexes, while the more electropositive substituents form hydrogen-bonded complexes. The H2XP:OH2 complexes are characterized in terms of their structures, binding energies, charge-transfer energies, and spin-spin coupling constants 2hJ(O-P, 1hJ(H-P, and 1J(O-H across hydrogen bonds, and 1pJ(P-O across pnicogen bonds.
Enamel Bond Strength of New Universal Adhesive Bonding Agents.
McLean, D E; Meyers, E J; Guillory, V L; Vandewalle, K S
2015-01-01
Universal bonding agents have been introduced for use as self-etch or etch-and-rinse adhesives depending on the dental substrate and clinician's preference. The purpose of this study was to evaluate the shear bond strength (SBS) of composite to enamel using universal adhesives compared to a self-etch adhesive when applied in self-etch and etch-and-rinse modes over time. Extracted human third molars were used to create 120 enamel specimens. The specimens were ground flat and randomly divided into three groups: two universal adhesives and one self-etch adhesive. Each group was then subdivided, with half the specimens bonded in self-etch mode and half in etch-and-rinse mode. The adhesives were applied as per manufacturers' instructions, and composite was bonded using a standardized mold and cured incrementally. The groups were further divided into two subgroups with 10 specimens each. One subgroup was stored for 24 hours and the second for six months in 37°C distilled water and tested in shear. Failure mode was also determined for each specimen. A three-way analysis of variance (ANOVA) found a significant difference between groups based on bonding agent (p0.05). Clearfil SE in etch-and-rinse and self-etch modes had more mixed fractures than either universal adhesive in either mode. Etching enamel significantly increased the SBS of composite to enamel. Clearfil SE had significantly greater bond strength to enamel than either universal adhesive, which were not significantly different from each other.
Thermalization and out-of-equilibrium dynamics in open quantum many-body systems
Energy Technology Data Exchange (ETDEWEB)
Buchhold, Michael
2015-06-30
modes, which are the consequence of exactly energy conserving dynamics and lead to an algebraic decay ∝τ{sup -η{sub D}} with η{sub D}=0.58. The presence of these dynamical slow modes is not contained in the equilibrium Matsubara formalism, while they emerge naturally in the non-equilibrium formalism developed in this thesis. In order to initialize a one-dimensional quantum fluid out of equilibrium, we consider an interaction quench in a model of interacting, dispersive fermions. In this scenario, the fermionic interaction is suddenly changed at time t=0, such that for t>0 the system is not in an eigenstate and therefore undergoes a non-trivial time evolution. For the quadratic theory, the stationary state in the limit t→∞ is a non-thermal, or prethermal, state, described by a generalized Gibbs ensemble (GGE). The GGE takes into account for the conservation of all integrals of motion, formed by the eigenmodes of the Hamiltonian. On the other hand, in the presence of non-linearities, the final state for t→∞ is a thermal state with a finite temperature T>0. The spatio-temporal, dynamical thermalization process can be decomposed into three regimes: A prequench regime on the largest distances, which is determined by the initial state, a prethermal plateau for intermediate distances, which is determined by the metastable fixed point of the quadratic theory and a thermal region on the shortest distances. The latter spreads sub-ballistically ∝ t{sup α} in space with 0<α<1 depending on the quench. Until complete thermalization (i.e. for times t<∞), the thermal region contains more energy than the prethermal and prequench region, which is expressed in a larger temperature T{sub t}>T{sub ∞}, decreasing towards its final value T{sub ∞}. As the system has achieved local detailed balance in the thermalized region, energy transport to the non-thermal region can only be performed by the macroscopic dynamical slow modes and the decay of the temperature T{sub t
Wiedemann, Christoph; Ohlenschläger, Oliver; Mrestani-Klaus, Carmen; Bordusa, Frank
2017-09-13
NMR spectroscopy was used to study systematically the impact of imidazolium-based ionic liquid (IL) solutions on a TAT-derived model peptide containing Xaa-Pro peptide bonds. The selected IL anions cover a wide range of the Hofmeister series of ions. Based on highly resolved one- and two-dimensional NMR spectra individual 1 H and 13 C peptide chemical shift differences were analysed and a classification of IL anions according to the Hofmeister series was derived. The observed chemical shift changes indicate significant interactions between the peptide and the ILs. In addition, we examined the impact of different ILs towards the cis/trans equilibrium state of the Xaa-Pro peptide bonds. In this context, the IL cations appear to be of exceptional importance for inducing an alteration of the native cis/trans equilibrium state of Xaa-Pro bonds in favour of the trans-isomers.
Common Factors in International Bond Returns
Driessen, J.J.A.G.; Melenberg, B.; Nijman, T.E.
2000-01-01
In this paper we estimate and interpret the factors that jointly determine bond returns of different maturities in the US, Germany and Japan.We analyze both currency-hedged and unhedged bond returns.For currency-hedged bond returns, we find that five factors explain 96.5% of the variation of bond
7 CFR 1726.27 - Contractor's bonds.
2010-01-01
... 7 Agriculture 11 2010-01-01 2010-01-01 false Contractor's bonds. 1726.27 Section 1726.27... AGRICULTURE ELECTRIC SYSTEM CONSTRUCTION POLICIES AND PROCEDURES General § 1726.27 Contractor's bonds. (a) RUS Form 168b, Contractor's Bond, shall be used when a contractor's bond is required by RUS Forms 200, 257...
Oregon School Bond Manual. Fourth Edition.
Oregon State Dept. of Education, Salem.
The manual is intended to guide attorneys and officials of school districts in the issuance and sale of school district bonds. Purchasers of school district bonds rely on the recommendations of accredited bond attorneys who render opinions concerning the validity and legality of bond issues offered for sale. This manual is designed to assist in…