WorldWideScience

Sample records for classical nucleation theory

  1. Dynamic density functional theory for nucleation: Non-classical predictions of mesoscopic nucleation theory

    Science.gov (United States)

    Duran-Olivencia, Miguel A.; Yatsyshin, Peter; Lutsko, James F.; Kalliadasis, Serafim

    2016-11-01

    Classical density functional theory (DFT) for fluids and its dynamic extension (DDFT) provide an appealing mean-field framework for describing equilibrium and dynamics of complex soft matter systems. For a long time, homogeneous nucleation was considered to be outside the limits of applicability of DDFT. However, our recently developed mesoscopic nucleation theory (MeNT) based on fluctuating hydrodynamics, reconciles the inherent randomness of the nucleation process with the deterministic nature of DDFT. It turns out that in the weak-noise limit, the most likely path (MLP) for nucleation to occur is determined by the DDFT equations. We present computations of MLPs for homogeneous and heterogeneous nucleation in colloidal suspensions. For homogeneous nucleation, the MLP obtained is in excellent agreement with the reduced order-parameter description of MeNT, which predicts a multistage nucleation pathway. For heterogeneous nucleation, the presence of impurities in the fluid affects the MLP, but remarkably, the overall qualitative picture of homogeneous nucleation persists. Finally, we highlight the use of DDFT as a simulation tool, which is especially appealing as there are no known applications of MeNT to heterogeneous nucleation. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031 and from EPSRC via Grants No. EP/L020564 and EP/L025159.

  2. Parameterization of homogeneous ice nucleation for cloud and climate models based on classical nucleation theory

    Directory of Open Access Journals (Sweden)

    V. I. Khvorostyanov

    2012-03-01

    Full Text Available A new analytical parameterization of homogeneous ice nucleation is developed based on extended classical nucleation theory including new equations for the critical radii of the ice germs, free energies and nucleation rates as the functions of the temperature and water saturation ratio simultaneously. By representing these quantities as separable products of the analytical functions of the temperature and supersaturation, analytical solutions are found for the integral-differential supersaturation equation and concentration of nucleated crystals. Parcel model simulations are used to illustrate the general behavior of various nucleation properties under various conditions, for justifications of the further key analytical simplifications, and for verification of the resulting parameterization.

    The final parameterization is based upon the values of the supersaturation that determines the current or maximum concentrations of the nucleated ice crystals. The crystal concentration is analytically expressed as a function of time and can be used for parameterization of homogeneous ice nucleation both in the models with small time steps and for substep parameterization in the models with large time steps. The crystal concentration is expressed analytically via the error functions or elementary functions and depends only on the fundamental atmospheric parameters and parameters of classical nucleation theory. The diffusion and kinetic limits of the new parameterization agree with previous semi-empirical parameterizations.

  3. Direct simulations of homogeneous bubble nucleation: Agreement with classical nucleation theory and no local hot spots.

    Science.gov (United States)

    Diemand, Jürg; Angélil, Raymond; Tanaka, Kyoko K; Tanaka, Hidekazu

    2014-11-01

    We present results from direct, large-scale molecular dynamics simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones atoms and cover up to 56 million time steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical simulations while the ambient pressure and temperature remain almost perfectly constant. We find bubble nucleation rates which are lower than in most of the previous, smaller simulations. It is widely believed that classical nucleation theory (CNT) generally underestimates bubble nucleation rates by very large factors. However, our measured rates are within two orders of magnitude of CNT predictions; only at very low temperatures does CNT underestimate the nucleation rate significantly. Introducing a small, positive Tolman length leads to very good agreement at all temperatures, as found in our recent vapor-to-liquid nucleation simulations. The critical bubbles sizes derived with the nucleation theorem agree well with the CNT predictions at all temperatures. Local hot spots reported in the literature are not seen: Regions where a bubble nucleation event will occur are not above the average temperature, and no correlation of temperature fluctuations with subsequent bubble formation is seen.

  4. Comprehensive theory for star-like polymer micelles: combining classical nucleation and polymer brush theory

    NARCIS (Netherlands)

    Sprakel, J.H.B.; Leermakers, F.A.M.; Cohen Stuart, M.A.; Besseling, N.A.M.

    2008-01-01

    A comprehensive theory is proposed that combines classical nucleation and polymer brush theory to describe star-like polymer micelles. With a minimum of adjustable parameters, the model predicts properties such as critical micelle concentrations and micellar size distributions. The validity of the p

  5. Comprehensive theory for star-like polymer micelles; combining classical nucleation and polymer brush theory.

    Science.gov (United States)

    Sprakel, Joris; Leermakers, Frans A M; Cohen Stuart, Martien A; Besseling, Nicolaas A M

    2008-09-14

    A comprehensive theory is proposed that combines classical nucleation and polymer brush theory to describe star-like polymer micelles. With a minimum of adjustable parameters, the model predicts properties such as critical micelle concentrations and micellar size distributions. The validity of the present theory is evidenced in direct comparison to experiments; this revealed that the proportionality constant in the Daoud-Cotton model is of the order of unity and that the star-limit is valid down to relatively short corona chains. Furthermore, we show that the predicted saddle points in the free energy correspond to those solutions that are accessible with self-consistent field methods for self-assembly.

  6. Oxygen precipitation in silicon: Experimental studies and theoretical investigations within the classical theory of nucleation

    Science.gov (United States)

    Kelton, K. F.; Falster, R.; Gambaro, D.; Olmo, M.; Cornara, M.; Wei, P. F.

    1999-06-01

    Quantitative measurements of the oxygen precipitate rate as a function of annealing were made in Czochralski-grown silicon wafers that contained different initial concentrations of oxygen. All wafers were annealed at 1000 °C for 15 min to ensure that the initial cluster-size distributions were identical in all samples of the same composition prior to the multi-step annealing treatments used for the precipitation studies. The experimental data are compared with numerical predictions for time-dependent nucleation within the classical theory of nucleation. Quantitative agreement is obtained between the measured and calculated densities of oxygen precipitates for nucleation temperatures greater than 600 °C, but only over a narrow range of oxygen composition. Below 600 °C, the measured density for all samples is orders of magnitude larger than is predicted from the model. Further, the measured data show an anomalously small temperature dependence for the induction time for nucleation that does not scale with the diffusion coefficient, as expected from the classical theory of nucleation. Fundamentally, the classical theory of nucleation cannot explain the time-dependent nucleation of oxygen precipitates for temperatures below 650 °C. A possible reason is given.

  7. Classical nucleation theory for solute precipitation amended with diffusion and reaction processes near the interface.

    Science.gov (United States)

    Borisenko, Alexander

    2016-05-01

    During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its average bulk value. This feature affects the rates of attachment and detachment of solute atoms at the interface, and, therefore, the entire nucleation-growth kinetics is altered. Unless quite obvious, this effect has been ignored in classical nucleation theory. To illustrate the results of this approach, for the case of homogeneous nucleation, we calculate the total solubility and the nucleation rate as functions of two parameters of the model (the reduced interface energy and the inverse second Damköhler number), and we compare these results to the classical ones. One can conclude that discrepancies with classical nucleation theory are great in the diffusion-limited regime, when the rate of bulk diffusion is small compared to the rate of interface reactions, while in the opposite interface-limited case they vanish.

  8. Classical nucleation theory of homogeneous freezing of water: thermodynamic and kinetic parameters.

    Science.gov (United States)

    Ickes, Luisa; Welti, André; Hoose, Corinna; Lohmann, Ulrike

    2015-02-28

    The probability of homogeneous ice nucleation under a set of ambient conditions can be described by nucleation rates using the theoretical framework of Classical Nucleation Theory (CNT). This framework consists of kinetic and thermodynamic parameters, of which three are not well-defined (namely the interfacial tension between ice and water, the activation energy and the prefactor), so that any CNT-based parameterization of homogeneous ice formation is less well-constrained than desired for modeling applications. Different approaches to estimate the thermodynamic and kinetic parameters of CNT are reviewed in this paper and the sensitivity of the calculated nucleation rate to the choice of parameters is investigated. We show that nucleation rates are very sensitive to this choice. The sensitivity is governed by one parameter - the interfacial tension between ice and water, which determines the energetic barrier of the nucleation process. The calculated nucleation rate can differ by more than 25 orders of magnitude depending on the choice of parameterization for this parameter. The second most important parameter is the activation energy of the nucleation process. It can lead to a variation of 16 orders of magnitude. By estimating the nucleation rate from a collection of droplet freezing experiments from the literature, the dependence of these two parameters on temperature is narrowed down. It can be seen that the temperature behavior of these two parameters assumed in the literature does not match with the predicted nucleation rates from the fit in most cases. Moreover a comparison of all possible combinations of theoretical parameterizations of the dominant two free parameters shows that one combination fits the fitted nucleation rates best, which is a description of the interfacial tension coming from a molecular model [Reinhardt and Doye, J. Chem. Phys., 2013, 139, 096102] in combination with the activation energy derived from self-diffusion measurements [Zobrist

  9. Refreeze experiments with water droplets containing different types of ice nuclei interpreted by classical nucleation theory

    Science.gov (United States)

    Kaufmann, Lukas; Marcolli, Claudia; Luo, Beiping; Peter, Thomas

    2017-03-01

    Homogeneous nucleation of ice in supercooled water droplets is a stochastic process. In its classical description, the growth of the ice phase requires the emergence of a critical embryo from random fluctuations of water molecules between the water bulk and ice-like clusters, which is associated with overcoming an energy barrier. For heterogeneous ice nucleation on ice-nucleating surfaces both stochastic and deterministic descriptions are in use. Deterministic (singular) descriptions are often favored because the temperature dependence of ice nucleation on a substrate usually dominates the stochastic time dependence, and the ease of representation facilitates the incorporation in climate models. Conversely, classical nucleation theory (CNT) describes heterogeneous ice nucleation as a stochastic process with a reduced energy barrier for the formation of a critical embryo in the presence of an ice-nucleating surface. The energy reduction is conveniently parameterized in terms of a contact angle α between the ice phase immersed in liquid water and the heterogeneous surface. This study investigates various ice-nucleating agents in immersion mode by subjecting them to repeated freezing cycles to elucidate and discriminate the time and temperature dependences of heterogeneous ice nucleation. Freezing rates determined from such refreeze experiments are presented for Hoggar Mountain dust, birch pollen washing water, Arizona test dust (ATD), and also nonadecanol coatings. For the analysis of the experimental data with CNT, we assumed the same active site to be always responsible for freezing. Three different CNT-based parameterizations were used to describe rate coefficients for heterogeneous ice nucleation as a function of temperature, all leading to very similar results: for Hoggar Mountain dust, ATD, and larger nonadecanol-coated water droplets, the experimentally determined increase in freezing rate with decreasing temperature is too shallow to be described properly by

  10. Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid

    Science.gov (United States)

    Lundrigan, Sarah E. M.; Saika-Voivod, Ivan

    2009-09-01

    We perform molecular dynamics (MD) and Monte Carlo computer simulations to test the ability of the recently developed formalism of mean first-passage time (MFPT) [J. Wedekind, R. Strey, and D. Reguera, J. Chem. Phys. 126, 134103 (2007); J. Wedekind and D. Reguera, J. Phys. Chem. B 112, 11060 (2008)] to characterize crystal nucleation in the Lennard-Jones liquid. We find that the nucleation rate, critical embryo size, Zeldovich factor, attachment rate, and the nucleation barrier profile obtained from MFPT all compare very well to the same quantities calculated using other methods. Furthermore, we find that the nucleation rate obtained directly through MD closely matches the prediction of classical nucleation theory.

  11. On the usage of classical nucleation theory in quantification of the impact of bacterial INP on weather and climate

    Science.gov (United States)

    Sahyoun, Maher; Wex, Heike; Gosewinkel, Ulrich; Šantl-Temkiv, Tina; Nielsen, Niels W.; Finster, Kai; Sørensen, Jens H.; Stratmann, Frank; Korsholm, Ulrik S.

    2016-08-01

    Bacterial ice-nucleating particles (INP) are present in the atmosphere and efficient in heterogeneous ice-nucleation at temperatures up to -2 °C in mixed-phase clouds. However, due to their low emission rates, their climatic impact was considered insignificant in previous modeling studies. In view of uncertainties about the actual atmospheric emission rates and concentrations of bacterial INP, it is important to re-investigate the threshold fraction of cloud droplets containing bacterial INP for a pronounced effect on ice-nucleation, by using a suitable parameterization that describes the ice-nucleation process by bacterial INP properly. Therefore, we compared two heterogeneous ice-nucleation rate parameterizations, denoted CH08 and HOO10 herein, both of which are based on classical-nucleation-theory and measurements, and use similar equations, but different parameters, to an empirical parameterization, denoted HAR13 herein, which considers implicitly the number of bacterial INP. All parameterizations were used to calculate the ice-nucleation probability offline. HAR13 and HOO10 were implemented and tested in a one-dimensional version of a weather-forecast-model in two meteorological cases. Ice-nucleation-probabilities based on HAR13 and CH08 were similar, in spite of their different derivation, and were higher than those based on HOO10. This study shows the importance of the method of parameterization and of the input variable, number of bacterial INP, for accurately assessing their role in meteorological and climatic processes.

  12. Unification of classical nucleation theories via a unified Itô-Stratonovich stochastic equation.

    Science.gov (United States)

    Durán-Olivencia, Miguel A; Lutsko, James F

    2015-09-01

    Classical nucleation theory (CNT) is the most widely used framework to describe the early stage of first-order phase transitions. Unfortunately, the different points of view adopted to derive it yield different kinetic equations for the probability density function, e.g., Zeldovich-Frenkel or Becker-Döring-Tunitskii equations. Starting from a phenomenological stochastic differential equation, a unified equation is obtained in this work. In other words, CNT expressions are recovered by selecting one or another stochastic calculus. Moreover, it is shown that the unified CNT thus obtained produces the same Fokker-Planck equation as that from a recent update of CNT [J. F. Lutsko and M. A. Durán-Olivencia, J. Chem. Phys. 138, 244908 (2013)10.1063/1.4811490] when mass transport is governed by diffusion. Finally, we derive a general induction-time expression along with specific approximations of it to be used under different scenarios, in particular, when the mass-transport mechanism is governed by direct impingement, volume diffusion, surface diffusion, or interface transfer.

  13. Simple improvements to classical bubble nucleation models

    CERN Document Server

    Tanaka, Kyoko K; Angélil, Raymond; Diemand, Jürg

    2015-01-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a new prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by T...

  14. Classical nucleation theory of immersion freezing: sensitivity of contact angle schemes to thermodynamic and kinetic parameters

    Science.gov (United States)

    Ickes, Luisa; Welti, André; Lohmann, Ulrike

    2017-02-01

    Heterogeneous ice formation by immersion freezing in mixed-phase clouds can be parameterized in general circulation models (GCMs) by classical nucleation theory (CNT). CNT parameterization schemes describe immersion freezing as a stochastic process, including the properties of insoluble aerosol particles in the droplets. There are different ways to parameterize the properties of aerosol particles (i.e., contact angle schemes), which are compiled and tested in this paper. The goal of this study is to find a parameterization scheme for GCMs to describe immersion freezing with the ability to shift and adjust the slope of the freezing curve compared to homogeneous freezing to match experimental data. We showed in a previous publication that the resulting freezing curves from CNT are very sensitive to unconstrained kinetic and thermodynamic parameters in the case of homogeneous freezing. Here we investigate how sensitive the outcome of a parameter estimation for contact angle schemes from experimental data is to unconstrained kinetic and thermodynamic parameters. We demonstrate that the parameters describing the contact angle schemes can mask the uncertainty in thermodynamic and kinetic parameters. Different CNT formulations are fitted to an extensive immersion freezing dataset consisting of size-selected measurements as a function of temperature and time for different mineral dust types, namely kaolinite, illite, montmorillonite, microcline (K-feldspar), and Arizona test dust. We investigated how accurate different CNT formulations (with estimated fit parameters for different contact angle schemes) reproduce the measured freezing data, especially the time and particle size dependence of the freezing process. The results are compared to a simplified deterministic freezing scheme. In this context, we evaluated which CNT-based parameterization scheme able to represent particle properties is the best choice to describe immersion freezing in a GCM.

  15. Bubble Nucleation on Nano- to Micro-size Cavities and Posts: An Experimental Validation of Classical Theory

    CERN Document Server

    Witharana, S; Strobel, S; Kim, H D; McKrell, T; Chang, J -B; Buongiorno, J; Berggren, K K; Chen, L; Ding, Y

    2012-01-01

    Recently-reported data suggest that bubble nucleation on surfaces with nano-sized features (cavities and posts) may occur close to the thermodynamic saturation temperature. However, according to the traditional theory of heterogeneous bubble nucleation, such low nucleation temperatures are possible only for surfaces with micro-scale cavities. Motivated by this apparent contradiction, we have used infrared thermometry to measure the nucleation temperature of water on custom-fabricated nano- to micro-scale cavities (from 90 nm to 4.5 um in diameter) and posts (from 60 nm to 5 um in diameter), machined on ultra-smooth and clean silicon wafers using electron beam lithography. Our cavity data are in agreement with the predictions of the Young-Laplace equation, thus re-affirming the correctness of the classic view of heterogeneous bubble nucleation, at least for the water-silicon system investigated here. The data also suggest that individual posts of any size have an insignificant effect on bubble nucleation, as e...

  16. Simple improvements to classical bubble nucleation models

    Science.gov (United States)

    Tanaka, Kyoko K.; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

    2015-08-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3 σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

  17. Kinetic Monte Carlo simulation of the classical nucleation process

    Science.gov (United States)

    Filipponi, A.; Giammatteo, P.

    2016-12-01

    We implemented a kinetic Monte Carlo computer simulation of the nucleation process in the framework of the coarse grained scenario of the Classical Nucleation Theory (CNT). The computational approach is efficient for a wide range of temperatures and sample sizes and provides a reliable simulation of the stochastic process. The results for the nucleation rate are in agreement with the CNT predictions based on the stationary solution of the set of differential equations for the continuous variables representing the average population distribution of nuclei size. Time dependent nucleation behavior can also be simulated with results in agreement with previous approaches. The method, here established for the case in which the excess free-energy of a crystalline nucleus is a smooth-function of the size, can be particularly useful when more complex descriptions are required.

  18. Comparison of the interfacial energy and pre-exponential factor calculated from the induction time and metastable zone width data based on classical nucleation theory

    Science.gov (United States)

    Shiau, Lie-Ding

    2016-09-01

    The pre-exponential factor and interfacial energy obtained from the metastable zone width (MSZW) data using the integral method proposed by Shiau and Lu [1] are compared in this study with those obtained from the induction time data using the conventional method (ti ∝J-1) for three crystallization systems, including potassium sulfate in water in a 200 mL vessel, borax decahydrate in water in a 100 mL vessel and butyl paraben in ethanol in a 5 mL tube. The results indicate that the pre-exponential factor and interfacial energy calculated from the induction time data based on classical nucleation theory are consistent with those calculated from the MSZW data using the same detection technique for the studied systems.

  19. A nanoscale temperature-dependent heterogeneous nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Y. Y. [Nanosurface Science and Engineering Research Institute, College of Mechatronics and Control Engineering, Shenzhen University, Shenzhen, 518060 Guangdong (China); Yang, G. W., E-mail: stsygw@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, Nanotechnology Research Center, School of Materials Science and Engineering, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou, 510275 Guangdong (China)

    2015-06-14

    Classical nucleation theory relies on the hypothetical equilibrium of the whole nucleation system, and neglects the thermal fluctuations of the surface; this is because the high entropic gains of the (thermodynamically extensive) surface would lead to multiple stable states. In fact, at the nanometer scale, the entropic gains of the surface are high enough to destroy the stability of the thermal equilibrium during nucleation, comparing with the whole system. We developed a temperature-dependent nucleation theory to elucidate the heterogeneous nucleation process, by considering the thermal fluctuations based on classical nucleation theory. It was found that the temperature not only affected the phase transformation, but also influenced the surface energy of the nuclei. With changes in the Gibbs free energy barrier, nucleation behaviors, such as the nucleation rate and the critical radius of the nuclei, showed temperature-dependent characteristics that were different from those predicted by classical nucleation theory. The temperature-dependent surface energy density of a nucleus was deduced based on our theoretical model. The agreement between the theoretical and experimental results suggested that the developed nucleation theory has the potential to contribute to the understanding and design of heterogeneous nucleation at the nanoscale.

  20. Evaluation of the use of Classical Nucleation Theory for predicting intestinal crystalline precipitation of two weakly basic BSC class II drugs.

    Science.gov (United States)

    Carlert, Sara; Lennernäs, Hans; Abrahamsson, Bertil

    2014-03-12

    The aim of this work was to evaluate an in vitro-in silico approach for prediction of small intestinal crystalline precipitation and drug absorption of two weakly basic model BCS class II drugs, AZD0865 and mebendazole. The crystallization rates were investigated in an in vitro method using simulated gastric and intestinal media, and the result was modeled by using Classical Nucleation Theory (CNT). The effect of varying in vitro parameters (initial drug concentration, rate of mixing gastric and intestinal fluid, stirring and filtration) on the interfacial tension γ, being a key parameter in CNT, was investigated. The initial drug concentration had the most significant effect on γ for both substances tested, although γ is a fundamental parameter independent of concentration according to CNT. In the subsequent in silico prediction of drug absorption, by use of a Compartmental and Transit intestinal model, an empirical approach was used where γ was allowed to vary with simulated small intestinal concentrations. The in silico predictions were compared to published human in vivo plasma drug concentration data for different doses of AZD0865 and dog intestinal drug concentrations, amount precipitated in intestine and plasma concentrations for mebendazole. The results showed that lack of significant crystallization effects on absorption in man of the model drug AZD0865 up to doses of 4 mg/kg could be predicted which was in accordance with in vivo data. Mebendazole intestinal precipitation in canines was also well described by the model, where mean predicted amount precipitated was 136% (range 111-164%) of measured solid amount, and mean predicted intestinal concentration was 94% (range 59-147%) of measured concentration. In conclusion, the in vitro-in silico approach can be used for predictions of absorption effects of crystallization, but the model could benefit from further development work on the theoretical crystallization model and in vitro experimental design.

  1. Advanced classical field theory

    CERN Document Server

    Giachetta, Giovanni; Sardanashvily, Gennadi

    2009-01-01

    Contemporary quantum field theory is mainly developed as quantization of classical fields. Therefore, classical field theory and its BRST extension is the necessary step towards quantum field theory. This book aims to provide a complete mathematical foundation of Lagrangian classical field theory and its BRST extension for the purpose of quantization. Based on the standard geometric formulation of theory of nonlinear differential operators, Lagrangian field theory is treated in a very general setting. Reducible degenerate Lagrangian theories of even and odd fields on an arbitrary smooth manifold are considered. The second Noether theorems generalized to these theories and formulated in the homology terms provide the strict mathematical formulation of BRST extended classical field theory

  2. Covariantizing Classical Field Theories

    CERN Document Server

    López, Marco Castrillón

    2010-01-01

    We show how to enlarge the covariance group of any classical field theory in such a way that the resulting "covariantized" theory is 'essentially equivalent' to the original. In particular, our technique will render any classical field theory generally covariant, that is, the covariantized theory will be spacetime diffeomorphism-covariant and free of absolute objects. Our results thus generalize the well-known parametrization technique of Dirac and Kucha\\v{r}. Our constructions apply equally well to internal covariance groups, in which context they produce natural derivations of both the Utiyama minimal coupling and St\\"uckelberg tricks.

  3. Kinetic theory of diffusion-limited nucleation

    Science.gov (United States)

    Philippe, T.; Bonvalet, M.; Blavette, D.

    2016-05-01

    We examine binary nucleation in the size and composition space {R,c} using the formalism of the multivariable theory [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)]. We show that the variable c drops out of consideration for very large curvature of the new phase Gibbs energy with composition. Consequently nuclei around the critical size have the critical composition, which is derived from the condition of criticality for the canonical variables and is found not to depend on surface tension. In this case, nucleation kinetics can be investigated in the size space only. Using macroscopic kinetics, we determine the general expression for the condensation rate when growth is limited by bulk diffusion, which accounts for both diffusion and capillarity and exhibits a different dependence with the critical size, as compared with the interface-limited regime. This new expression of the condensation rate for bulk diffusion-limited nucleation is the counterpart of the classical interface-limited result. We then extend our analysis to multicomponent solutions.

  4. To the theory of homogeneous nucleation: Cluster energy

    Science.gov (United States)

    Al'Tman, I. S.; Agranovskii, I. E.; Choi, M.; Zagainov, V. A.

    2008-12-01

    An attempt is made to critically analyze the modern state of the theory of homogeneous nucleation as concerns its ability to describe experiments with high accuracy. An analysis of the experimental data led us to conclude that the dependence of the nucleation rate on supersaturation and temperature T was not described by the theory, which underestimates the critical cluster size compared with the Gibbs-Thomson equation. The possibility of applying density functional theory (one of the latest achievements in the theory of homogeneous nucleation) was questioned. Within this theory, the Gibbs-Thomson equation remains valid even outside the classic capillary approximation. It is suggested that, to bring theory in consistency with experiment, certain fundamental propositions of the theory of nucleation should be revised. The inclusion of an additional contribution to the Gibbs energy of a cluster caused by the size dependence of the specific heat capacity of the cluster decreases the critical cluster size compared with the value calculated by the Gibbs-Thomson equation. The calculated dependence of nucleation rate on supersaturation was in agreement with the experimental results.

  5. A physically constrained classical description of the homogeneous nucleation of ice in water

    Science.gov (United States)

    Koop, Thomas; Murray, Benjamin J.

    2016-12-01

    Liquid water can persist in a supercooled state to below 238 K in the Earth's atmosphere, a temperature range where homogeneous nucleation becomes increasingly probable. However, the rate of homogeneous ice nucleation in supercooled water is poorly constrained, in part, because supercooled water eludes experimental scrutiny in the region of the homogeneous nucleation regime where it can exist only fleetingly. Here we present a new parameterization of the rate of homogeneous ice nucleation based on classical nucleation theory. In our approach, we constrain the key terms in classical theory, i.e., the diffusion activation energy and the ice-liquid interfacial energy, with physically consistent parameterizations of the pertinent quantities. The diffusion activation energy is related to the translational self-diffusion coefficient of water for which we assess a range of descriptions and conclude that the most physically consistent fit is provided by a power law. The other key term is the interfacial energy between the ice embryo and supercooled water whose temperature dependence we constrain using the Turnbull correlation, which relates the interfacial energy to the difference in enthalpy between the solid and liquid phases. The only adjustable parameter in our model is the absolute value of the interfacial energy at one reference temperature. That value is determined by fitting this classical model to a selection of laboratory homogeneous ice nucleation data sets between 233.6 K and 238.5 K. On extrapolation to temperatures below 233 K, into a range not accessible to standard techniques, we predict that the homogeneous nucleation rate peaks between about 227 and 231 K at a maximum nucleation rate many orders of magnitude lower than previous parameterizations suggest. This extrapolation to temperatures below 233 K is consistent with the most recent measurement of the ice nucleation rate in micrometer-sized droplets at temperatures of 227-232 K on very short time scales

  6. Invariants from classical field theory

    CERN Document Server

    Diaz, Rafael

    2007-01-01

    We introduce a method that generates invariant functions from classical field theories depending on external parameters. We apply our method to several field theories such as abelian BF, Chern-Simons and 2-dimensional Yang-Mills theory.

  7. Nucleation theory and growth of nanostructures

    CERN Document Server

    Dubrovskii, Vladimir G

    2013-01-01

    Semiconductor nanostructures such as nanowires are promising building blocks of future nanoelectronic, nanophotonic and nanosensing devices. Their physical properties are primarily determined by the epitaxy process which is rather different from the conventional thin film growth. This book shows how the advanced nucleation theory can be used in modeling of growth properties, morphology and crystal phase of such nanostructures.

  8. Translational invariance in nucleation theories: Theoretical formulation

    Energy Technology Data Exchange (ETDEWEB)

    Drossinos, Y.; Kevrekidis, P. G.; Georgopoulos, P. G.

    2001-03-01

    The consequences of spontaneously broken translational invariance on the nucleation-rate statistical prefactor in theories of first-order phase transitions are analyzed. A hybrid, semiphenomenological approach based on field-theoretic analyses of condensation and modern density-functional theories of nucleation is adopted to provide a unified prescription for the incorporation of translational-invariance corrections to nucleation-rate predictions. A connection between these theories is obtained starting from a quantum-mechanical Hamiltonian and using methods developed in the context of studies on Bose-Einstein condensation. An extremum principle is used to derive an integro-differential equation for the spatially nonuniform mean-field order-parameter profile; the appropriate order parameter becomes the square root of the fluid density. The importance of the attractive intermolecular potential is emphasized, whereas the repulsive two-body potential is approximated by considering hard-sphere collisions. The functional form of the degenerate translational eigenmodes in three dimensions is related to the mean-field order parameter, and their contribution to the nucleation-rate prefactor is evaluated. The solution of the Euler-Lagrange variational equation is discussed in terms of either a proposed variational trial function or the complete numerical solution of the associated boundary-value integro-differential problem. Alternatively, if the attractive potential is not explicitly known, an approach that allows its formal determination from its moments is presented.

  9. Crossover model for the work of critical cluster formation in nucleation theory

    NARCIS (Netherlands)

    Kalikmanov, V.I.

    2004-01-01

    We propose a relation for the work of critical cluster formation in nucleation theory W for the systems with long-range interparticle interactions. The method of bridge functions is used to combine the system behavior at sufficiently small quenches, adequately predicted by the classical nucleation t

  10. Systematic coarse-graining in nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Schweizer, M., E-mail: marco.schweizer@math.ethz.ch [Department of Materials, Polymer Physics, ETH Zurich, Vladimir-Prelog-Weg 5, 8093 Zurich (Switzerland); Sagis, L. M. C., E-mail: leonard.sagis@wur.nl [Department of Materials, Polymer Physics, ETH Zurich, Vladimir-Prelog-Weg 5, 8093 Zurich (Switzerland); Food Physics Group, Wageningen University, Bornse Weilanden 9, 6708 WG Wageningen (Netherlands)

    2015-08-21

    In this work, we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte Carlo simulations leads to nucleation rate predictions that deviate 3 − 5 orders of magnitude from the recent brute-force molecular dynamics simulations [Diemand et al., J. Chem. Phys. 139, 074309 (2013)] conducted in the experimental accessible supersaturation regime for Lennard-Jones argon. We argue that this is due to the truncated state space the literature mostly relies on, where the number of atoms in a nucleus is considered the only relevant order parameter. We here formulate the nonequilibrium statistical mechanics of nucleation in an extended state space, where the internal energy and momentum of the nuclei are additionally incorporated. We show that the extended model explains the lack in agreement between the molecular dynamics simulations by Diemand et al. and the truncated state space. We demonstrate additional benefits of using the extended state space; in particular, the definition of a nucleus temperature arises very naturally and can be shown without further approximation to obey the fluctuation law of McGraw and LaViolette. In addition, we illustrate that our theory conveniently allows to extend existing theories to richer sets of order parameters.

  11. Classical Electromagnetic Theory

    CERN Document Server

    VanderLinde, Jack

    2004-01-01

    This book is a self contained course in electromagnetic theory suitable for senior physics and electrical engineering students as well as graduate students whose past has not prepared them well for books such as Jackson or Landau and Lifschitz. The text is liberally sprinkled with worked examples illustrating the application of the theory to various physical problems. In this new edition I have endeavored to improve the accuracy and readability, added and further clarified examples, added sections on Schwarz-Christoffel mappings, and to make the book more self sufficient added an appendix on orthogonal function expansions and added the derivation of Bessel functions and Legendre polynomials as well as derivation of their generating functions. The number of student exercises has been increased by 45 over the previous edition. This book stresses the unity of electromagnetic theory with electric and magnetic fields developed in parallel. SI units are used throughout and considerable use is made of tensor notatio...

  12. A Rationalization of Sympathetic Nucleation-Ledgewise Growth Theory of Bainite Transformation in Fe-C Alloys

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Based on the classic diffusion controlled nucleation and growth theory, the sympathetic nucleationledgewise growth mechanism of bainite was studied theoretically for Iow carbon Fe-C alloys. The rationality of the occurrence of sympathetic nucleation on the terraces of ledges competing with lateral ledge growth and other sites nucleation was demonstrated by the present work quantitatively. The calculations indicated that Iow reaction temperatures and high carbon concentrations may favor the sympathetic nucleation, thus accounting for the formation of multilayer structures of bainite.

  13. Dynamics of homogeneous nucleation

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2015-01-01

    The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

  14. Classical Information Theory

    Science.gov (United States)

    Suhov, Y.

    We begin with the definition of information gained by knowing that an event A has occurred: iota (A) = -log_2 {{P}}(A). (A dual point of view is also useful (although more evasive), where iota (A) is the amount of information needed to specify event A.) Here and below {{P}} stands for the underlying probability distribution. So the rarer an event A, the more information we gain if we know it has occurred. (More broadly, the rarer an event A, the more impact it will have. For example, the unlikely event that occurred in 1938 when fishermen caught a coelacanth - a prehistoric fish believed to be extinct - required a significant change to beliefs about evolution and biology. On the other hand, the likely event of catching a herring or a tuna would hardly imply any change in theories.)

  15. Classical theory of radiating strings

    Science.gov (United States)

    Copeland, Edmund J.; Haws, D.; Hindmarsh, M.

    1990-01-01

    The divergent part of the self force of a radiating string coupled to gravity, an antisymmetric tensor and a dilaton in four dimensions are calculated to first order in classical perturbation theory. While this divergence can be absorbed into a renormalization of the string tension, demanding that both it and the divergence in the energy momentum tensor vanish forces the string to have the couplings of compactified N = 1 D = 10 supergravity. In effect, supersymmetry cures the classical infinities.

  16. Potential Theory in Classical Electrodynamics

    CERN Document Server

    Engelhardt, Wolfgang

    2012-01-01

    In Maxwell's classical theory of electrodynamics the fields are frequently expressed by potentials in order to facilitate the solution of the first order system of equations. This method obscures, however, that there exists an inconsistency between Faraday's law of induction and Maxwell's flux law. As a consequence of this internal contradiction there is neither gauge invariance, nor exist unique solutions in general. It is also demonstrated that inhomogeneous wave equations cannot be solved by retarded integrals.

  17. Nucleation theory - Is replacement free energy needed?. [error analysis of capillary approximation

    Science.gov (United States)

    Doremus, R. H.

    1982-01-01

    It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

  18. Equilibration properties of classical integrable field theories

    Science.gov (United States)

    De Luca, Andrea; Mussardo, Giuseppe

    2016-06-01

    We study the equilibration properties of classical integrable field theories at a finite energy density, with a time evolution that starts from initial conditions far from equilibrium. These classical field theories may be regarded as quantum field theories in the regime of high occupation numbers. This observation permits to recover the classical quantities from the quantum ones by taking a proper \\hslash \\to 0 limit. In particular, the time averages of the classical theories can be expressed in terms of a suitable version of the LeClair-Mussardo formula relative to the generalized Gibbs ensemble. For the purposes of handling time averages, our approach provides a solution of the problem of the infinite gap solutions of the inverse scattering method.

  19. Classical theory of electric and magnetic fields

    CERN Document Server

    Good, Roland H

    1971-01-01

    Classical Theory of Electric and Magnetic Fields is a textbook on the principles of electricity and magnetism. This book discusses mathematical techniques, calculations, with examples of physical reasoning, that are generally applied in theoretical physics. This text reviews the classical theory of electric and magnetic fields, Maxwell's Equations, Lorentz Force, and Faraday's Law of Induction. The book also focuses on electrostatics and the general methods for solving electrostatic problems concerning images, inversion, complex variable, or separation of variables. The text also explains ma

  20. A Classical Introduction to Galois Theory

    CERN Document Server

    Newman, Stephen C

    2012-01-01

    This book provides an introduction to Galois theory and focuses on one central theme - the solvability of polynomials by radicals. Both classical and modern approaches to the subject are described in turn in order to have the former (which is relatively concrete and computational) provide motivation for the latter (which can be quite abstract). The theme of the book is historically the reason that Galois theory was created, and it continues to provide a platform for exploring both classical and modern concepts. This book examines a number of problems arising in the area of classical mathematic

  1. Generalizability Theory and Classical Test Theory

    Science.gov (United States)

    Brennan, Robert L.

    2011-01-01

    Broadly conceived, reliability involves quantifying the consistencies and inconsistencies in observed scores. Generalizability theory, or G theory, is particularly well suited to addressing such matters in that it enables an investigator to quantify and distinguish the sources of inconsistencies in observed scores that arise, or could arise, over…

  2. Classical Theory, Postmodernism, and the Sociology Liberal Arts Curriculum.

    Science.gov (United States)

    Lembcke, Jerry Lee

    1993-01-01

    Discusses classical theory as a modernist endeavor to apprehend the phenomenon of "unity of disunity." Presents three ways that classical theory approaches the philosophy views of Durkheim, Marx, and Weber. Concludes that postmodernism validates the relevancy of classical theory. (CFR)

  3. Unified classical path theories of pressure broadening.

    Science.gov (United States)

    Bottcher, C.

    1971-01-01

    Derivation of a unified classical path theory of pressure broadening, using only elementary concepts. It is shown that the theory of Smith, Cooper and Vidal (1969) is only correct at all frequencies to first order in the number density of perturbers.

  4. Beam structures classical and advanced theories

    CERN Document Server

    Carrera, Erasmo; Petrolo, Marco

    2011-01-01

    Beam theories are exploited worldwide to analyze civil, mechanical, automotive, and aerospace structures. Many beam approaches have been proposed during the last centuries by eminent scientists such as Euler, Bernoulli, Navier, Timoshenko, Vlasov, etc.  Most of these models are problem dependent: they provide reliable results for a given problem, for instance a given section and cannot be applied to a different one. Beam Structures: Classical and Advanced Theories proposes a new original unified approach to beam theory that includes practically all classical and advanced models for be

  5. Prototype Theory and Classical Theory:An Explanation and Comparison

    Institute of Scientific and Technical Information of China (English)

    刘莹

    2014-01-01

    This paper discusses two different ways to understand categorization, which are classical theory and prototype theory. There is a deep exploration on how to understand categories, and different theoretical backgrounds of the two categorization the⁃ories. Furthermore, it reviews the limitations and advantages of both theories. And the comparison of the theories gives a clearer angle to understand their similarities and differences.

  6. Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Laaksonen, A. [Department of Applied Physics, University of Kuopio, P.O. Box 1627, 70211 Kuopio (Finland)]|[Department of Physics, P.O. Box 9, 00014 University of Helsinki, Helsinki (Finland); McGraw, R. [Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11973 (United States); Vehkamaeki, H. [Department of Physics, P.O. Box 9, 00014 University of Helsinki, Helsinki (Finland)]|[University College London, Department of Physics and Astronomy, Gower Street, London WC1E 6BT (United Kingdom)

    1999-08-01

    Three different derivations of the classical binary nucleation theory are considered in detail. It is shown that the derivation originally presented by Wilemski [J. Chem. Phys. {bold 80}, 1370 (1984)] is consistent with more extensive derivations [Oxtoby and Kashchiev, J. Chem. Phys. {bold 100}, 7665 (1994)]; Debenedetti, {ital Metastable Liquids: Concepts and Principles} (Princeton University Press, Princeton, 1996) if and only if the assumption is made that the surface of tension of the binary nucleus coincides with the dividing surface specified by the surface condition {summation}n{sub si}v{sub li}=0, where the n{sub si} denote surface excess numbers of molecules of species {ital i}, and the v{close_quote}s are partial molecular volumes. From this condition, it follows that (1) the surface tension is curvature independent and (2) that the nucleus volume is V={summation}n{sub li}v{sub li}={summation}g{sub i}v{sub li}, where the n{sub li} are the numbers of molecules in the uniform liquid phase of the droplet model encompassed by the surface of tension, and the g{sub i} are the total molecular occupation numbers contained by the nucleus. We show, furthermore, that the above surface condition leads to explicit formulas for the surface excess numbers n{sub si} in the nucleus. Computations for the ethanol{endash}water system show that the surface number for water molecules (n{sub s,H{sub 2}O}) causes the negative occupation numbers (g{sub H{sub 2}O}) obtained earlier using the classical nucleation theory. The unphysical behavior produced by the classical theory for surface active systems is thus a direct consequence of the assumption of curvature independence of surface tension. Based on the explicit formulas for n{sub si}, we calculate the full free-energy surfaces for binary nucleation in the revised classical theory and compare these with the free-energy surfaces in the Doyle (unrevised classical) theory. Significant differences in nucleus size and composition

  7. Classical Ergodicity and Modern Portfolio Theory

    Directory of Open Access Journals (Sweden)

    Geoffrey Poitras

    2015-01-01

    Full Text Available What role have theoretical methods initially developed in mathematics and physics played in the progress of financial economics? What is the relationship between financial economics and econophysics? What is the relevance of the “classical ergodicity hypothesis” to modern portfolio theory? This paper addresses these questions by reviewing the etymology and history of the classical ergodicity hypothesis in 19th century statistical mechanics. An explanation of classical ergodicity is provided that establishes a connection to the fundamental empirical problem of using nonexperimental data to verify theoretical propositions in modern portfolio theory. The role of the ergodicity assumption in the ex post/ex ante quandary confronting modern portfolio theory is also examined.

  8. Nucleation for Lennard-Jones Fluid by Density Functional Theory

    Institute of Scientific and Technical Information of China (English)

    FU Dong

    2005-01-01

    @@ A non-mean field density functional theory is employed to investigate the vapour-liquid nucleation. The excess Helmholtz free energy functional is formulated in terms of a local density approximation for short ranged repulsion and a density-gradient expansion for long-ranged attractions. An analytical expression for the direct correlation function of a Lennard-Jones fluid is utilized to take into account the effect of long-ranged attractions on intermolecular correlations. With the predicted bulk properties and surface tension as input, the nucleation properties including density profile, work of formation and number of particles at the reduced temperatures T* = 0.694 and 0.741 are inuestigated. The obtained number of particles in the critical nucleus agrees well with the simulation data.

  9. Knot Invariants from Classical Field Theories

    CERN Document Server

    Leal, L C

    1999-01-01

    We consider the Non-Abelian Chern-Simons term coupled to external particles, in a gauge and diffeomorphism invariant form. The classical equations of motion are perturbativelly studied, and the on-shell action is shown to produce knot-invariants associated with the sources. The first contributions are explicitly calculated, and the corresponding knot-invariants are recognized. We conclude that the interplay between Knot Theory and Topological Field Theories is manifested not only at the quantum level, but in a classical context as well.

  10. Nucleation of vacuum bubbles in Brans-Dicke type theory

    CERN Document Server

    Kim, Hongsu; Lee, Wonwoo; Lee, Young Jae; Yeom, Dong-han

    2010-01-01

    In this paper, we study nucleation of vacuum bubbles in the Brans-Dicke type theory of gravity. In the Euclidean signatures, we calculate field combinations of vacuum bubbles as solutions of Einstein and field equations as well as their probabilities by integrating the Euclidean action. We illustrate three possible ways to obtain vacuum bubbles: true vacuum bubbles for $\\omega$ > -3/2, false vacuum bubbles for $\\omega$ -3/2 when the vacuum energy of the false vacuum in the potential of the Einstein frame is less than that of the true vacuum. After the bubble is nucleated at the t = 0 surface, we can smoothly connect and match the field combinations to some solutions of the Lorentzian signatures and consistently continue their subsequent evolutions. Therefore, we conclude that, in general scalar-tensor theories or Brans-Dicke type theories, which include some models of string theory, vacuum bubbles are allowed not only in the form of true vacuum bubbles but also false vacuum bubbles, as long as a special cond...

  11. Classical theory of the hydrogen atom

    CERN Document Server

    Rashkovskiy, Sergey

    2016-01-01

    It is shown that all of the basic properties of the hydrogen atom can be consistently described in terms of classical electrodynamics instead of taking the electron to be a particle; we consider an electrically charged classical wave field, an "electron wave", which is held in a limited region of space by the electrostatic field of the proton. It is shown that quantum mechanics must be considered to be not a theory of particles but a classical field theory in the spirit of classical electrodynamics. In this case, we are not faced with difficulties in interpreting the results of the theory. In the framework of classical electrodynamics, all of the well-known regularities of the spontaneous emission of the hydrogen atom are obtained, which is usually derived in the framework of quantum electrodynamics. It is shown that there are no discrete states and discrete energy levels of the atom: the energy of the atom and its states change continuously. An explanation of the conventional corpuscular-statistical interpre...

  12. Classical geometry from the quantum Liouville theory

    CERN Document Server

    Hadasz, L; Piatek, M; Hadasz, Leszek; Jaskolski, Zbigniew; Piatek, Marcin

    2005-01-01

    Zamolodchikov's recursion relations are used to analyze the existence and approximations to the classical conformal block in the case of four parabolic weights. Strong numerical evidence is found that the saddle point momenta arising in the classical limit of the DOZZ quantum Liouville theory are simply related to the geodesic length functions of the hyperbolic geometry on the 4-punctured Riemann sphere. Such relation provides new powerful methods for both numerical and analytical calculations of these functions. The consistency conditions for the factorization of the 4-point classical Liouville action in different channels are numerically verified. The factorization yields efficient numerical methods to calculate the 4-point classical action and, by the Polyakov conjecture, the accessory parameters of the Fuchsian uniformization of the 4-punctured sphere.

  13. Classical geometry from the quantum Liouville theory

    Energy Technology Data Exchange (ETDEWEB)

    Hadasz, Leszek [M. Smoluchowski Institute of Physics, Jagellonian University, Reymonta 4, 30-059 Cracow (Poland)]. E-mail: hadasz@th.if.uj.edu.pl; Jaskolski, Zbigniew [Institute of Theoretical Physics, University of WrocIaw, pl. M. Borna, 950-204 WrocIaw (Poland)]. E-mail: jask@ift.uni.wroc.pl; Piatek, Marcin [Institute of Theoretical Physics, University of WrocIaw, pl. M. Borna, 950-204 WrocIaw (Poland)]. E-mail: piatek@ift.uni.wroc.pl

    2005-09-26

    Zamolodchikov's recursion relations are used to analyze the existence and approximations to the classical conformal block in the case of four parabolic weights. Strong numerical evidence is found that the saddle point momenta arising in the classical limit of the DOZZ quantum Liouville theory are simply related to the geodesic length functions of the hyperbolic geometry on the 4-punctured Riemann sphere. Such relation provides new powerful methods for both numerical and analytical calculations of these functions. The consistency conditions for the factorization of the 4-point classical Liouville action in different channels are numerically verified. The factorization yields efficient numerical methods to calculate the 4-point classical action and, by the Polyakov conjecture, the accessory parameters of the Fuchsian uniformization of the 4-punctured sphere.

  14. "Scars" connect classical and quantum theory

    CERN Multimedia

    Monteiro, T

    1990-01-01

    Chaotic systems are unstable and extremely sensitive to initial condititions. So far, scientists have been unable to demonstrate that the same kind of behaviour exists in quantum or microscopic systems. New connections have been discovered though between classical and quantum theory. One is the phenomena of 'scars' which cut through the wave function of a particle (1 page).

  15. The classical theory of fields electromagnetism

    CERN Document Server

    Helrich, Carl S

    2012-01-01

    The study of classical electromagnetic fields is an adventure. The theory is complete mathematically and we are able to present it as an example of classical Newtonian experimental and mathematical philosophy. There is a set of foundational experiments, on which most of the theory is constructed. And then there is the bold theoretical proposal of a field-field interaction from James Clerk Maxwell. This textbook presents the theory of classical fields as a mathematical structure based solidly on laboratory experiments. Here the student is introduced to the beauty of classical field theory as a gem of theoretical physics. To keep the discussion fluid, the history is placed in a beginning chapter and some of the mathematical proofs in the appendices. Chapters on Green’s Functions and Laplace’s Equation and a discussion of Faraday’s Experiment further deepen the understanding. The chapter on Einstein’s relativity is an integral necessity to the text. Finally, chapters on particle motion and waves in a dis...

  16. Nucleation of the BCC phase from disorder in a diblock copolymer melt: Testing approximate theories through simulation

    Science.gov (United States)

    Spencer, Russell K. W.; Curry, Paul F.; Wickham, Robert A.

    2016-10-01

    We examine nucleation of the stable body-centred-cubic (BCC) phase from the metastable uniform disordered phase in an asymmetric diblock copolymer melt. Our comprehensive, large-scale simulations of the time-dependent, mean-field Landau-Brazovskii model find that spherical droplets of the BCC phase nucleate directly from disorder. Near the order-disorder transition, the critical nucleus is large and has a classical profile, attaining the bulk BCC phase in an interior that is separated from disorder by a sharp interface. At greater undercooling, the amplitude of BCC order in the interior decreases and the nucleus interface broadens, leading to a diffuse critical nucleus. This diffuse nucleus becomes large as the simulation approaches the disordered phase spinodal. We show that our simulation follows the same nucleation pathway that Cahn and Hilliard found for an incompressible two-component fluid, across the entire metastable region. In contrast, a classical nucleation theory calculation based on the free energy of a planar interface between coexisting BCC and disordered phases agrees with simulation only in the limit of very small undercooling; we can expand this region of validity somewhat by accounting for the curvature of the droplet interface. A nucleation pathway involving a classical droplet persists, however, to deep undercooling in our simulation, but this pathway is energetically unfavourable. As a droplet grows in the simulation, its interface moves with a constant speed, and this speed is approximately proportional to the undercooling.

  17. Quantum field theory from classical statistics

    CERN Document Server

    Wetterich, C

    2011-01-01

    An Ising-type classical statistical model is shown to describe quantum fermions. For a suitable time-evolution law for the probability distribution of the Ising-spins our model describes a quantum field theory for Dirac spinors in external electromagnetic fields, corresponding to a mean field approximation to quantum electrodynamics. All quantum features for the motion of an arbitrary number of electrons and positrons, including the characteristic interference effects for two-fermion states, are described by the classical statistical model. For one-particle states in the non-relativistic approximation we derive the Schr\\"odinger equation for a particle in a potential from the time evolution law for the probability distribution of the Ising-spins. Thus all characteristic quantum features, as interference in a double slit experiment, tunneling or discrete energy levels for stationary states, are derived from a classical statistical ensemble. Concerning the particle-wave-duality of quantum mechanics, the discret...

  18. Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations.

    Science.gov (United States)

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2010-11-03

    By classical molecular dynamics simulations employing an embedded atom method potential, we have simulated the bcc to hcp/fcc structural transition in single-crystal iron under uniform compression. Results showed that the transition pressure is different from uniaxial compression and shock loading. The transformation occurs on a picosecond timescale and the transition time decreases along with the increase of pressure. The nucleation and growth of the hcp and fcc phases under constant pressure and temperature are analyzed in detail. The nucleation planes, all belonging to the {110}(bcc) family and parallel to the three compression directions [100], [010], and [001], have been observed. About 20% bcc atoms have transformed to fcc phase under pressure just over the critical point, and under higher pressure the fraction of the fcc phase increases steadily to exceed that of the hcp phase. We have investigated the transition mechanism of iron from initial bcc to hcp/fcc and found that the transition mainly consists of compression, rotation, and shuffle.

  19. Classical Loop Actions of Gauge Theories

    CERN Document Server

    Armand-Ugon, D; Griego, J R; Setaro, L; Armand-Ugon, Daniel; Gambini, Rodolfo; Griego, Jorge; Setaro, Leonardo

    1994-01-01

    Since the first attempts to quantize Gauge Theories and Gravity in the loop representation, the problem of the determination of the corresponding classical actions has been raised. Here we propose a general procedure to determine these actions and we explicitly apply it in the case of electromagnetism. Going to the lattice we show that the electromagnetic action in terms of loops is equivalent to the Wilson action, allowing to do Montecarlo calculations in a gauge invariant way. In the continuum these actions need to be regularized and they are the natural candidates to describe the theory in a ``confining phase''.

  20. [Taxonomic theory for non-classical systematics].

    Science.gov (United States)

    Pavlinov, I Ia

    2012-01-01

    Outlined briefly are basic principles of construing general taxonomic theory for biological systematics considered in the context of non-classical scientific paradigm. The necessity of such kind of theory is substantiated, and some key points of its elaboration are exposed: its interpretation as a framework concept for the partial taxonomic theories in various schools of systematics; elaboration of idea of cognitive situation including three interrelated components, namely subject, object, and epistemic ones; its construing as a content-wisely interpreted quasi-axiomatics, with strong structuring of its conceptual space including demarcation between axioms and inferring rules; its construing as a "conceptual pyramid" of concepts of various levels of generality; inclusion of a basic model into definition of the taxonomic system (classification) regulating its content. Two problems are indicated as fundamental: definition of taxonomic diversity as a subject domain for the systematics as a whole; definition of onto-epistemological status of taxonomic system (classification) in general and of taxa in particular.

  1. Temperature of critical clusters in nucleation theory: generalized Gibbs' approach.

    Science.gov (United States)

    Schmelzer, Jürn W P; Boltachev, Grey Sh; Abyzov, Alexander S

    2013-07-21

    According to the classical Gibbs' approach to the description of thermodynamically heterogeneous systems, the temperature of the critical clusters in nucleation is the same as the temperature of the ambient phase, i.e., with respect to temperature the conventional macroscopic equilibrium conditions are assumed to be fulfilled. In contrast, the generalized Gibbs' approach [J. W. P. Schmelzer, G. Sh. Boltachev, and V. G. Baidakov, J. Chem. Phys. 119, 6166 (2003); and ibid. 124, 194503 (2006)] predicts that critical clusters (having commonly spatial dimensions in the nanometer range) have, as a rule, a different temperature as compared with the ambient phase. The existence of a curved interface may lead, consequently, to an equilibrium coexistence of different phases with different temperatures similar to differences in pressure as expressed by the well-known Laplace equation. Employing the generalized Gibbs' approach, it is demonstrated that, for the case of formation of droplets in a one-component vapor, the temperature of the critical droplets can be shown to be higher as compared to the vapor. In this way, temperature differences between critically sized droplets and ambient vapor phase, observed in recent molecular dynamics simulations of argon condensation by Wedekind et al. [J. Chem. Phys. 127, 064501 (2007)], can be given a straightforward theoretical interpretation. It is shown as well that - employing the same model assumptions concerning bulk and interfacial properties of the system under consideration - the temperature of critical bubbles in boiling is lower as compared to the bulk liquid.

  2. Polynomial Invariant Theory of the Classical Groups

    CERN Document Server

    Westrich, Quinton

    2011-01-01

    The goal of invariant theory is to find all the generators for the algebra of representations of a group that leave the group invariant. Such generators will be called \\emph{basic invariants}. In particular, we set out to find the set of basic invariants for the classical groups GL$(V)$, O$(n)$, and Sp$(n)$ for $n$ even. In the first half of the paper we set up relevant definitions and theorems for our search for the set of basic invariants, starting with linear algebraic groups and then discussing associative algebras. We then state and prove a monumental theorem that will allow us to proceed with hope: it says that the set of basic invariants is finite if $G$ is reductive. Finally we state without proof the First Fundamental Theorems, which aim to list explicitly the relevant sets of basic invariants, for the classical groups above. We end by commenting on some applications of invariant theory, on the history of its development, and stating a useful theorem in the appendix whose proof lies beyond the scope ...

  3. Robust topological degeneracy of classical theories

    Science.gov (United States)

    Vaezi, Mohammad-Sadegh; Ortiz, Gerardo; Nussinov, Zohar

    2016-05-01

    We challenge the hypothesis that the ground states of a physical system whose degeneracy depends on topology must necessarily realize topological quantum order and display nonlocal entanglement. To this end, we introduce and study a classical rendition of the Toric Code model embedded on Riemann surfaces of different genus numbers. We find that the minimal ground state degeneracy (and those of all levels) depends on the topology of the embedding surface alone. As the ground states of this classical system may be distinguished by local measurements, a characteristic of Landau orders, this example illustrates that topological degeneracy is not a sufficient condition for topological quantum order. This conclusion is generic and, as shown, it applies to many other models. We also demonstrate that certain lattice realizations of these models, and other theories, display a ground state entropy (and those of all levels) that is "holographic", i.e., extensive in the system boundary. We find that clock and U (1 ) gauge theories display topological (in addition to gauge) degeneracies.

  4. Binary nucleation beyond capillarity approximation

    NARCIS (Netherlands)

    Kalikmanov, V.I.

    2010-01-01

    Large discrepancies between binary classical nucleation theory (BCNT) and experiments result from adsorption effects and inability of BCNT, based on the phenomenological capillarity approximation, to treat small clusters. We propose a model aimed at eliminating both of these deficiencies. Adsorption

  5. Nucleation Pathways For Freezing Of Two Grades Of Zirconium

    Science.gov (United States)

    Rhim, Won-Kyu; Rulison, Aaron; Bayuzick, Robert; Hofmeister, William; Morton, Craig

    1996-01-01

    Report discusses classical nucleation theory of freezing and describes experimental study of nucleation mechanisms that predominate during freezing of spherical specimens of initially molten zirconium levitated electrostatically in vacuum.

  6. Temperature of critical clusters in nucleation theory: Generalized Gibbs' approach

    Science.gov (United States)

    Schmelzer, Jürn W. P.; Boltachev, Grey Sh.; Abyzov, Alexander S.

    2013-07-01

    According to the classical Gibbs' approach to the description of thermodynamically heterogeneous systems, the temperature of the critical clusters in nucleation is the same as the temperature of the ambient phase, i.e., with respect to temperature the conventional macroscopic equilibrium conditions are assumed to be fulfilled. In contrast, the generalized Gibbs' approach [J. W. P. Schmelzer, G. Sh. Boltachev, and V. G. Baidakov, J. Chem. Phys. 119, 6166 (2003), 10.1063/1.1602066; J. W. P. Schmelzer, G. Sh. Boltachev, and V. G. Baidakov, J. Chem. Phys. 124, 194503 (2006)], 10.1063/1.2196412 predicts that critical clusters (having commonly spatial dimensions in the nanometer range) have, as a rule, a different temperature as compared with the ambient phase. The existence of a curved interface may lead, consequently, to an equilibrium coexistence of different phases with different temperatures similar to differences in pressure as expressed by the well-known Laplace equation. Employing the generalized Gibbs' approach, it is demonstrated that, for the case of formation of droplets in a one-component vapor, the temperature of the critical droplets can be shown to be higher as compared to the vapor. In this way, temperature differences between critically sized droplets and ambient vapor phase, observed in recent molecular dynamics simulations of argon condensation by Wedekind et al. [J. Chem. Phys. 127, 064501 (2007)], 10.1063/1.2752154, can be given a straightforward theoretical interpretation. It is shown as well that - employing the same model assumptions concerning bulk and interfacial properties of the system under consideration - the temperature of critical bubbles in boiling is lower as compared to the bulk liquid.

  7. Extending classical molecular theory with polarization.

    Science.gov (United States)

    Keyes, Tom; Napoleon, Raeanne L

    2011-01-27

    A classical, polarizable, electrostatic theory of short-ranged atom-atom interactions, incorporating the smeared nature of atomic partial charges, is presented. Detailed models are constructed for CO monomer and for CO interacting with an iron atom, as a first step toward heme proteins. A good representation is obtained of the bond-length-dependent dipole of CO monomer from fitting at the equilibrium distance only. Essential features of the binding of CO to myoglobin (Mb) and model heme compounds, including the binding energy, the position of the minimum in the Fe-C potential, the Fe-C frequency, the bending energy, the linear geometry of FeCO, and the increase of the Stark tuning rate and IR intensity, are obtained, suggesting that a substantial part of the Fe-CO interaction consists of a classical, noncovalent, "electrostatic bond ". The binding energy is primarily polarization energy, and the polarization energy of an OH pair in water is shown to be comparable to the experimental hydrogen bond energy.

  8. Surface effects in nucleation

    CERN Document Server

    Alekseechkin, Nikolay V

    2016-01-01

    The classical nucleation theory (CNT) concept of a nucleus as a fragment of the bulk new phase fails for nanosized nuclei. An extension of CNT taking into account the properties of the transition region between coexisting bulk phases is proposed. For this purpose, the finite-thickness layer method which is an alternative to the Gibbs one is used; the transition region is considered as a separate (surface) phase. An equation for the nucleation work is derived which is basic for the multivariable theory of nucleation.

  9. Shear viscosity of the $\\Phi^4$ theory from classical simulation

    CERN Document Server

    Homor, M M

    2015-01-01

    Shear viscosity of the classical $\\Phi^4$ theory is measured using classical microcanonical simulation. To calculate the Kubo formula, we measure the energy-momentum tensor correlation function, and apply the Green-Kubo relation. Being a classical theory, the results depend on the cutoff which should be chosen in the range of the temperature. Comparison with experimentally accessible systems is also performed.

  10. Fisher information and quantum-classical field theory: classical statistics similarity

    Energy Technology Data Exchange (ETDEWEB)

    Syska, J. [Department of Field Theory and Particle Physics, Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice (Poland)

    2007-07-15

    The classical statistics indication for the impossibility to derive quantum mechanics from classical mechanics is proved. The formalism of the statistical Fisher information is used. Next the Fisher information as a tool of the construction of a self-consistent field theory, which joins the quantum theory and classical field theory, is proposed. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Kinetics of spontaneous filament nucleation via oligomers: insights from theory and simulation

    CERN Document Server

    Šarić, Anđela; Zaccone, Alessio; Knowles, Tuomas P J; Frenkel, Daan

    2016-01-01

    Nucleation processes are at the heart of a large number of phenomena, from cloud formation to protein crystallization. A recently emerging area where nucleation is highly relevant is the initiation of filamentous protein self-assembly, a process that has broad implications from medicine to nanotechnology. As such, spontaneous nucleation of protein fibrils has received much attention in recent years with many theoretical and experimental studies focusing on the underlying physical principles. In this paper we make a step forward in this direction and explore the early time behaviour of filamentous protein growth in the context of nucleation theory. We first provide an overview of the thermodynamics and kinetics of spontaneous nucleation in protein filaments in the presence of one relevant degree of freedom, namely the cluster size. In this case, we review how key kinetic observables, such as the reaction order of spontaneous nucleation, are directly related to the physical size of the critical nucleus. We then...

  12. Primary nucleation of lithium carbonate

    Institute of Scientific and Technical Information of China (English)

    Yuzhu SUN; Xingfu SONG; Jin WANG; Yan LUO; Jianguo YU

    2009-01-01

    A set of laser apparatus was used to explore the induction period and the primary nucleation of lithium carbonate. Results show that the induction period increases with the decrease of supersaturation, temperature and stirring speed. Through the classical theory of primary nucleation, many important properties involved in primary nucleation under different conditions were obtained quantitatively, including the interfacial tension between solid and liquid, contact angle, critical nucleus size, critical nuleation free energy etc.

  13. Hilbert space theory of classical electrodynamics

    Indian Academy of Sciences (India)

    RAJAGOPAL A K; GHOSE PARTHA

    2016-06-01

    Classical electrodynamics is reformulated in terms of wave functions in the classical phase space of electrodynamics, following the Koopman–von Neumann–Sudarshan prescription for classical mechanics on Hilbert spaces sans the superselection rule which prohibits interference effects in classical mechanics. This is accomplished by transforming from a set of commutingobservables in one Hilbert space to another set of commuting observables in a larger Hilbert space. This is necessary to clarify the theoretical basis of the much recent work on quantum-like features exhibited by classical optics. Furthermore, following Bondar et al, {\\it Phys. Rev.} A 88, 052108 (2013), it is pointed out that quantum processes that preserve the positivity or nonpositivity of theWigner function can be implemented by classical optics. This may be useful in interpreting quantum information processing in terms of classical optics.

  14. Classical and semi-classical solutions of the Yang--Mills theory. [Review

    Energy Technology Data Exchange (ETDEWEB)

    Jackiw, R.; Nohl, C.; Rebbi, C.

    1977-12-01

    This review summarizes what is known at present about classical solutions to Yang-Mills theory both in Euclidean and Minkowski space. The quantal meaning of these solutions is also discussed. Solutions in Euclidean space expose multiple vacua and tunnelling of the quantum theory. Those in Minkowski space-time provide a semi-classical spectrum for a conformal generator.

  15. Introducing quantum effects in classical theories

    CERN Document Server

    Fabris, J C; Rodrigues, D C; Daouda, M H

    2015-01-01

    In this paper, we explore two different ways of implementing quantum effects in a classical structure. The first one is through an external field. The other one is modifying the classical conservation laws. In both cases, the consequences for the description of the evolution of the universe are discussed.

  16. Functional methods underlying classical mechanics, relativity and quantum theory

    OpenAIRE

    Kryukov, Alexey A.

    2013-01-01

    The paper investigates the physical content of a recently proposed mathematical framework that unifies the standard formalisms of classical mechanics, relativity and quantum theory. In the framework states of a classical particle are identified with Dirac delta functions. The classical space is "made" of these functions and becomes a submanifold in a Hilbert space of states of the particle. The resulting embedding of the classical space into the space of states is highly non-trivial and accou...

  17. Introduction to Classical Density Functional Theory by a Computational Experiment

    Science.gov (United States)

    Jeanmairet, Guillaume; Levy, Nicolas; Levesque, Maximilien; Borgis, Daniel

    2014-01-01

    We propose an in silico experiment to introduce the classical density functional theory (cDFT). Density functional theories, whether quantum or classical, rely on abstract concepts that are nonintuitive; however, they are at the heart of powerful tools and active fields of research in both physics and chemistry. They led to the 1998 Nobel Prize in…

  18. Bleb Nucleation through Membrane Peeling

    CERN Document Server

    Alert, Ricard

    2016-01-01

    We study the nucleation of blebs, i.e., protrusions arising from a local detachment of the membrane from the cortex of a cell. Based on a simple model of elastic linkers with force-dependent kinetics, we show that bleb nucleation is governed by membrane peeling. By this mechanism, the growth or shrinkage of a detached membrane patch is completely determined by the linker kinetics, regardless of the energetic cost of the detachment. We predict the critical nucleation radius for membrane peeling and the corresponding effective energy barrier. These may be typically smaller than those predicted by classical nucleation theory, implying a much faster nucleation. We also perform simulations of a continuum stochastic model of membrane-cortex adhesion to obtain the statistics of bleb nucleation times as a function of the stress on the membrane. The determinant role of membrane peeling changes our understanding of bleb nucleation and opens new directions in the study of blebs.

  19. Deliquescence and efflorescence of small particles: Unifying perspectives from nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    McGraw,R.; Lewis, E.

    2009-02-23

    We examine size dependent deliquescence/efflorescence phase transformation for particles down to several nanometers in size. A thin layer criterion (TLC) is introduced to define a deliquescence relative humidity (DRH) for small particles. The usual bulk deliquescence conditions are recovered in the limit of large dry particle size. Nano-size particles are shown to deliquesce to metastable states via a nucleation process at relative humidity just below the DRH. The nucleation barrier is located at a critical solution layer thickness and vanishes at the DRH defined by the TLC. Methods from nucleation theory form the basis for the analysis and yield new insights into the theory, facilitate the interpretation of measurements, and point to unification of deliquescence and efflorescence processes for particles in the nano regime. Methods include thermodynamic area constructions, Legendre transforms relating the binary free-energy surfaces for deliquescence and efflorescence processes, and application of nucleation theorems.

  20. Reexamination of Correlations for Nucleate Site Distribution on Boiling Surface by Fractal Theory

    Institute of Scientific and Technical Information of China (English)

    YangChunxin

    1997-01-01

    Nucleate site distribution plays an essential role in nucleate boiling process.In this paper,it is pointed out that the size and spatial distributioin density of nucleate sites presented on real boiling surface can be described by the normalized fractal distribution function,and the physical meaning of parameters involved in some experimental correlations proposed by early investigations are identified according to fractal distribution function.It is further suggested that the surface micro geometry characteristics such as the shape of cavities should be described and analyzed qualitatively by using fractal theory.

  1. Helmholtz free energy of a phase containing a sparse ensemble of heterophase clusters with application to nucleation theory.

    Science.gov (United States)

    Tschudi, Hans Rudolf

    2010-03-11

    A decomposition of the Helmholtz free energy of a phase containing a sparse ensemble of heterophase clusters is derived based on classical statistical mechanics and on the general physical characteristics of such systems. It is not assumed that the phase is an ideal gas. The building blocks of this decomposition are the Helmholtz free energies of the constituents (phase and stationary heterophase clusters) and, for every cluster species, a volume V(k)(cm), which is of the magnitude of the thermal fluctuation volume of the center of mass of the stationary cluster containing k monomers. A definition of V(k)(cm) is given in terms of the configuration integrals of the clusters. V(k)(cm) is evaluated for k > 1, with the result that V(k)(cm) is proportional to k(-1/2) and is a function of temperature, the specific volume, and the isothermal compressibility of the phase in the cluster. A thermodynamically consistent expression for the work to form a stationary cluster, which reads as Delta g(k)/(k(B)T) = -ak + (3/2)bk(2/3) + 3ck(1/3) + d, is derived. The coefficients a, b, c, and d depend on the thermodynamic properties of the homogeneous phases, on the surface tension, and on one additional phenomenological material function of temperature and pressure. The description is general and covers a wide class of materials. It is shown that the heterogeneous system represents the thermodynamic equilibrium and not the pure phase without clusters. The resulting expression for the equilibrium particle number, which is different from the one used in classical nucleation theory, is by a standard procedure input for the calculation of the stationary Becker-Döring nucleation rate and entails a correction factor for the classical nucleation rate. Comparison with experiments is provided for nucleation onset measurements of argon and for measurements of the homogeneous nucleation rate of water. Measurements and theory can be brought to match within the limits of experimental precision

  2. Classical glueballs in non-Abelian Born-Infeld theory

    CERN Document Server

    Galtsov, D V; Gal'tsov, Dmitri; Kerner, Richard

    2000-01-01

    It is shown that the Born-Infeld-type modification of the quadratic Yang-Mills action suggested by the superstring theory gives rise to classical particle-like solutions prohibited in the standard Yang-Mills theory. This becomes possible due to the scale invariance breaking by the Born-Infeld non-linearity. New classical glueballs are sphaleronic in nature and exhibit a striking similarity with the Bartnik-McKinnon solutions of the Yang-Mills theory coupled to gravity.

  3. Analysis of the Effect of Water Activity on Ice Formation Using a New Theory of Nucleation

    Science.gov (United States)

    Barahona, Donifan

    2013-01-01

    In this work a new theory of nucleation is developed and used to investigate the effect of water activity on the formation of ice within super-cooled droplets. The new theory is based on a novel concept where the interface is assumed to be made of liquid molecules trapped by the solid matrix. Using this concept new expressions are developed for the critical ice germ size and the nucleation work, with explicit dependencies on temperature and water activity. However unlike previous approaches, the new theory does not depend on the interfacial tension between liquid and ice. Comparison against experimental results shows that the new theory is able to reproduce the observed effect of water activity on nucleation rate and freezing temperature. It allows for the first time a theoretical derivation of the constant shift in water activity between melting and nucleation. The new theory offers a consistent thermodynamic view of ice nucleation, simple enough to be applied in atmospheric models of cloud formation.

  4. On the classical theory of molecular optical activity

    CERN Document Server

    Frolov, Alexei M

    2010-01-01

    The basic principles of classical and semi-classical theories of molecular optical activity are discussed. These theories are valid for dilute solutions of optically active organic molecules. It is shown that all phenomena known in the classical theory of molecular optical activity can be described with the use of one pseudo-scalar which is a uniform function of the incident light frequency $\\omega$. The relation between optical rotation and circular dichroism is derived from the basic Kramers-Kronig relations. In our discussion of the general theory of molecular optical activity we introduce the tensor of molecular optical activity. It is shown that to evaluate the optical rotation and circular dichroism at arbitrary frequencies one needs to know only nine (3 + 6) molecular tensors. The quantum (or semi-classical) theory of molecular optical activity is also briefly discussed. We also raise the possibility of measuring the optical rotation and circular dichroism at wavelengths which correspond to the vacuum ...

  5. HCI Theory Classical, Modern, and Contemporary

    CERN Document Server

    Rogers, Yvonne

    2012-01-01

    Theory is the bedrock of many sciences, providing a rigorous method toadvance knowledge through testing and falsifying hypotheses aboutobservable phenomena. To begin with, the nascent field of HCI followedsuit, borrowing theories from cognitive science to test theories aboutuser performance at the interface.But HCI has emerged as an eclectic interdiscipline rather than a welldefinedscience. It now covers all aspects of human life, from birth tobereavement, through all manner of computing, from device ecologiesto nanotechnology. It comes as no surprise that the role of theory in HCIhas also gre

  6. Classical Solutions of SU(3) Pure Yang-Mills Theory

    OpenAIRE

    2002-01-01

    Regular classical solutions of pure SU(3) gauge theories, in Minkowsky spacetime, are computed in the Landau gauge. The classical fields have an intrinsic energy scale and produce quark confinement if interpreted in the sense of a nonrelativistic potential. Moreover, the quark propagator in the background of these fields vanishes at large positive and negative time and space separations.

  7. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: I. Transitions in the one-phase liquid region.

    Science.gov (United States)

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    The phase field theory (PFT) has been applied to predict equilibrium interfacial properties and nucleation barrier in the binary eutectic system Ag-Cu using double well and interpolation functions deduced from a Ginzburg-Landau expansion that considers fcc (face centered cubic) crystal symmetries. The temperature and composition dependent free energies of the liquid and solid phases are taken from CALculation of PHAse Diagrams-type calculations. The model parameters of PFT are fixed so as to recover an interface thickness of approximately 1 nm from molecular dynamics simulations and the interfacial free energies from the experimental dihedral angles available for the pure components. A nontrivial temperature and composition dependence for the equilibrium interfacial free energy is observed. Mapping the possible nucleation pathways, we find that the Ag and Cu rich critical fluctuations compete against each other in the neighborhood of the eutectic composition. The Tolman length is positive and shows a maximum as a function of undercooling. The PFT predictions for the critical undercooling are found to be consistent with experimental results. These results support the view that heterogeneous nucleation took place in the undercooling experiments available at present. We also present calculations using the classical droplet model [classical nucleation theory (CNT)] and a phenomenological diffuse interface theory (DIT). While the predictions of the CNT with a purely entropic interfacial free energy underestimate the critical undercooling, the DIT results appear to be in a reasonable agreement with the PFT predictions.

  8. Variational principles for multisymplectic second-order classical field theories

    Science.gov (United States)

    Prieto-Martínez, Pedro Daniel; Román-Roy, Narciso

    2015-06-01

    We state a unified geometrical version of the variational principles for second-order classical field theories. The standard Lagrangian and Hamiltonian variational principles and the corresponding field equations are recovered from this unified framework.

  9. Variational principles for multisymplectic second-order classical field theories

    OpenAIRE

    Román Roy, Narciso; Prieto Martínez, Pedro Daniel

    2015-01-01

    We state a unified geometrical version of the variational principles for second-order classical field theories. The standard Lagrangian and Hamiltonian variational principles and the corresponding field equations are recovered from this unified framework. Peer Reviewed

  10. Classical conformality in the Standard Model from Coleman's theory

    CERN Document Server

    Kawana, Kiyoharu

    2016-01-01

    The classical conformality is one of the possible candidates for explaining the gauge hierarchy of the Standard Model. We show that it is naturally obtained from the Coleman's theory on baby universe.

  11. Experimental assessment of unvalidated assumptions in classical plasticity theory.

    Energy Technology Data Exchange (ETDEWEB)

    Brannon, Rebecca Moss (University of Utah, Salt Lake City, UT); Burghardt, Jeffrey A. (University of Utah, Salt Lake City, UT); Bauer, Stephen J.; Bronowski, David R.

    2009-01-01

    This report investigates the validity of several key assumptions in classical plasticity theory regarding material response to changes in the loading direction. Three metals, two rock types, and one ceramic were subjected to non-standard loading directions, and the resulting strain response increments were displayed in Gudehus diagrams to illustrate the approximation error of classical plasticity theories. A rigorous mathematical framework for fitting classical theories to the data, thus quantifying the error, is provided. Further data analysis techniques are presented that allow testing for the effect of changes in loading direction without having to use a new sample and for inferring the yield normal and flow directions without having to measure the yield surface. Though the data are inconclusive, there is indication that classical, incrementally linear, plasticity theory may be inadequate over a certain range of loading directions. This range of loading directions also coincides with loading directions that are known to produce a physically inadmissible instability for any nonassociative plasticity model.

  12. Quantitative methods in classical perturbation theory.

    Science.gov (United States)

    Giorgilli, A.

    Poincaré proved that the series commonly used in Celestial mechanics are typically non convergent, although their usefulness is generally evident. Recent work in perturbation theory has enlightened this conjecture of Poincaré, bringing into evidence that the series of perturbation theory, although non convergent in general, furnish nevertheless valuable approximations to the true orbits for a very large time, which in some practical cases could be comparable with the age of the universe. The aim of the author's paper is to introduce the quantitative methods of perturbation theory which allow to obtain such powerful results.

  13. CLASSICAL ELECTRON THEORY FROM A MODERN STANDPOINT

    Science.gov (United States)

    occurrence and removal of runaway modes, the radiation from a uniformly accelerated charge, an the relation between Maxwell’s electrodynamics and the action-at-a-distance theory of Wheeler and Feynman . (Author)

  14. Overview: Nucleation of clathrate hydrates

    Science.gov (United States)

    Warrier, Pramod; Khan, M. Naveed; Srivastava, Vishal; Maupin, C. Mark; Koh, Carolyn A.

    2016-12-01

    Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

  15. Functional methods underlying classical mechanics, relativity and quantum theory

    Science.gov (United States)

    Kryukov, A.

    2013-04-01

    The paper investigates the physical content of a recently proposed mathematical framework that unifies the standard formalisms of classical mechanics, relativity and quantum theory. In the framework states of a classical particle are identified with Dirac delta functions. The classical space is "made" of these functions and becomes a submanifold in a Hilbert space of states of the particle. The resulting embedding of the classical space into the space of states is highly non-trivial and accounts for numerous deep relations between classical and quantum physics and relativity. One of the most striking results is the proof that the normal probability distribution of position of a macroscopic particle (equivalently, position of the corresponding delta state within the classical space submanifold) yields the Born rule for transitions between arbitrary quantum states.

  16. Classical Coupled Mode Theory of Optomechanical Crystals

    CERN Document Server

    Khorasani, Sina

    2016-01-01

    Acousto-optic interaction in optomechanical crystals allows unidirectional control of elastic waves over optical waves. However, as a result of this nonlinear interaction, infinitely many optical modes are born. This article presents an exact formulaion of coupled mode theory for interaction between elastic Bloch wave waves and photonic Bloch waves moving in a phonotonic waveguide. In general, an optical wavefront is strongly diffracted by an elastic wave in frequency and wavevector, and thus infinite modes with different frequencies and wavevectors appear. We discuss resonance and mode conversion conditions, and present a rigorous method to derive coupling rates and mode profiles. We also find a conservation law which rules over total optical power from interacting individual modes. Modifications of the theory to phonotonic cavities are also discussed. We present application examples including switch, frequency shifter, and reflector.

  17. Introducing a Classical Einstein-Langevin Equation: Proposing a theory for Classical Stochastic Gravity

    CERN Document Server

    Satin, Seema

    2015-01-01

    We attempt to introduce an new approach towards study of certain interesting issues in classical gravity. This can be done for few confined, but interesting and meaningful physical situations, which can be modeled by a classical stochastic Einstein equation. The Einstein equation can be looked upon as an equation of motion, while introducing to it a classical stochastic source or classical fluctuations as driving source. This is analogous to the Langevin equation formalism, in Brownian motion studies. A justification for the validity of such an ansatz for classical gravity is given. The regime of validity of such an approach and the consequences and possible outcomes of this formulation are discussed. We also mention, further relevant directions and applications of the same,that act as motivation towards the new proposal. This field of study can be seen to emerge out of well established ideas and results in Brownian motion theory as well as the Stochastic Semiclassical Gravity (which is already an active area...

  18. Lectures on classical and quantum theory of fields

    Energy Technology Data Exchange (ETDEWEB)

    Arodz, Henryk; Hadasz, Leszek [Jagiellonian Univ., Krakow (Poland). Inst. Physics

    2010-07-01

    This textbook on classical and quantum theory of fields addresses graduate students starting to specialize in theoretical physics. It provides didactic introductions to the main topics in the theory of fields, while taking into account the contemporary view of the subject. The student will find concise explanations of basic notions essential for applications of the theory of fields as well as for frontier research in theoretical physics. One third of the book is devoted to classical fields. Each chapter contains exercises of varying degree of difficulty with hints or solutions, plus summaries and worked examples as useful. The textbook is based on lectures delivered to students of theoretical physics at Jagiellonian University. It aims to deliver a unique combination of classical and quantum field theory in one compact course. (orig.)

  19. Lectures on Classical and Quantum Theory of Fields

    CERN Document Server

    Arodź, Henryk

    2010-01-01

    This textbook on classical and quantum theory of fields addresses graduate students starting to specialize in theoretical physics. It provides didactic introductions to the main topics in the theory of fields, while taking into account the contemporary view of the subject. The student will find concise explanations of basic notions essential for applications of the theory of fields as well as for frontier research in theoretical physics. One third of the book is devoted to classical fields. Each chapter contains exercises of varying degree of difficulty with hints or solutions, plus summaries and worked examples as useful. The textbook is based on lectures delivered to students of theoretical physics at Jagiellonian University. It aims to deliver a unique combination of classical and quantum field theory in one compact course.

  20. Introduction to Classical Density Functional Theory by Computational Experiment

    CERN Document Server

    Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

    2014-01-01

    We present here an introductory practical course to classical density functional theory (cDFT). Density functional theories, whether quantum or classical, rely largely on nonintuitive abstract concepts and applied mathematics. They are nevertheless a powerful tool and an active field of research in physics and chemistry that led to the 1998 Nobel prize in chemistry. We here illustrate the DFT in its most mathematically simple and yet physically relevant form: the classical density functional theory of an ideal fluid in an external field, as applied to the prediction of the structure of liquid neon at the molecular scale. This introductory course is built around the production of a cDFT code written by students using the Mathematica language. In this way, they are brought to deal with (i) the cDFT theory itself, (ii) some basic concepts around the statistical mechanics of simple fluids, (iii) the underlying mathematical and numerical problem of functional minimization, and (iv) a functional programming languag...

  1. Evolving Planck Mass in Classically Scale-Invariant Theories

    CERN Document Server

    Kannike, K; Spethmann, C; Veermäe, H

    2016-01-01

    We consider classically scale-invariant theories with non-minimally coupled scalar fields, where the Planck mass and the hierarchy of physical scales are dynamically generated. The classical theories possess a fixed point, where scale invariance is spontaneously broken. In these theories, however, the Planck mass becomes unstable in the presence of explicit sources of scale invariance breaking, such as non-relativistic matter and cosmological constant terms. We quantify the constraints on such classical models from Big Bang Nucleosynthesis that lead to an upper bound on the non-minimal coupling and require trans-Planckian field values. We show that quantum corrections to the scalar potential can stabilise the fixed point close to the minimum of the Coleman-Weinberg po- tential. The time-averaged motion of the evolving fixed point is strongly suppressed, thus the limits on the evolving gravitational constant from Big Bang Nucleosynthesis and other measurements do not presently constrain this class of theories....

  2. Nucleation, growth and transport modelling of helium bubbles under nuclear irradiation in lead-lithium with the Self-consistent nucleation theory and surface tension corrections

    CERN Document Server

    Fradera, Jorge

    2013-01-01

    Helium (He) nucleation in liquid metal breeding blankets of a DT fusion reactor may have a significant impact regarding system design, safety and operation. Large He production rates are expected due to tritium (T) fuel self-sufficiency requirement, as both, He and T, are produced at the same rate. Low He solubility, local high concentrations, radiation damage and fluid discontinuities, among other phenomena, may yield the necessary conditions for He nucleation. Hence, He nucleation may have a significant impact on T inventory and may lower the T breeding ratio. A model based on the self-consistent nucleation theory (SCT) with a surface tension curvature correction model has been implemented in OpenFoam(r) CFD code. A modification through a single parameter of the necessary nucleation condition is proposed in order to take into account all the nucleation triggering phenomena, specially radiation induced nucleation. Moreover, the kinetic growth model has been adapted so as to allow for the transition from a cr...

  3. Ultraviolet singularities in classical brane theory

    CERN Document Server

    Lechner, Kurt

    2010-01-01

    We construct for the first time an energy-momentum tensor for the electromagnetic field of a p-brane in arbitrary dimensions, entailing finite energy-momentum integrals. The construction relies on distribution theory and is based on a Lorentz-invariant regularization, followed by the subtraction of divergent and finite counterterms supported on the brane. The resulting energy-momentum tensor turns out to be uniquely determined. We perform the construction explicitly for a generic stationary brane. For a brane in arbitrary motion our approach provides a new paradigm for the derivation of the, otherwise divergent, self-force of the brane. The so derived self-force is automatically finite and guarantees, by construction, energy-momentum conservation.

  4. Modern Classical Electrodynamics and Electromagnetic Radiation - Vacuum Field Theory Aspects

    OpenAIRE

    2011-01-01

    The work is devoted to studying some new classical electrodynamics models of interacting charged point particles and related with them physical aspects. Based on the vacuum field theory no-geometry approach, developed in \\cite{BPT,BPT1}, the Lagrangian and Hamiltonian reformulations of some alternative classical electrodynamics models are devised. A problem closely related to the radiation reaction force is analyzed aiming to explain the Wheeler and Feynman reaction radiation mechanism, well ...

  5. Nucleation in food colloids

    Science.gov (United States)

    Povey, Malcolm J. W.

    2016-12-01

    Nucleation in food colloids has been studied in detail using ultrasound spectroscopy. Our data show that classical nucleation theory (CNT) remains a sound basis from which to understand nucleation in food colloids and analogous model systems using n-alkanes. Various interpretations and modifications of CNT are discussed with regard to their relevance to food colloids. Much of the evidence presented is based on the ultrasound velocity spectrometry measurements which has many advantages for the study of nucleating systems compared to light scattering and NMR due to its sensitivity at low solid contents and its ability to measure true solid contents in the nucleation and early crystal growth stages. Ultrasound attenuation spectroscopy also responds to critical fluctuations in the induction region. We show, however, that a periodic pressure fluctuation such as a quasi-continuous (as opposed to a pulse comprising only a few pressure cycles) ultrasound field can alter the nucleation process, even at very low acoustic intensity. Thus care must be taken when using ultrasound techniques that the measurements do not alter the studied processes. Quasi-continuous ultrasound fields may enhance or suppress nucleation and the criteria to determine such effects are derived. The conclusions of this paper are relevant to colloidal systems in foods, pharmaceuticals, agro-chemicals, cosmetics, and personal products.

  6. Plasmon mass scale in classical nonequilibrium gauge theory

    CERN Document Server

    Lappi, Tuomas

    2016-01-01

    Classical lattice Yang-Mills calculations provide a good way to understand different nonequilibrium phenomena in nonperturbatively overoccupied systems. Above the Debye scale the classical theory can be matched smoothly to kinetic theory. The aim of this work is to study the limits of this quasiparticle picture by determining the plasmon mass in classical real time Yang-Mills theory on a lattice in 3 spatial dimensions. We compare three methods to determine the plasmon mass: a hard thermal loop expression in terms of the particle distribution, an effective dispersion relation constructed from fields and their time derivatives, and by measuring oscillations between electric and magnetic field modes after artificially introducing a homogeneous color electric field. We find that a version of the dispersion relation that uses electric fields and their time derivatives agrees with the other methods within 50%.

  7. Recent Developments in Modeling Heteroepitaxy/Heterogeneous Nucleation by Dynamical Density Functional Theory

    Science.gov (United States)

    Podmaniczky, Frigyes; Tóth, Gyula I.; Tegze, György; Gránásy, László

    2015-11-01

    Crystallization of supersaturated liquids usually starts by epitaxial growth or by heterogeneous nucleation on foreign surfaces. Herein, we review recent advances made in modeling heteroepitaxy and heterogeneous nucleation on flat/modulated surfaces and nanoparticles within the framework of a simple dynamical density functional theory, known as the phase-field crystal model. It will be shown that the contact angle and the nucleation barrier are nonmonotonous functions of the lattice mismatch between the substrate and the crystalline phase. In continuous cooling studies for substrates with lattice mismatch, we recover qualitatively the Matthews-Blakeslee mechanism of stress release via the misfit dislocations. The simulations performed for particle-induced freezing will be confronted with recent analytical results, exploring thus the validity range of the latter. It will be demonstrated that time-dependent studies are essential, as investigations based on equilibrium properties often cannot identify the preferred nucleation pathways. Modeling of these phenomena is essential for designing materials on the basis of controlled nucleation and/or nano-patterning.

  8. Classical theory of atomic collisions - The first hundred years

    Science.gov (United States)

    Grujić, Petar V.

    2012-05-01

    Classical calculations of the atomic processes started in 1911 with famous Rutherford's evaluation of the differential cross section for α particles scattered on foil atoms [1]. The success of these calculations was soon overshadowed by the rise of Quantum Mechanics in 1925 and its triumphal success in describing processes at the atomic and subatomic levels. It was generally recognized that the classical approach should be inadequate and it was neglected until 1953, when the famous paper by Gregory Wannier appeared, in which the threshold law for the single ionization cross section behaviour by electron impact was derived. All later calculations and experimental studies confirmed the law derived by purely classical theory. The next step was taken by Ian Percival and collaborators in 60s, who developed a general classical three-body computer code, which was used by many researchers in evaluating various atomic processes like ionization, excitation, detachment, dissociation, etc. Another approach was pursued by Michal Gryzinski from Warsaw, who started a far reaching programme for treating atomic particles and processes as purely classical objects [2]. Though often criticized for overestimating the domain of the classical theory, results of his group were able to match many experimental data. Belgrade group was pursuing the classical approach using both analytical and numerical calculations, studying a number of atomic collisions, in particular near-threshold processes. Riga group, lead by Modris Gailitis [3], contributed considerably to the field, as it was done by Valentin Ostrovsky and coworkers from Sanct Petersbourg, who developed powerful analytical methods within purely classical mechanics [4]. We shall make an overview of these approaches and show some of the remarkable results, which were subsequently confirmed by semiclassical and quantum mechanical calculations, as well as by the experimental evidence. Finally we discuss the theoretical and

  9. Reply to "Comment on 'Simple improvements to classical bubble nucleation models' ".

    Science.gov (United States)

    Tanaka, Kyoko K; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

    2016-08-01

    We reply to the Comment by Schmelzer and Baidakov [Phys. Rev. E 94, 026801 (2016)].10.1103/PhysRevE.94.026801 They suggest that a more modern approach than the classic description by Tolman is necessary to model the surface tension of curved interfaces. Therefore we now consider the higher-order Helfrich correction, rather than the simpler first-order Tolman correction. Using a recent parametrization of the Helfrich correction provided by Wilhelmsen et al. [J. Chem. Phys. 142, 064706 (2015)]JCPSA60021-960610.1063/1.4907588, we test this description against measurements from our simulations, and find an agreement stronger than what the pure Tolman description offers. Our analyses suggest a necessary correction of order higher than the second for small bubbles with radius ≲1 nm. In addition, we respond to other minor criticism about our results.

  10. Non-classical Measurement Theory: a Framework for Behavioral Sciences

    CERN Document Server

    Danilov, V I

    2006-01-01

    Instances of non-commutativity are pervasive in human behavior. In this paper, we suggest that psychological properties such as attitudes, values, preferences and beliefs may be suitably described in terms of the mathematical formalism of quantum mechanics. We expose the foundations of non-classical measurement theory building on a simple notion of orthospace and ortholattice (logic). Two axioms are formulated and the characteristic state-property duality is derived. A last axiom concerned with the impact of measurements on the state takes us with a leap toward the Hilbert space model of Quantum Mechanics. An application to behavioral sciences is proposed. First, we suggest an interpretation of the axioms and basic properties for human behavior. Then we explore an application to decision theory in an example of preference reversal. We conclude by formulating basic ingredients of a theory of actualized preferences based in non-classical measurement theory.

  11. Classical electromagnetic field theory in the presence of magnetic sources

    CERN Document Server

    Chen, W J; Naón, C M; Chen, Wen-Jun; Li, Kang

    2001-01-01

    Using two new well defined 4-dimensional potential vectors, we formulate the classical Maxwell's field theory in a form which has manifest Lorentz covariance and SO(2) duality symmetry in the presence of magnetic sources. We set up a consistent Lagrangian for the theory. Then from the action principle we get both Maxwell's equation and the equation of motion of a dyon moving in the electro-magnetic field.

  12. Classical Electromagnetic Field Theory in the Presence of Magnetic Sources

    Institute of Scientific and Technical Information of China (English)

    LI Kang(李康); CHEN Wen-Jun(陈文俊); NAON Carlos M.

    2003-01-01

    Using two new well-defined four-dimensional potential vectors, we formulate the classical Maxwell field theory in a form which has manifest Lorentz covariance and SO(2) duality symmetry in the presence of magnetic sources.We set up a consistent Lagrangian for the theory. Then from the action principle we obtain both Maxwell's equation and the equation of motion of a dyon moving in the electromagnetic field.

  13. Representational Realism, Closed Theories and the Quantum to Classical Limit

    CERN Document Server

    de Ronde, Christian

    2016-01-01

    In this paper we discuss the representational realist stance as a pluralist ontic approach to inter-theoretic relationships. Our stance stresses the fact that physical theories require the necessary consideration of a conceptual level of discourse which determines and configures the specific field of phenomena discussed by each particular theory. We will criticize the orthodox line of research which has grounded the analysis about QM in two (Bohrian) metaphysical presuppositions -accepted in the present as dogmas that all interpretations must follow. We will also examine how the orthodox project of "bridging the gap" between the quantum and the classical domains has constrained the possibilities of research, producing only a limited set of interpretational problems which only focus in the justification of "classical reality" and exclude the possibility of analyzing the possibilities of non-classical conceptual representations of QM. The representational realist stance introduces two new problems, namely, the ...

  14. Classical and Quantum Theory of Perturbations in Inflationary Universe Models

    CERN Document Server

    Brandenberger, R H; Mukhanov, V

    1993-01-01

    A brief introduction to the gauge invariant classical and quantum theory of cosmological perturbations is given. The formalism is applied to inflationary Universe models and yields a consistent and unified description of the generation and evolution of fluctuations. A general formula for the amplitude of cosmological perturbations in inflationary cosmology is derived.

  15. Aesthetic Creativity: Insights from Classical Literary Theory on Creative Learning

    Science.gov (United States)

    Hellstrom, Tomas Georg

    2011-01-01

    This paper addresses the subject of textual creativity by drawing on work done in classical literary theory and criticism, specifically new criticism, structuralism and early poststructuralism. The question of how readers and writers engage creatively with the text is closely related to educational concerns, though they are often thought of as…

  16. Classical Stasis Theory and the Analysis of Public Policy.

    Science.gov (United States)

    Hatch, Gary Layne

    In classical Greece, there was a close tie between rhetoric and the practice and theory of public policy. Gradually, however, rhetoric became increasingly concerned with style and literary criticism, while philosophers began to debate political issues apart from the practical affairs of the polis. Because rhetoric provides a model that can still…

  17. Investigation of Vapor-Liquid Nucleation for Associating Fluids by Density Gradient Theory

    Institute of Scientific and Technical Information of China (English)

    FU Dong; LIU Jianmin

    2009-01-01

    An equation of state (EOS) applicable to both the uniform and non-uniform associating fluids was established by using the density-gradient expansion, in which the influence parameter κis formulated as a function of tempera-ture. The molecular parameters were regressed by fitting to the experimental data of vapor pressures and liquid den-sities. Within the framework of density gradient theory (DGT), the nucleation rates for water, heavy water, metha-nol, ethanol, 1-propanoi, 1-butanol, 1-pentanol and 1-hexanol were calculated. The results were satisfactory com-pared with the experimental data. Our study shows that DGT preserves all the advantages of density functional the-ory (DFT) in capturing the structure and properties of nucleus but gives much more accurate nucleation rates by adjusting the influence parameter.

  18. Theory of Optimal Currency Zones: from Classics until Today

    Directory of Open Access Journals (Sweden)

    Pinchuk Anastasiya K.

    2013-12-01

    Full Text Available The article analyses evolution of the theory of optimal currency zones (OCZ, starting from its classical provisions until moder developments. Based on the critical analysis of classical criteria of OCZ, the article develops a scheme of selection of the currency mode by the Robert Mundell theory. It considers achievements of the alternative OCZ theory, the main provisions of which are shown schematically in the form of illustrations of evolution of the theory of optimal currency zones. In the result of analysis of classical criteria of optimal currency zones and generalisation of developments of the new OCZ theory, the article develops a universal algorithm of identification of optimal conditions for an efficient currency zone. Using this algorithm allows identification of a system of quantitative indicators of expediency of regional joining the OCZ, on the basis of which one can build an economic model of an optimal currency zone, which reflects the degree of readiness of any country to join or develop the OCZ. Development of this model is necessary for many countries that face the need to select the currency integration. This model is of special importance for Ukraine, for which it is important to select the course of external integration, since various directions of foreign policy significantly influence efficiency of the domestic economic policy in the country.

  19. Classical Effective Field Theory and Caged Black Holes

    CERN Document Server

    Kol, Barak

    2007-01-01

    Matched Asymptotic Expansion (MAE) is a useful technique in General Relativity and other fields whenever interaction takes place between physics at two different length scales. Here MAE is argued to be equivalent quite generally to Classical Effective Field Theory (ClEFT) where one (or more) of the zones is replaced by an effective theory whose terms are organized in order of increasing irrelevancy, as demonstrated by Goldberger and Rothstein in a certain gravitational context. The ClEFT perspective has advantages as the procedure is clearer, it allows a representation via Feynman diagrams, and divergences can be regularized and renormalized in standard field theoretic methods. As a side product we obtain a wide class of classical examples of regularization and renormalization, concepts which are usually associated with Quantum Field Theories. We demonstrate these ideas through the thermodynamics of caged black holes, both simplifying the non-rotating case, and computing the rotating case. In particular we ar...

  20. Modern Classical Electrodynamics and Electromagnetic Radiation - Vacuum Field Theory Aspects

    CERN Document Server

    Bogolubov, N N

    2012-01-01

    The work is devoted to studying some new classical electrodynamics models of interacting charged point particles and related with them physical aspects. Based on the vacuum field theory no-geometry approach, developed in \\cite{BPT,BPT1}, the Lagrangian and Hamiltonian reformulations of some alternative classical electrodynamics models are devised. A problem closely related to the radiation reaction force is analyzed aiming to explain the Wheeler and Feynman reaction radiation mechanism, well known as the absorption radiation theory, and strongly dependent on the Mach type interaction of a charged point particle in an ambient vacuum electromagnetic medium. There are discussed some relationships between this problem and the one derived within the context of the vacuum field theory approach. The R. \\ Feynman's \\textquotedblleft heretical\\textquotedblright\\ approach \\cite{Dy1,Dy2} to deriving the Lorentz force based Maxwell electromagnetic equations is also revisited, its complete legacy is argued both by means o...

  1. THE NEW CLASSICAL THEORY AND THE REAL BUSINESS CYCLE MODEL

    Directory of Open Access Journals (Sweden)

    Oana Simona HUDEA (CARAMAN

    2014-11-01

    Full Text Available The present paper aims at describing some key elements of the new classical theory-related model, namely the Real Business Cycle, mainly describing the economy from the perspective of a perfectly competitive market, characterised by price, wage and interest rate flexibility. The rendered impulse-response functions, that help us in revealing the capacity of the model variables to return to their steady state under the impact of a structural shock, be it technology or monetary policy oriented, give points to the neutrality of the monetary entity decisions, therefore confirming the well-known classical dichotomy existing between the nominal and the real factors of the economy.

  2. Classic Grounded Theory to Analyse Secondary Data: Reality and Reflections

    Directory of Open Access Journals (Sweden)

    Lorraine Andrews

    2012-06-01

    Full Text Available This paper draws on the experiences of two researchers and discusses how they conducted a secondary data analysis using classic grounded theory. The aim of the primary study was to explore first-time parents’ postnatal educational needs. A subset of the data from the primary study (eight transcripts from interviews with fathers was used for the secondary data analysis. The objectives of the secondary data analysis were to identify the challenges of using classic grounded theory with secondary data and to explore whether the re-analysis of primary data using a different methodology would yield a different outcome. Through the process of re-analysis a tentative theory emerged on ‘developing competency as a father’. Challenges encountered during this re-analysis included the small dataset, the pre-framed data, and limited ability for theoretical sampling. This re-analysis proved to be a very useful learning tool for author 1(LA, who was a novice with classic grounded theory.

  3. Quantum theory is classical mechanics with non-local existence

    CERN Document Server

    Hegseth, John

    2009-01-01

    I propose a new and direct connection between classical mechanics and quantum mechanics where I derive the quantum mechanical propagator from a variational principle. This variational principle is Hamilton's modified principle generalized to allow many paths due to the non-local existence of particles in phase space. This principle allows a physical system to evolve non-locally in phase space while still allowing a representation that uses many classical paths. Whereas a point in phase space represents a classical system's state, I represent the state of a non-local system by a mixed trajectory. This formulation naturally leads to the transactional interpretation for resolving the paradoxes of the measurement problem. This principle also suggests a more flexible framework for formulating theories based on invariant actions and provides a single conceptual framework for discussing many areas of science.

  4. Classical field theory on electrodynamics, non-Abelian gauge theories and gravitation

    CERN Document Server

    Scheck, Florian

    2012-01-01

    The book describes Maxwell's equations first in their integral, directly testable form, then moves on to their local formulation. The first two chapters cover all essential properties of Maxwell's equations, including their symmetries and their covariance in a modern notation. Chapter 3 is devoted to Maxwell theory as a classical field theory and to solutions of the wave equation. Chapter 4 deals with important applications of Maxwell theory. It includes topical subjects such as metamaterials with negative refraction index and solutions of Helmholtz' equation in paraxial approximation relevant for the description of laser beams. Chapter 5 describes non-Abelian gauge theories from a classical, geometric point of view, in analogy to Maxwell theory as a prototype, and culminates in an application to the U(2) theory relevant for electroweak interactions. The last chapter 6 gives a concise summary of semi-Riemannian geometry as the framework for the classical field theory of gravitation. The chapter concludes wit...

  5. Quiver Theories for Moduli Spaces of Classical Group Nilpotent Orbits

    CERN Document Server

    Hanany, Amihay

    2016-01-01

    We approach the topic of Classical group nilpotent orbits from the perspective of their moduli spaces, described in terms of Hilbert series and generating functions. We review the established Higgs and Coulomb branch quiver theory constructions for A series nilpotent orbits. We present systematic constructions for BCD series nilpotent orbits on the Higgs branches of quiver theories defined by canonical partitions; this paper collects earlier work into a systematic framework, filling in gaps and providing a complete treatment. We find new Coulomb branch constructions for above minimal nilpotent orbits, including some based upon twisted affine Dynkin diagrams. We also discuss aspects of 3d mirror symmetry between these Higgs and Coulomb branch constructions and explore dualities and other relationships, such as HyperKahler quotients, between quivers. We analyse all Classical group nilpotent orbit moduli spaces up to rank 4 by giving their unrefined Hilbert series and the Highest Weight Generating functions for ...

  6. Conformal Field Theory Correlators from Classical Scalar Field Theory on $AdS_{d+1}$

    CERN Document Server

    Mück, W; Mueck, Wolfgang

    1998-01-01

    We use the correspondence between scalar field theory on $AdS_{d+1}$ and a conformal field theory on $R^d$ to calculate the 3- and 4-point functions of the latter. The classical scalar field theory action is evaluated at tree level.

  7. A New Fuzzy Set Theory Satisfying All Classical Set Formulas

    Institute of Scientific and Technical Information of China (English)

    Qing-Shi Gao; Xiao-Yu Gao; Yue Hu

    2009-01-01

    A new fuzzy set theory, C-fuzzy set theory, is introduced in this paper. It is a particular case of the classical set theory and satisfies all formulas of the classical set theory. To add a limitation to C-fuzzy set system, in which all fuzzy sets must be "non-uniform inclusive" to each other, then it forms a family of sub-systems, the Z-fuzzy set family. It can be proved that the Z0-fuzzy set system, one of Z-fuzzy set systems, is equivalent to Zadeh's fuzzy set system. Analysis shows that 1) Zadeh's fuzzy set system defines the relations A = B and A ∈B between two fuzzy sets A and B as "Vu e U,(u A E (u)=μB(U))" and "Au ∈ U, (μA(U) ≤μB(μ))" respectively is inappropriate, because it makes all fuzzy sets be "non-uniformly inclusive"; 2) it is also inappropriate to define two fuzzy sets' union and intersection operations as the max and rain of their grades of membership, because this prevents fuzzy set's ability to correctly reflect different kinds of fuzzy phenomenon in the natural world. Then it has to work around the problem by invent unnatural functions that are hard to understand, such as augmenting max and min for union and intersection to min{a + b, 1} and max{a + b - 1, 0}, but these functions are incorrect on inclusive case. If both pairs of definitions are used together, not only are they unnatural, but also they are still unable to cover all possible set relationships in the natural world; and 3) it is incorrect to define the set complement as 1 -μA(μ), because it can be proved that set complement cannot exist in Zadeh's fuzzy set, and it causes confusion in logic and thinking. And it is seriously mistaken to believe that logics of fuzzy sets necessarily go against classical and normal thinking, logic, and conception. The C-fuzzy set theory proposed in this paper overcomes all of the above errors and shortcomings, and more reasonably reflects fuzzy phenomenon in the natural world. It satisfies all relations, formulas, and operations of the

  8. Semi-Classical field theory as Decoherence Free Subspaces

    CERN Document Server

    Varela, Jaime

    2014-01-01

    We formulate semi-classical field theory as an approximate decoherence-free-subspace of a finite-dimensional quantum-gravity hilbert space. A complementarity construction can be realized as a unitary transformation which changes the decoherence-free-subspace. This can be translated to signify that field theory on a global slice, in certain space-times, is the simultaneous examination of two different superselected sectors of a gauge theory. We posit that a correct course graining procedure of quantum gravity should be WKB states propagating in a curved background in which particles exiting a horizon have imaginary components to their phases. The field theory appears non-unitary, but it is due to the existence of approximate decoherence free sub-spaces. Furthermore, the importance of operator spaces in the course-graining procedure is discussed. We also briefly touch on Firewalls.

  9. Classical theory of resonant transition radiation in multilayer structures.

    Science.gov (United States)

    Pardo, B; André, J M

    2001-01-01

    A rigorous classical electromagnetic theory of the transition radiation in finite and infinite multilayer structures is presented. It makes the standard results of thin-film optics, such as the matrix formalism, accountable; it allows thus an exact treatment of the propagation of the waves induced by the electron. This method is applied to the particular case of the periodic structures to treat the resonant transition radiation (RTR). It is noted that the present theory gives, in the hard x-ray domain, results previously published. The reason for this approach is to make the numerical calculations rigorous and easy. The numerical results of our theory are compared to experimental RTR data obtained recently by Yamada et al. [Phys. Rev. A 59, 3673 (1999)] with a nickel-carbon multilayer structure.

  10. Classical Bianchi type I cosmology in K-essence theory

    CERN Document Server

    Socorro, J; Espinoza-García, Abraham

    2014-01-01

    We use one of the simplest forms of the K-essence theory and we apply it to the classical anisotropic Bianchi type I cosmological model, with a barotropic perfect fluid modeling the usual matter content and with cosmological constant. The classical solutions for any but the stiff fluid and without cosmological constant are found in closed form, using a time transformation. We also present the solution whith cosmological constant and some particular values of the barotropic parameter. We present the possible isotropization of the cosmological model, using the ratio between the anisotropic parameters and the volume of the universe and show that this tend to a constant or to zero for different cases. We include also a qualitative analysis of the analog of the Friedmann equation.

  11. The theory of variational hybrid quantum-classical algorithms

    CERN Document Server

    McClean, Jarrod R; Babbush, Ryan; Aspuru-Guzik, Alán

    2015-01-01

    Many quantum algorithms have daunting resource requirements when compared to what is available today. To address this discrepancy, a quantum-classical hybrid optimization scheme known as "the quantum variational eigensolver" was developed with the philosophy that even minimal quantum resources could be made useful when used in conjunction with classical routines. In this work we extend the general theory of this algorithm and suggest algorithmic improvements for practical implementations. Specifically, we develop a variational adiabatic ansatz and explore unitary coupled cluster where we establish a connection from second order unitary coupled cluster to universal gate sets through relaxation of exponential splitting. We introduce the concept of quantum variational error suppression that allows some errors to be suppressed naturally in this algorithm on a pre-threshold quantum device. Additionally, we analyze truncation and correlated sampling in Hamiltonian averaging as ways to reduce the cost of this proced...

  12. Classical microscopic theory of dispersion, emission and absorption of light in dielectrics. Classical microscopic theory of dielectric susceptibility

    Science.gov (United States)

    Carati, Andrea; Galgani, Luigi

    2014-10-01

    This paper is a continuation of a recent one in which, apparently for the first time, the existence of polaritons in ionic crystals was proven in a microscopic electrodynamic theory. This was obtained through an explicit computation of the dispersion curves. Here the main further contribution consists in studying electric susceptibility, from which the spectrum can be inferred. We show how susceptibility is obtained by the Green-Kubo methods of Hamiltonian statistical mechanics, and give for it a concrete expression in terms of time-correlation functions. As in the previous paper, here too we work in a completely classical framework, in which the electrodynamic forces acting on the charges are all taken into account, both the retarded forces and the radiation reaction ones. So, in order to apply the methods of statistical mechanics, the system has to be previously reduced to a Hamiltonian one. This is made possible in virtue of two global properties of classical electrodynamics, namely, the Wheeler-Feynman identity and the Ewald resummation properties, the proofs of which were already given for ordered system. The second contribution consists in formulating the theory in a completely general way, so that in principle it applies also to disordered systems such as glasses, or liquids or gases, provided the two general properties mentioned above continue to hold. A first step in this direction is made here by providing a completely general proof of the Wheeler-Feynman identity, which is shown to be the counterpart of a general causality property of classical electrodynamics. Finally it is shown how a line spectrum can appear at all in classical systems, as a counterpart of suitable stability properties of the motions, with a broadening due to a coexistence of chaoticity. The relevance of some recent results of the theory of dynamical systems in this connection is also pointed out.

  13. BOOK REVIEW: Classical Solutions in Quantum Field Theory Classical Solutions in Quantum Field Theory

    Science.gov (United States)

    Mann, Robert

    2013-02-01

    Quantum field theory has evolved from its early beginnings as a tool for understanding the interaction of light with matter into a rather formidable technical paradigm, one that has successfully provided the mathematical underpinnings of all non-gravitational interactions. Over the eight decades since it was first contemplated the methods have become increasingly more streamlined and sophisticated, yielding new insights into our understanding of the subatomic world and our abilities to make clear and precise predictions. Some of the more elegant methods have to do with non-perturbative and semiclassical approaches to the subject. The chief players here are solitons, instantons, and anomalies. Over the past three decades there has been a steady rise in our understanding of these objects and of our ability to calculate their effects and implications for the rest of quantum field theory. This book is a welcome contribution to this subject. In 12 chapters it provides a clear synthesis of the key developments in these subjects at a level accessible to graduate students that have had an introductory course to quantum field theory. In the author's own words it provides both 'a survey and an overview of this field'. The first half of the book concentrates on solitons--kinks, vortices, and magnetic monopoles--and their implications for the subject. The reader is led first through the simplest models in one spatial dimension, into more sophisticated cases that required more advanced topological methods. The author does quite a nice job of introducing the various concepts as required, and beginning students should be able to get a good grasp of the subject directly from the text without having to first go through the primary literature. The middle part of the book deals with the implications of these solitons for both cosmology and for duality. While the cosmological discussion is quite nice, the discussion on BPS solitons, supersymmetry and duality is rather condensed. It is

  14. The Prediction of Item Parameters Based on Classical Test Theory and Latent Trait Theory

    Science.gov (United States)

    Anil, Duygu

    2008-01-01

    In this study, the prediction power of the item characteristics based on the experts' predictions on conditions try-out practices cannot be applied was examined for item characteristics computed depending on classical test theory and two-parameters logistic model of latent trait theory. The study was carried out on 9914 randomly selected students…

  15. Semi-classical quantum theory for cyclotron radiation

    Institute of Scientific and Technical Information of China (English)

    陈军锋; 邓劲松; 徐毅; 尤峻汉

    1997-01-01

    A semi-classical quantum theory of the cyclotron radiation of the nonrelativistic thermal electrons in a very strong magnetic field is presented.The basic formulae of the absorption coefficient of cyclotron resonance kv and the absorption (scattering) cross-section of cyclotron resonance σv have been derived under the quadrupole approximation.σv is an important quantity in the study of the "magnetic inverse-Compton scattering".It is shown that σv is greatly larger than the Thomson cross-sectron σT,which is important in discussing the magnetic inverse-Compton scattering of the relativistic electrons in a very strong magnetic field.

  16. Link Invariants from Classical Chern-Simons Theory

    CERN Document Server

    Leal, L C

    2002-01-01

    Taking as starting point a perturbative study of the classical equations of motion of the non-Abelian Chern-Simons Theory with non-dynamical sources, we search for analytical expressions for link invarians. In order to present this expressions in a manifestly diffeomorphism-invariant form, we introduce a set of differential forms associated with submanifolds in Euclidean three-space that allow us to write the link invariants as a kind of surface-dependent diffeomorphism-invariants that present certain Abelian gauge symmetry.

  17. Lie Groupoids in Classical Field Theory I: Noether's Theorem

    CERN Document Server

    Costa, Bruno T; Pêgas, Luiz Henrique P

    2015-01-01

    In the two papers of this series, we initiate the development of a new approach to implementing the concept of symmetry in classical field theory, based on replacing Lie groups/algebras by Lie groupoids/algebroids, which are the appropriate mathematical tools to describe local symmetries when gauge transformations are combined with space-time transformations. Here, we outline the basis of the program and, as a first step, show how to (re)formulate Noether's theorem about the connection between symmetries and conservation laws in this approach.

  18. Effects of shear flow on phase nucleation and crystallization

    Science.gov (United States)

    Mura, Federica; Zaccone, Alessio

    2016-04-01

    Classical nucleation theory offers a good framework for understanding the common features of new phase formation processes in metastable homogeneous media at rest. However, nucleation processes in liquids are ubiquitously affected by hydrodynamic flow, and there is no satisfactory understanding of whether shear promotes or slows down the nucleation process. We developed a classical nucleation theory for sheared systems starting from the molecular level of the Becker-Doering master kinetic equation and we analytically derived a closed-form expression for the nucleation rate. The theory accounts for the effect of flow-mediated transport of molecules to the nucleus of the new phase, as well as for the mechanical deformation imparted to the nucleus by the flow field. The competition between flow-induced molecular transport, which accelerates nucleation, and flow-induced nucleus straining, which lowers the nucleation rate by increasing the nucleation energy barrier, gives rise to a marked nonmonotonic dependence of the nucleation rate on the shear rate. The theory predicts an optimal shear rate at which the nucleation rate is one order of magnitude larger than in the absence of flow.

  19. Emergence Of A Classical World From Within Quantum Theory

    CERN Document Server

    Poulin, D

    2005-01-01

    The starting point of this dissertation is that a quantum state represents the observer's knowledge about the system of interest. As it has been pointed out several times by the opponents of this epistemic interpretation, it is difficult to reconcile this point of view with our common notion of “physical reality”, which exists independently of our monitoring, and can be discovered without disturbance. Indeed, if quantum theory is correct, it should apply to classical systems—including measurement devices—as well as to any other system. In this dissertation, we will study the quantum mechanisms responsible for our perception of the world and demonstrate how they lead to the emergence of an operational objective reality from within quantum theory: several observers gathering information through these mechanisms will arrive at a common consensus about the properties of the world. The two mechanisms we study in great detail are the redundant proliferation of information in ...

  20. Light-cone Wilson loop in classical lattice gauge theory

    CERN Document Server

    Laine, M

    2013-01-01

    The transverse broadening of an energetic jet passing through a non-Abelian plasma is believed to be described by the thermal expectation value of a light-cone Wilson loop. In this exploratory study, we measure the light-cone Wilson loop with classical lattice gauge theory simulations. We observe, as suggested by previous studies, that there are strong interactions already at short transverse distances, which may lead to more efficient jet quenching than in leading-order perturbation theory. We also verify that the asymptotics of the Wilson loop do not change qualitatively when crossing the light cone, which supports arguments in the literature that infrared contributions to jet quenching can be studied with dimensionally reduced simulations in the space-like domain. Finally we speculate on possibilities for full four-dimensional lattice studies of the same observable, perhaps by employing shifted boundary conditions in order to simulate ensembles boosted by an imaginary velocity.

  1. Marshaling Resources: A Classic Grounded Theory Study of Online Learners

    Directory of Open Access Journals (Sweden)

    Barbara Yalof

    2014-06-01

    Full Text Available Classic grounded theory (CGT was used to identify a main concern of online students in higher education. One of the main impediments to studying online is a sense of isolation and lack of access to support systems as students navigate through complex requirements of their online programs. Hypothetical probability statements illustrate the imbalance between heightened needs of virtual learners and perceived inadequate support provided by educational institutions. The core variable, marshaling resources, explains how peer supports sustain motivation toward successful program completion. Understanding the critical contribution virtual interpersonal networks make towards maximizing resources by group problem solving is a significant aspect of this theory. Keywords: Online learning, e-learning, personal learning networks, peer networks

  2. Phase-field modeling of submonolayer growth with the modulated nucleation regime

    Energy Technology Data Exchange (ETDEWEB)

    Dong, X.L.; Xing, H.; Chen, C.L., E-mail: chenchl@nwpu.edu.cn; Wang, J.Y.; Jin, K.X.

    2015-10-16

    In this letter, we perform the phase-field simulations to investigate nucleation regime of submonolayer growth via a quantified nucleation term. Results show that the nucleation related kinetic coefficients have changed the density of islands and critical sizes to modulate the nucleation regime. The scaling behavior of the island density can be agreed with the classical theory only when effects of modulations have been quantified. We expect to produce the quantitative descriptions of nucleation for submonolayer growth in phase-field models. - Highlights: • The phase-field simulations are systematically compared with the classical nucleation rate theory. • The modulations of nucleation regime by the different kinetic coefficients have been studied. • Appropriate kinetic coefficients contribute to the agreed nucleation regime with the scaling law.

  3. A Classical Theory of the Anomalous Zeeman Effect

    Science.gov (United States)

    Espinosa, James; Woodyard, James

    2010-10-01

    Over a hundred years ago, it was discovered that spectral lines were shifted by magnetic fields. Lorentz was able to explain a small set of phenomena that was ironically called the normal Zeeman effect. It took more than twenty years for Lande to arrive at a vector model of the atom to explain the majority of shiftings called the anomalous Zeeman effect. Within a couple of years, Uhlenbeck and Goudsmit introduced the idea of a spinning electron that would give an underlying explanation of the vector model rules. It is generally taught that without the concept of spin there can be no explanation of all the spectral splittings caused by a magnetic field. We will present a purely classical model developed by Woldemar Voigt to describe the most famous anomalous splitting, the sodium D line. In addition, his theory correctly describes the transition from the weak field state to the strong one, called the Paschen-Back effect. We will show how his theory matches well with our classical picture of the atom.

  4. Quiver theories for moduli spaces of classical group nilpotent orbits

    Science.gov (United States)

    Hanany, Amihay; Kalveks, Rudolph

    2016-06-01

    We approach the topic of Classical group nilpotent orbits from the perspective of the moduli spaces of quivers, described in terms of Hilbert series and generating functions. We review the established Higgs and Coulomb branch quiver theory constructions for A series nilpotent orbits. We present systematic constructions for BCD series nilpotent orbits on the Higgs branches of quiver theories defined by canonical partitions; this paper collects earlier work into a systematic framework, filling in gaps and providing a complete treatment. We find new Coulomb branch constructions for above minimal nilpotent orbits, including some based upon twisted affine Dynkin diagrams. We also discuss aspects of 3 d mirror symmetry between these Higgs and Coulomb branch constructions and explore dualities and other relationships, such as HyperKähler quotients, between quivers. We analyse all Classical group nilpotent orbit moduli spaces up to rank 4 by giving their unrefined Hilbert series and the Highest Weight Generating functions for their decompositions into characters of irreducible representations and/or Hall Littlewood polynomials.

  5. Nucleation Kinetics of Cis-Entacapone

    OpenAIRE

    Škalec Šamec, D.; Meštrović, E.; Sander, A.

    2012-01-01

    The solubility curve and the metastable zone width for the system cis-entacapone –2-propanol have been determined in defined process conditions. These results along with values of induction period for the constant feed concentration at different levels of supersaturation were used for evaluating interfacial energy according to the classical nucleation theory. The results obtained were used for calculation of the critical nucleus size, nucleation rate, and prediction of crystal growth mecha...

  6. Latfield2: A c++ library for classical lattice field theory

    CERN Document Server

    David, Daverio; Bevis, Neil

    2015-01-01

    latfield2 is a C++ library designed to simplify writing parallel codes for solving partial differen- tial equations, developed for application to classical field theories in particle physics and cosmology. It is a significant rewrite of the latfield framework, moving from a slab domain decomposition to a rod decomposition, where the last two dimension of the lattice are scattered into a two dimensional process grid. Parallelism is implemented using the Message Passing Interface (MPI) standard, and hidden in the basic objects of grid-based simulations: Lattice, Site and Field. It comes with an integrated parallel fast Fourier transform, and I/O server class permitting computation to continue during the writing of large files to disk. latfield2 has been used for production runs on tens of thousands of processor elements, and is expected to be scalable to hundreds of thousands.

  7. Geometry of Lagrangian First-order Classical Field Theories

    CERN Document Server

    Echeverría-Enríquez, A; Román-Roy, N; Echeverr\\'ia-Enr\\'iquez, Arturo; Muñoz-Lecanda, Miguel C.; Román-Roy, Narciso

    1996-01-01

    We construct a lagrangian geometric formulation for first-order field theories using the canonical structures of first-order jet bundles, which are taken as the phase spaces of the systems in consideration. First of all, we construct all the geometric structures associated with a first-order jet bundle and, using them, we develop the lagrangian formalism, defining the canonical forms associated with a lagrangian density and the density of lagrangian energy, obtaining the {\\sl Euler-Lagrange equations} in two equivalent ways: as the result of a variational problem and developing the {\\sl jet field formalism} (which is a formulation more similar to the case of mechanical systems). A statement and proof of Noether's theorem is also given, using the latter formalism. Finally, some classical examples are briefly studied.

  8. Classical mechanics including an introduction to the theory of elasticity

    CERN Document Server

    Hentschke, Reinhard

    2017-01-01

    This textbook teaches classical mechanics as one of the foundations of physics. It describes the mechanical stability and motion in physical systems ranging from the molecular to the galactic scale. Aside from the standard topics of mechanics in the physics curriculum, this book includes an introduction to the theory of elasticity and its use in selected modern engineering applications, e.g. dynamic mechanical analysis of viscoelastic materials. The text also covers many aspects of numerical mechanics, ranging from the solution of ordinary differential equations, including molecular dynamics simulation of many particle systems, to the finite element method. Attendant Mathematica programs or parts thereof are provided in conjunction with selected examples. Numerous links allow the reader to connect to related subjects and research topics. Among others this includes statistical mechanics (separate chapter), quantum mechanics, space flight, galactic dynamics, friction, and vibration spectroscopy. An introductory...

  9. Complex analysis fundamentals of the classical theory of functions

    CERN Document Server

    Stalker, John

    1998-01-01

    This clear, concise introduction to the classical theory of one complex variable is based on the premise that "anything worth doing is worth doing with interesting examples." The content is driven by techniques and examples rather than definitions and theorems. This self-contained monograph is an excellent resource for a self-study guide and should appeal to a broad audience. The only prerequisite is a standard calculus course. The first chapter deals with a beautiful presentation of special functions. . . . The third chapter covers elliptic and modular functions. . . in much more detail, and from a different point of view, than one can find in standard introductory books. . . . For [the] subjects that are omitted, the author has suggested some excellent references for the reader who wants to go through these topics. The book is read easily and with great interest. It can be recommended to both students as a textbook and to mathematicians and physicists as a useful reference. ---Mathematical Reviews Mainly or...

  10. A numerical efficient way to minimize classical density functional theory.

    Science.gov (United States)

    Edelmann, Markus; Roth, Roland

    2016-02-21

    The minimization of the functional of the grand potential within the framework of classical density functional theory in three spatial dimensions can be numerically very demanding. The Picard iteration, that is often employed, is very simple and robust but can be rather slow. While a number of different algorithms for optimization problems have been suggested, there is still great need for additional strategies. Here, we present an approach based on the limited memory Broyden algorithm that is efficient and relatively simple to implement. We demonstrate the performance of this algorithm with the minimization of an inhomogeneous bulk structure of a fluid with competing interactions. For the problems we studied, we find that the presented algorithm improves performance by roughly a factor of three.

  11. Principles of physics from quantum field theory to classical mechanics

    CERN Document Server

    Jun, Ni

    2014-01-01

    This book starts from a set of common basic principles to establish the formalisms in all areas of fundamental physics, including quantum field theory, quantum mechanics, statistical mechanics, thermodynamics, general relativity, electromagnetic field, and classical mechanics. Instead of the traditional pedagogic way, the author arranges the subjects and formalisms in a logical-sequential way, i.e. all the formulas are derived from the formulas before them. The formalisms are also kept self-contained. Most of the required mathematical tools are also given in the appendices. Although this book covers all the disciplines of fundamental physics, the book is concise and can be treated as an integrated entity. This is consistent with the aphorism that simplicity is beauty, unification is beauty, and thus physics is beauty. The book may be used as an advanced textbook by graduate students. It is also suitable for physicists who wish to have an overview of fundamental physics. Readership: This is an advanced gradua...

  12. Classical morphology of plants as an elementary instance of classical invariant theory.

    Directory of Open Access Journals (Sweden)

    Evgeny V Mavrodiev

    Full Text Available It has long been known that structural chemistry shows an intriguing correspondence with Classical Invariant Theory (CIT. Under this view, an algebraic binary form of the degree n corresponds to a chemical atom with valence n and each physical molecule or ion has an invariant-theoretic counterpart. This theory was developed using the Aronhold symbolical approach and the symbolical processes of convolution/transvection in CIT was characterized as a potential "accurate morphological method". However, CIT has not been applied to the formal morphology of living organisms. Based on the morphological interpretation of binary form, as well as the process of convolution/transvection, the First and Second Fundamental Theorems of CIT and the Nullforms of CIT, we show how CIT can be applied to the structure of plants, especially when conceptualized as a series of plant metamers (phytomers. We also show that the weight of the covariant/invariant that describes a morphological structure is a criterion of simplicity and, therefore, we argue that this allows us to formulate a parsimonious method of formal morphology. We demonstrate that the "theory of axilar bud" is the simplest treatment of the grass seedling/embryo. Our interpretations also represent Troll's bauplan of the angiosperms, the principle of variable proportions, morphological misfits, the basic types of stem segmentation, and Goethe's principle of metamorphosis in terms of CIT. Binary forms of different degrees might describe any repeated module of plant organisms. As bacteria, invertebrates, and higher vertebrates are all generally shared a metameric morphology, wider implications of the proposed symmetry between CIT and formal morphology of plants are apparent.

  13. Fundamental Elements and Interactions of Nature: A Classical Unification Theory

    Directory of Open Access Journals (Sweden)

    Tianxi Zhang

    2010-04-01

    Full Text Available A classical unification theory that completely unifies all the fundamental interactions of nature is developed. First, the nature is suggested to be composed of the following four fundamental elements: mass, radiation, electric charge, and color charge. All known types of matter or particles are a combination of one or more of the four fundamental elements. Photons are radiation; neutrons have only mass; protons have both mass and electric charge; and quarks contain mass, electric charge, and color charge. The nature fundamental interactions are interactions among these nature fundamental elements. Mass and radiation are two forms of real energy. Electric and color charges are considered as two forms of imaginary energy. All the fundamental interactions of nature are therefore unified as a single interaction between complex energies. The interaction between real energies is the gravitational force, which has three types: mass-mass, mass-radiation, and radiation-radiation interactions. Calculating the work done by the mass-radiation interaction on a photon derives the Einsteinian gravitational redshift. Calculating the work done on a photon by the radiation-radiation interaction derives a radiation redshift, which is much smaller than the gravitational redshift. The interaction between imaginary energies is the electromagnetic (between electric charges, weak (between electric and color charges, and strong (between color charges interactions. In addition, we have four imaginary forces between real and imaginary energies, which are mass-electric charge, radiation-electric charge, mass-color charge, and radiation-color charge interactions. Among the four fundamental elements, there are ten (six real and four imaginary fundamental interactions. This classical unification theory deepens our understanding of the nature fundamental elements and interactions, develops a new concept of imaginary energy for electric and color charges, and provides a

  14. Fundamental Elements and Interactions of Nature: A Classical Unification Theory

    Directory of Open Access Journals (Sweden)

    Zhang T. X.

    2010-04-01

    Full Text Available A classical unification theory that completely unifies all the fundamental interactions of nature is developed. First, the nature is suggested to be composed of the following four fundamental elements: mass, radiation, electric charge, and color charge. All known types of matter or particles are a combination of one or more of the four fundamental elements. Photons are radiation; neutrons have only mass; protons have both mass and electric charge; and quarks contain mass, electric charge, and color charge. The nature fundamental interactions are interactions among these nature fundamental elements. Mass and radiation are two forms of real energy. Electric and color charges are con- sidered as two forms of imaginary energy. All the fundamental interactions of nature are therefore unified as a single interaction between complex energies. The interac- tion between real energies is the gravitational force, which has three types: mass-mass, mass-radiation, and radiation-radiation interactions. Calculating the work done by the mass-radiation interaction on a photon derives the Einsteinian gravitational redshift. Calculating the work done on a photon by the radiation-radiation interaction derives a radiation redshift, which is much smaller than the gravitational redshift. The interaction between imaginary energies is the electromagnetic (between electric charges, weak (between electric and color charges, and strong (between color charges interactions. In addition, we have four imaginary forces between real and imaginary energies, which are mass-electric charge, radiation-electric charge, mass-color charge, and radiation- color charge interactions. Among the four fundamental elements, there are ten (six real and four imaginary fundamental interactions. This classical unification theory deep- ens our understanding of the nature fundamental elements and interactions, develops a new concept of imaginary energy for electric and color charges, and provides a

  15. On the Classical String Solutions and String/Field Theory Duality

    OpenAIRE

    Aleksandrova, D.; Bozhilov, P.

    2003-01-01

    We classify almost all classical string configurations, considered in the framework of the semi-classical limit of the string/gauge theory duality. Then, we describe a procedure for obtaining the conserved quantities and the exact classical string solutions in general string theory backgrounds, when the string embedding coordinates depend non-linearly on the worldsheet time parameter.

  16. A course in mathematical physics 2 classical field theory

    CERN Document Server

    Thirring, Walter

    1978-01-01

    In the past decade the language and methods ofmodern differential geometry have been increasingly used in theoretical physics. What seemed extravagant when this book first appeared 12 years ago, as lecture notes, is now a commonplace. This fact has strengthened my belief that today students of theoretical physics have to learn that language-and the sooner the better. Afterall, they willbe the professors ofthe twenty-first century and it would be absurd if they were to teach then the mathematics of the nineteenth century. Thus for this new edition I did not change the mathematical language. Apart from correcting some mistakes I have only added a section on gauge theories. In the last decade it has become evident that these theories describe fundamental interactions, and on the classical level their structure is suffi­ cientlyclear to qualify them for the minimum amount ofknowledge required by a theoretician. It is with much regret that I had to refrain from in­ corporating the interesting developments in Kal...

  17. A Brownian Model for Crystal Nucleation

    CERN Document Server

    Durán-Olivencia, Miguel A

    2013-01-01

    In this work a phenomenological Stochastic Differential Equation (SDE) is proposed for modelling the time-evolution of the radius of a pre-critical molecular cluster during nucleation (the classical order parameter). Such a SDE constitutes the basis for the calculation of the (nucleation) induction time under the Kramers' theory of thermally activated escape processes. Considering the nucleation stage as a Poisson's rare-event, analytical expressions for the induction time statistics are deduced for both steady and unsteady conditions, the latter assuming the semiadiabatic limit. These expressions can be used to identify the underlying mechanism of molecular cluster formation (distinguishing between homogeneous or heterogeneous nucleation from the nucleation statistics is possible) as well as to predict induction times and induction time distributions. The predictions of this model are in good agreement with experimentally measured induction times at constant temperature but agreement is not so good for induc...

  18. Applications of Generalizability Theory and Their Relations to Classical Test Theory and Structural Equation Modeling.

    Science.gov (United States)

    Vispoel, Walter P; Morris, Carrie A; Kilinc, Murat

    2017-01-23

    Although widely recognized as a comprehensive framework for representing score reliability, generalizability theory (G-theory), despite its potential benefits, has been used sparingly in reporting of results for measures of individual differences. In this article, we highlight many valuable ways that G-theory can be used to quantify, evaluate, and improve psychometric properties of scores. Our illustrations encompass assessment of overall reliability, percentages of score variation accounted for by individual sources of measurement error, dependability of cut-scores for decision making, estimation of reliability and dependability for changes made to measurement procedures, disattenuation of validity coefficients for measurement error, and linkages of G-theory with classical test theory and structural equation modeling. We also identify computer packages for performing G-theory analyses, most of which can be obtained free of charge, and describe how they compare with regard to data input requirements, ease of use, complexity of designs supported, and output produced. (PsycINFO Database Record

  19. On the Relationship between Classical Test Theory and Item Response Theory: From One to the Other and Back

    Science.gov (United States)

    Raykov, Tenko; Marcoulides, George A.

    2016-01-01

    The frequently neglected and often misunderstood relationship between classical test theory and item response theory is discussed for the unidimensional case with binary measures and no guessing. It is pointed out that popular item response models can be directly obtained from classical test theory-based models by accounting for the discrete…

  20. On covariant Poisson brackets in classical field theory

    Energy Technology Data Exchange (ETDEWEB)

    Forger, Michael [Instituto de Matemática e Estatística, Universidade de São Paulo, Caixa Postal 66281, BR–05315-970 São Paulo, SP (Brazil); Salles, Mário O. [Instituto de Matemática e Estatística, Universidade de São Paulo, Caixa Postal 66281, BR–05315-970 São Paulo, SP (Brazil); Centro de Ciências Exatas e da Terra, Universidade Federal do Rio Grande do Norte, Campus Universitário – Lagoa Nova, BR–59078-970 Natal, RN (Brazil)

    2015-10-15

    How to give a natural geometric definition of a covariant Poisson bracket in classical field theory has for a long time been an open problem—as testified by the extensive literature on “multisymplectic Poisson brackets,” together with the fact that all these proposals suffer from serious defects. On the other hand, the functional approach does provide a good candidate which has come to be known as the Peierls–De Witt bracket and whose construction in a geometrical setting is now well understood. Here, we show how the basic “multisymplectic Poisson bracket” already proposed in the 1970s can be derived from the Peierls–De Witt bracket, applied to a special class of functionals. This relation allows to trace back most (if not all) of the problems encountered in the past to ambiguities (the relation between differential forms on multiphase space and the functionals they define is not one-to-one) and also to the fact that this class of functionals does not form a Poisson subalgebra.

  1. Prequantum Classical Statistical Field Theory: Schrödinger Dynamics of Entangled Systems as a Classical Stochastic Process

    Science.gov (United States)

    Khrennikov, Andrei

    2011-03-01

    The idea that quantum randomness can be reduced to randomness of classical fields (fluctuating at time and space scales which are essentially finer than scales approachable in modern quantum experiments) is rather old. Various models have been proposed, e.g., stochastic electrodynamics or the semiclassical model. Recently a new model, so called prequantum classical statistical field theory (PCSFT), was developed. By this model a "quantum system" is just a label for (so to say "prequantum") classical random field. Quantum averages can be represented as classical field averages. Correlations between observables on subsystems of a composite system can be as well represented as classical correlations. In particular, it can be done for entangled systems. Creation of such classical field representation demystifies quantum entanglement. In this paper we show that quantum dynamics (given by Schrödinger's equation) of entangled systems can be represented as the stochastic dynamics of classical random fields. The "effect of entanglement" is produced by classical correlations which were present at the initial moment of time, cf. views of Albert Einstein.

  2. Shifting the Quantum-Classical Boundary: Theory and Experiment for Statistically Classical Optical Fields

    CERN Document Server

    Qian, Xiao-Feng; Howell, John C; Eberly, J H

    2015-01-01

    The growing recognition that entanglement is not exclusively a quantum property, and does not even originate with Schr\\"odinger's famous remark about it [Proc. Camb. Phil. Soc. {\\bf 31}, 555 (1935)], prompts examination of its role in marking the quantum-classical boundary. We have done this by subjecting correlations of classical optical fields to new Bell-analysis experiments, and report here values of the Bell parameter greater than ${\\cal B} = 2.54$. This is many standard deviations outside the limit ${\\cal B} = 2$ established by the Clauser-Horne-Shimony-Holt (CHSH) Bell inequality [Phys. Rev. Lett. {\\bf 23}, 880 (1969)], in agreement with our theoretical classical prediction, and not far from the Tsirelson limit ${\\cal B} = 2.828...$. These results cast a new light on the standard quantum-classical boundary description, and suggest a reinterpretation of it.

  3. a Model of Interacting Microclusters for Nucleation Theory; a Polynomial Solution for Discrete Coagulation Equation.

    Science.gov (United States)

    Kobraei, Hamid Reza

    This dissertation consists of two parts. The first part deals with a model of physical clusters; the second part is about a solution for the coagulation equation. Part I. A model is suggested for the microscopic theory of homogeneous nucleation. In this model, which will be referred to as the interacting monomers and clusters, in addition to the internal structure which is similar to the atomistic model, the interactions between monomers and clusters are taken into account. The calculation of the configuration integral is made possible by extending the method of correlation function to apply to the interacting monomers and clusters model. The formation energy of a cluster and the equilibrium concentration of clusters, which are necessary for obtaining the nucleation rate, have been calculated. The behavior of the interacting monomers and clusters model is studied for the ideal case; where there is no interaction between clusters and monomers, the results in this case are identical to those found in the atomistic model. Additionally, this model reduces to a system of an imperfect gas when there are only monomers in the system. The formation energy of a cluster in the interacting monomers and clusters and in the atomistic model for the Lennard-Jones potential has been compared. Part II. A solution of the Tambour-Seinfeld approximation of the discrete coagulation equation with variable collision frequency is given. The solution is a polynomial in the Martynov-Bakanov-Golovin-Scott (MBGS) time variable. The coefficients of the polynomial are calculated by a simple recursion relation for an arbitrary collision frequency function and arbitrary initial conditions. The solution also applies to a constant collision frequency. For this case, we express the coefficients of the polynomial as a function of the initial values of the distribution. For the case of the constant collision frequency, we find a recursion relation which relates a number density of size (j) to number

  4. A reappraisal of classical archetype theory and its implications for theory and practice.

    Science.gov (United States)

    Merchant, John

    2009-06-01

    This paper begins with an overview of contemporary approaches to archetype theory and notes the radical nature of certain deductions. Some argue that there is no 'archetype-as-such' as a pre-existing entity at the core of a complex driving its formation whilst the findings of current neuroscience are calling into question one very thing on which the classical theory is built--innatism. Knox's argument for image schemas raises the question as to the extent to which archetypes can be conceived in any preformationist sense. The question is then posed--to what extent can Jung's classical theory of archetypes be read in light of these current models? The case examples Jung uses to evidence the existence of archetypes, his explications of synchronicity and his own Philemon experience are then reappraised. The conclusion is drawn that it is difficult to evidence the existence of autonomous archetypes unrelated to personal affective experience. Not only would this be expected by emergent/developmental models of archetype but it can explain many of Jung's disjunctive statements about archetype constellation; the difficulties in separating personal and collective psychic content and Jung's apparent Lamarckianism. The implications of these models for theory, clinical practice and analyst training are then offered for discussion.

  5. Investigation of vapour-liquid nucleation properties for spherical and chain-like fluids by density functional theory

    Institute of Scientific and Technical Information of China (English)

    Fu Dong; Liao Tao

    2007-01-01

    The excess Helmholtz free energy functional for nonpolar chain-like molecules is formulated in terms of a weighted density approximation (WDA) for short-range interactions and a Weaks-Chandler-Andersen (WCA) approximation and a Barker-Henderson (BH) theory for long-range attraction. Within the framework of density functional theory (DFT), vapour-liquid interfacial properties including density profile and surface tension, and vapour-liquid nucleation properties including density profile, work of formation and number of particles are investigated for spherical and chainlike molecules. The obtained vapour-liquid surface tension and the number of particles in critical nucleus for LennardJones (L J) fluids are consistent with the simulation results. The influences of supersaturation, temperature and chain length on vapour-liquid nucleation properties are discussed.

  6. Dressing the Post-Newtonian two-body problem and Classical Effective Field Theory

    CERN Document Server

    Kol, Barak

    2009-01-01

    We apply a dressed perturbation theory to better organize and economize the computation of high orders of the 2-body effective action of an inspiralling Post-Newtonian gravitating binary. We use the effective field theory approach with the non-relativistic field decomposition (NRG fields). For that purpose we develop quite generally the dressing theory of a non-linear classical field theory coupled to point-like sources. We introduce dressed charges and propagators, but unlike the quantum theory there are no dressed bulk vertices. The dressed quantities are found to obey recursive integral equations which succinctly encode parts of the diagrammatic expansion, and are the classical version of the Schwinger-Dyson equations. Actually, the classical equations are somewhat stronger since they involve only finitely many quantities, unlike the quantum theory. Classical diagrams are shown to factorize exactly when they contain non-linear world-line vertices, and we classify all the possible topologies of irreducible ...

  7. Non-classical continuum theory for solids incorporating internal rotations and rotations of Cosserat theories

    Science.gov (United States)

    Surana, K. S.; Joy, A. D.; Reddy, J. N.

    2017-03-01

    This paper presents a non-classical continuum theory in Lagrangian description for solids in which the conservation and the balance laws are derived by incorporating both the internal rotations arising from the Jacobian of deformation and the rotations of Cosserat theories at a material point. In particular, in this non-classical continuum theory, we have (i) the usual displacements ( ±b \\varvec{u}) and (ii) three internal rotations ({}_i ±b \\varvec{Θ}) about the axes of a triad whose axes are parallel to the x-frame arising from the Jacobian of deformation (which are completely defined by the skew-symmetric part of the Jacobian of deformation), and (iii) three additional rotations ({}_e ±b \\varvec{Θ}) about the axes of the same triad located at each material point as additional three degrees of freedom referred to as Cosserat rotations. This gives rise to ±b \\varvec{u} and {}_e ±b \\varvec{{Θ} as six degrees of freedom at a material point. The internal rotations ({}_i ±b \\varvec{Θ}), often neglected in classical continuum mechanics, exist in all deforming solid continua as these are due to Jacobian of deformation. When the internal rotations {}_i ±b \\varvec{Θ} are resisted by the deforming matter, conjugate moment tensor arises that together with {}_i ±b \\varvec{Θ} may result in energy storage and/or dissipation, which must be accounted for in the conservation and the balance laws. The Cosserat rotations {}_e ±b \\varvec{Θ} also result in conjugate moment tensor which, together with {}_e ±b \\varvec{Θ}, may also result in energy storage and/or dissipation. The main focus of the paper is a consistent derivation of conservation and balance laws that incorporate aforementioned physics and associated constitutive theories for thermoelastic solids. The mathematical model derived here has closure, and the constitutive theories derived using two alternate approaches are in agreement with each other as well as with the condition resulting from the

  8. A critical experimental study of the classical tactile threshold theory

    Directory of Open Access Journals (Sweden)

    Medina Leonel E

    2010-06-01

    Full Text Available Abstract Background The tactile sense is being used in a variety of applications involving tactile human-machine interfaces. In a significant number of publications the classical threshold concept plays a central role in modelling and explaining psychophysical experimental results such as in stochastic resonance (SR phenomena. In SR, noise enhances detection of sub-threshold stimuli and the phenomenon is explained stating that the required amplitude to exceed the sensory threshold barrier can be reached by adding noise to a sub-threshold stimulus. We designed an experiment to test the validity of the classical vibrotactile threshold. Using a second choice experiment, we show that individuals can order sensorial events below the level known as the classical threshold. If the observer's sensorial system is not activated by stimuli below the threshold, then a second choice could not be above the chance level. Nevertheless, our experimental results are above that chance level contradicting the definition of the classical tactile threshold. Results We performed a three alternative forced choice detection experiment on 6 subjects asking them first and second choices. In each trial, only one of the intervals contained a stimulus and the others contained only noise. According to the classical threshold assumptions, a correct second choice response corresponds to a guess attempt with a statistical frequency of 50%. Results show an average of 67.35% (STD = 1.41% for the second choice response that is not explained by the classical threshold definition. Additionally, for low stimulus amplitudes, second choice correct detection is above chance level for any detectability level. Conclusions Using a second choice experiment, we show that individuals can order sensorial events below the level known as a classical threshold. If the observer's sensorial system is not activated by stimuli below the threshold, then a second choice could not be above the chance

  9. How some infinities cause problems in classical physical theories

    NARCIS (Netherlands)

    Atkinson, David; Peijnenburg, Jeanne; Allo, P.; van Kerhove, B.

    2014-01-01

    In this paper we review a 1992 excursion of Jean Paul Van Bendegem into physics, ‘How Infinities Cause Problems in Classical Physical Theories’, in the light of two later models concerning colliding balls, of Pérez Laraudogoitia and of Alper and Bridger, respectively. We show that Van Bendegem antic

  10. Homology of classical groups and K-theory

    NARCIS (Netherlands)

    Mirzaii, B.

    2004-01-01

    The study of the homology groups of classical group over a ring R with coefficient A, where A is a commutative ring with trivial group action, seems important, notably because of their close relation to algebraic and Hermitian Ktheory and their appearance in the study of scissors congruence of polyh

  11. On the concept of Bell’s local causality in local classical and quantum theory

    Energy Technology Data Exchange (ETDEWEB)

    Hofer-Szabó, Gábor, E-mail: szabo.gabor@btk.mta.hu [Research Center for the Humanities, Budapest (Hungary); Vecsernyés, Péter, E-mail: vecsernyes.peter@wigner.mta.hu [Wigner Research Centre for Physics, Budapest (Hungary)

    2015-03-15

    The aim of this paper is to implement Bell’s notion of local causality into a framework, called local physical theory. This framework, based on the axioms of algebraic field theory, is broad enough to integrate both probabilistic and spatiotemporal concepts and also classical and quantum theories. Bell’s original idea of local causality will arise as the classical case of our definition. Classifying local physical theories by whether they obey local primitive causality, a property rendering the dynamics of the theory causal, we then investigate what is needed for a local physical theory to be locally causal. Finally, comparing local causality with the common cause principles and relating both to the Bell inequalities we find a nice parallelism: Bell inequalities cannot be derived neither from local causality nor from a common cause unless the local physical theory is classical or the common cause is commuting, respectively.

  12. Multiscale approach to CO2 hydrate formation in aqueous solution: phase field theory and molecular dynamics. Nucleation and growth.

    Science.gov (United States)

    Tegze, György; Pusztai, Tamás; Tóth, Gyula; Gránásy, László; Svandal, Atle; Buanes, Trygve; Kuznetsova, Tatyana; Kvamme, Bjorn

    2006-06-21

    A phase field theory with model parameters evaluated from atomistic simulations/experiments is applied to predict the nucleation and growth rates of solid CO(2) hydrate in aqueous solutions under conditions typical to underwater natural gas hydrate reservoirs. It is shown that under practical conditions a homogeneous nucleation of the hydrate phase can be ruled out. The growth rate of CO(2) hydrate dendrites has been determined from phase field simulations as a function of composition while using a physical interface thickness (0.85+/-0.07 nm) evaluated from molecular dynamics simulations. The growth rate extrapolated to realistic supersaturations is about three orders of magnitude larger than the respective experimental observation. A possible origin of the discrepancy is discussed. It is suggested that a kinetic barrier reflecting the difficulties in building the complex crystal structure is the most probable source of the deviations.

  13. Theory of elites in classical and contemporary political sociology

    OpenAIRE

    Pavlović, Vukašin

    2011-01-01

    The text consists of three parts. The first one analyses classical concepts of elites in the works of Gaetano Mosca, Vilfredo Pareto and Robert Michels. The second part presents and analyses new concepts of elites given in the works by Karl Mannheim, Joseph Schumpeter, James Burnham, Milovan Đilas, Wright Mills, Tom Bottomore, John Kenneth Galbraith, Raymond Aron. The third, concluding part, considers the relation between democracy and elitism.

  14. Homogeneous vs. heterogeneous nucleation in water-dicarboxylic acid systems

    Directory of Open Access Journals (Sweden)

    A. I. Hienola

    2008-10-01

    Full Text Available Binary heterogeneous nucleation of water-succinic/glutaric/malonic/adipic acid on nanometer-sized particles is investigated within the frame of classical heterogeneous nucleation theory. Homogeneous nucleation is also included for comparison. It is found that the nucleation probabilities depend on the contact angle and on the size of the seed particles. New thermodynamical properties, such as saturation vapor pressure, density and surface tension for all the dicarboxylic acid aqueous solutions are included in the calculations. While the new surface tension and density formulations do not bring any significant difference in the computed nucleation rate for homogeneous nucleation for succinic and glutaric acids, the use of the newly derived equations for the vapor pressure decrease the acid concentrations in gas phase with 3 orders of magnitude. According to our calculations, the binary heterogeneous nucleation of succinic acid-water and glutaric acid-water – although it requires a 3–4 orders of magnitude lower vapor concentrations than the homogeneous nucleation – cannot take place in atmospheric conditions. On the other hand binary homogeneous nucleation of adipic acid-water systems might be possible in conditions occuring in upper boundary layer. However, a more detailed characterization of the interaction between the surface and the molecules of the nucleating vapor should be considered in the future.

  15. Imaging resolution signal-to-noise ratio in transverse phase amplification from classical information theory

    Energy Technology Data Exchange (ETDEWEB)

    French, Doug [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: french@purdue.edu; Huang Zun; Pao, H.-Y.; Jovanovic, Igor [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)

    2009-03-02

    A quantum phase amplifier operated in the spatial domain can improve the signal-to-noise ratio in imaging beyond the classical limit. The scaling of the signal-to-noise ratio with the gain of the quantum phase amplifier is derived from classical information theory.

  16. (Re)igniting a Sociological Imagination in Adult Education: The Continuing Relevance of Classical Theory

    Science.gov (United States)

    Lange, Elizabeth

    2015-01-01

    This article argues that sociology has been a foundational discipline for the field of adult education, but it has been largely implicit, until recently. This article contextualizes classical theories of sociology within contemporary critiques, reviews the historical roots of sociology and then briefly introduces the classical theories…

  17. Classical Kinetic Theory of Landau Damping for Self-interacting Scalar Fields in the Broken Phase

    OpenAIRE

    1998-01-01

    The classical kinetic theory of one-component self-interacting scalar fields is formulated in the broken symmetry phase and applied to the phenomenon of Landau damping. The domain of validity of the classical approach is found by comparing with the result of a 1-loop quantum calculation.

  18. Quantum Electrodynamics Basis of Classical-Field High-Harmonic Generation Theory

    Institute of Scientific and Technical Information of China (English)

    王兵兵; 高靓辉; 傅盘铭; 郭东升; R. R. Freeman

    2001-01-01

    From the nonperturbative quantum electrodynamics theory, we derive the Landau-Dykhne formula which represents the quantum-mechanical formulation of the three-step model. These studies provide a basis for the classical-field approaches to high-order harmonic generation and justify some assumptions used in classical-field modelling.

  19. Classical conformality in the Standard Model from Coleman’s theory

    Science.gov (United States)

    Kawana, Kiyoharu

    2016-09-01

    The classical conformality (CC) is one of the possible candidates for explaining the gauge hierarchy of the Standard Model (SM). We show that it is naturally obtained from the Coleman’s theory on baby universe.

  20. Asymptoticaly Confirmed Hypoteses Metod for the Construction of Micropolar and Classical Theories of Elastic Thin Shells

    Directory of Open Access Journals (Sweden)

    Sargsyan S.H.

    2014-03-01

    Full Text Available In the present paper, the system of equations of three-dimensional micropolar theory of elasticity, written down for thin shell as singularly perturbed with small geometric parameter system, is analyzed asymptotically: the internal iteration process and boundary layers are constructed, their interaction is studied, boundary conditions are obtained for each of them. Then, the main specific properties of the asymptotic solution accepting as hypotheses, general applied theory of micropolar elastic thin shells is constructed and it is shown that the constructed theory is asymptotically correct. Passing from the micropolar theory of thin shells to the classical theory, it is shown, that this applied classical theory of thin shells, when transverse shifts are taken into account, is asymptotically correct theory in relation to the other corrected theories of thin shells.

  1. Introduction of a Classical Level in Quantum Theory

    Science.gov (United States)

    Prosperi, G. M.

    2016-11-01

    In an old paper of our group in Milano a formalism was introduced for the continuous monitoring of a system during a certain interval of time in the framework of a somewhat generalized approach to quantum mechanics (QM). The outcome was a distribution of probability on the space of all the possible continuous histories of a set of quantities to be considered as a kind of coarse grained approximation to some ordinary quantum observables commuting or not. In fact the main aim was the introduction of a classical level in the context of QM, treating formally a set of basic quantities, to be considered as beables in the sense of Bell, as continuously taken under observation. However the effect of such assumption was a permanent modification of the Liouville-von Neumann equation for the statistical operator by the introduction of a dissipative term which is in conflict with basic conservation rules in all reasonable models we had considered. Difficulties were even encountered for a relativistic extension of the formalism. In this paper I propose a modified version of the original formalism which seems to overcome both difficulties. First I study the simple models of an harmonic oscillator and a free scalar field in which a coarse grain position and a coarse grained field respectively are treated as beables. Then I consider the more realistic case of spinor electrodynamics in which only certain coarse grained electric and magnetic fields are introduced as classical variables and no matter related quantities.

  2. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: II. Nucleation in the metastable liquid immiscibility region.

    Science.gov (United States)

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    In the second part of our paper, we address crystal nucleation in the metastable liquid miscibility region of eutectic systems that is always present, though experimentally often inaccessible. While this situation resembles the one seen in single component crystal nucleation in the presence of a metastable vapor-liquid critical point addressed in previous works, it is more complex because of the fact that here two crystal phases of significantly different compositions may nucleate. Accordingly, at a fixed temperature below the critical point, six different types of nuclei may form: two liquid-liquid nuclei: two solid-liquid nuclei; and two types of composite nuclei, in which the crystalline core has a liquid "skirt," whose composition falls in between the compositions of the solid and the initial liquid phases, in addition to nuclei with concentric alternating composition shells of prohibitively high free energy. We discuss crystalline phase selection via exploring/identifying the possible pathways for crystal nucleation.

  3. PREFACE: Classical density functional theory methods in soft and hard matter Classical density functional theory methods in soft and hard matter

    Science.gov (United States)

    Haataja, Mikko; Gránásy, László; Löwen, Hartmut

    2010-08-01

    , about a half of which are related to the theoretical materials science community and the other half came from the soft-matter community. We begin by discussing papers related to PFC. Diverse subjects related to the phase-field crystal model include exciting topics such as predicting/controlling the equilibrium phase behavior [19, 18, 17] and kinetics of epitaxial island formation on nano-membranes [20]. Moreover, phase-field crystal modeling has proved to be very successful in simulating homogeneous and heterogeneous crystal nucleation and growth, and several aspects of these phenomena are discussed in this issue [18, 21]. Finally, it is shown how to incorporate additional orientational degrees of freedom within the PFC approach to model liquid crystals [22]. On the DFT side, the other papers in this special issue deal with problems associated with advanced DFT techniques and applications. The existence of a structural instability in sub-critical crystalline fluctuations in a supercooled liquid within a square-gradient theory is discussed in [23]. Fundamental measure theory for hard-body systems is improved by discussing a correction term in detail, as discussed in [24]. A mean-field-like density functional for charges is applied to the effective interaction between charged colloids obtained within a cell model [25]. The remaining articles provide fundamental insight into how to supplement DDFT-type methods with hydrodynamics [26, 27], highlight the role of the projection operator technique in deriving dynamical density functional theories [28], and demonstrate how perturbation methods can be employed to compute the properties of solid-liquid interfaces [29]. This particular collection of papers demonstrates rather convincingly the significant potential that classical density functional techniques possess in modeling complex systems built of either soft or hard matter (or combinations thereof). While the PFC approach offers a simple and appealing means to simulate

  4. Anthropology and social theory: renewing dialogue via the classics

    DEFF Research Database (Denmark)

    Thomassen, Bjørn

    2011-01-01

    Agnes Horvath, Bjørn Thomassen, & Dr Harald Wydra, editors of the Journal,International Political Anthropology “Anthropology and social theory: renewing dialogue via the classics” This paper argues that anthropology may represent a perspective from where social theory can renew itself. The presen......Agnes Horvath, Bjørn Thomassen, & Dr Harald Wydra, editors of the Journal,International Political Anthropology “Anthropology and social theory: renewing dialogue via the classics” This paper argues that anthropology may represent a perspective from where social theory can renew itself....... The presentation therefore inserts itself within the history of a long conversation between anthropology and social theory. This discussion goes back at least to the Durkhemian school which saw the study of modern and "archaic" cultures as part and parcel of the same project. However, the disciplines of sociology...... with anthropology via the "cultural turn". Yet this elevated status of anthropology and its method has involved almost no engagement with the theoretical luggage found within the discipline of anthropology.Our premise is that the modern world may indeed not be so unique in all its features, and that it therefore...

  5. A course in mathematical physics 1 and 2 classical dynamical systems and classical field theory

    CERN Document Server

    Thirring, Walter

    1992-01-01

    The last decade has seen a considerable renaissance in the realm of classical dynamical systems, and many things that may have appeared mathematically overly sophisticated at the time of the first appearance of this textbook have since become the everyday tools of working physicists. This new edition is intended to take this development into account. I have also tried to make the book more readable and to eradicate errors. Since the first edition already contained plenty of material for a one­ semester course, new material was added only when some of the original could be dropped or simplified. Even so, it was necessary to expand the chap­ ter with the proof of the K-A-M Theorem to make allowances for the cur­ rent trend in physics. This involved not only the use of more refined mathe­ matical tools, but also a reevaluation of the word "fundamental. " What was earlier dismissed as a grubby calculation is now seen as the consequence of a deep principle. Even Kepler's laws, which determine the radii of the ...

  6. Quantization of light energy directly from classical electromagnetic theory in vacuum

    Institute of Scientific and Technical Information of China (English)

    She Wei-Long

    2005-01-01

    It is currently believed that light quantum or the quantization of light energy is beyond classical physics, and the picture of wave-particle duality, which was criticized by Einstein but has attracted a number of experimental researches, is necessary for the description of light. It is shown in this paper, however, that the quantization of light energy in vacuum, which is the same as that in quantum electrodynamics, can be derived directly from the classical electromagnetic theory through the consideration of statistics based on classical physics. Therefore, the quantization of energy is an intrinsic property of light as a classical electromagnetic wave and has no need of being related to particles.

  7. Classical versus Keynesian theory of unemployment : an approach to the Spanish labor market

    OpenAIRE

    Alonso Rodríguez, Rubén

    2015-01-01

    In the last decade the unemployment skyrocketed defining a dramatic landscape for the Spanish economy. In order to understand the root causes, I have revisited two theories widely extended in labor economics: The Classical Theory of Unemployment and the Keynesian Theory of Unemployment. Despite both conceptions are well known and supported by academic literature, in the Spanish case as in many other countries is still unclear what theory better adjust to reality. To solve this lack of clearne...

  8. k-Cosymplectic Classical Field Theories: Tulczyjew and Skinner-Rusk Formulations

    Science.gov (United States)

    Rey, Angel M.; Román-Roy, Narciso; Salgado, Modesto; Vilariño, Silvia

    2012-06-01

    The k-cosymplectic Lagrangian and Hamiltonian formalisms of first-order classical field theories are reviewed and completed. In particular, they are stated for singular and almost-regular systems. Subsequently, several alternative formulations for k-cosymplectic first-order field theories are developed: First, generalizing the construction of Tulczyjew for mechanics, we give a new interpretation of the classical field equations. Second, the Lagrangian and Hamiltonian formalisms are unified by giving an extension of the Skinner-Rusk formulation on classical mechanics.

  9. New views on classical and quantum Brans-Dicke theory

    CERN Document Server

    Fabris, Júlio C; Rodrigues, Davi C; Almeida, Carla R; Piattella, Oliver F

    2016-01-01

    The Brans-Dicke action is one of the most natural extensions of the Einstein-Hilbert action. It is based on the introduction of a fundamental scalar field that effectively incorporates a dynamics to the gravitational coupling $G$. In spite of the diverse motivations and the rich phenomenology that comes from its solutions, Solar System tests impose strong constraints on the Brans-Dicke theory, rendering it indistinguishable from General Relativity. In the present text, new perspectives for the Brans-Dicke theory are presented, based on the possibility that the scalar field presented in the BD theory can be external, as well as on the applications to black hole physics and the primordial universe.

  10. THE CONCEPT OF INTERNATIONAL TRADE AND MAIN CLASSIC THEORIES

    Directory of Open Access Journals (Sweden)

    Elena Ramona TERZEA

    2016-07-01

    Full Text Available Taking into account the major impact that international trade has on the economy and on the people’s lives, and considering its effects on the economic growth, the foreign commerce has to be well understood so that the commercial policies have to be well elaborated, implemented and followed. The theories of international trade are extremely important in order to determine the flows, but especially in the anticipation of the evolution of the forces that influences its dymanic. The theories regarding the foreign trade are used also by the big companies, by their managers, in their attempt to identify the most advantageous strategies of internationalizations, on the most promising markets.

  11. A class of exact classical solutions to string theory.

    Science.gov (United States)

    Coley, A A

    2002-12-31

    We show that the recently obtained class of spacetimes for which all of the scalar curvature invariants vanish (which can be regarded as generalizations of pp-wave spacetimes) are exact solutions in string theory to all perturbative orders in the string tension scale. As a result the spectrum of the theory can be explicitly obtained, and these spacetimes are expected to provide some hints for the study of superstrings on more general backgrounds. Since these Lorentzian spacetimes suffer no quantum corrections to all loop orders they may also offer insights into quantum gravity.

  12. Estimation of the nucleation rate by differential scanning calorimetry

    Science.gov (United States)

    Kelton, Kenneth F.

    1992-01-01

    A realistic computer model is presented for calculating the time-dependent volume fraction transformed during the devitrification of glasses, assuming the classical theory of nucleation and continuous growth. Time- and cluster-dependent nucleation rates are calculated by modeling directly the evolving cluster distribution. Statistical overlap in the volume fraction transformed is taken into account using the standard Johnson-Mehl-Avrami formalism. Devitrification behavior under isothermal and nonisothermal conditions is described. The model is used to demonstrate that the recent suggestion by Ray and Day (1990) that nonisothermal DSC studies can be used to determine the temperature for the peak nucleation rate, is qualitatively correct for lithium disilicate, the glass investigated.

  13. Foundations of the classical theory of partial differential equations

    CERN Document Server

    Egorov, Yu V

    1998-01-01

    From the reviews of the first printing, published as volume 30 of the Encyclopaedia of Mathematical Sciences: "... I think the volume is a great success and an excellent preparation for future volumes in the series. ... the introductory style of Egorov and Shubin is .. attractive. ... a welcome addition to the literature and I am looking forward to the appearance of more volumes of the Encyclopedia in the near future. ..." The Mathematical Intelligencer, 1993 "... According to the authors ... the work was written for nonspecialists and physicists but in my opinion almost every specialist will find something new ... in the text. The style is clear, the notations are chosen luckily. The most characteristic feature of the work is the accurate emphasis on the fundamental notions ..." Acta Scientiarum Mathematicarum, 1993 "... On the whole, a thorough overview on the classical aspects of the topic may be gained from that volume." Monatshefte für Mathematik, 1993 "... It is comparable in scope with the great Coura...

  14. Collaboration in classical political economy and noncooperative game theory.

    Science.gov (United States)

    McCain, Roger A

    2014-06-01

    This commentary suggests (1) that there are precedents for Smaldino's "collaboration" in the history of economic thought before 1900 and (2) that the distinction of collaboration from what is thought of as cooperation in game theory is less clear than Smaldino suggests.

  15. Quantum and classical theories of scattering of relativistic electrons in ultrathin crystals

    CERN Document Server

    Shulga, N F

    2016-01-01

    Quantum and classical theories are proposed of scattering of high energy electrons in ultrathin crystals. The quantum theory is based upon a special representation of the scattering amplitude in the form of the integral over the surface surrounding the crystal, and on the spectral method of determination of the wave function. The classical theory is based upon the solution of the equation of motion by numerical methods. The comparison is performed of quantum and classical differential cross-sections of scattering in the transitional range of crystal thicknesses, from those at which the channeling phenomenon is not developed up to those at which it is realized. It is shown that in this range of crystal thicknesses substantial difference of quantum and classical scattering cross-sections takes place for the electrons with the energy up to tens of MeV. With the energy increase such difference decreases but some quantum effects in scattering still remain.

  16. Theory and Analysis of Classic Heavy Metal Harmony

    OpenAIRE

    Lilja, Esa

    2009-01-01

    This thesis explores melodic and harmonic features of heavy metal, and while doing so, explores various methods of music analysis; their applicability and limitations regarding the study of heavy metal music. The study is built on three general hypotheses according to which 1) acoustic characteristics play a significant role for chord constructing in heavy metal, 2) heavy metal has strong ties and similarities with other Western musical styles, and 3) theories and analytical methods of Wester...

  17. Universality principle and the development of classical density functional theory

    Institute of Scientific and Technical Information of China (English)

    周世琦; 张晓琪

    2002-01-01

    The universality principle of the free energy density functional and the ‘test particle' trick by Percus are combined to construct the approximate free energy density functional or its functional derivative. Information about the bulk fluid ralial distribution function is integrated into the density functional approximation directly for the first time in the present methodology. The physical foundation of the present methodology also applies to the quantum density functional theory.

  18. Overview: Experimental studies of crystal nucleation: Metals and colloids

    Science.gov (United States)

    Herlach, Dieter M.; Palberg, Thomas; Klassen, Ina; Klein, Stefan; Kobold, Raphael

    2016-12-01

    Crystallization is one of the most important phase transformations of first order. In the case of metals and alloys, the liquid phase is the parent phase of materials production. The conditions of the crystallization process control the as-solidified material in its chemical and physical properties. Nucleation initiates the crystallization of a liquid. It selects the crystallographic phase, stable or meta-stable. Its detailed knowledge is therefore mandatory for the design of materials. We present techniques of containerless processing for nucleation studies of metals and alloys. Experimental results demonstrate the power of these methods not only for crystal nucleation of stable solids but in particular also for investigations of crystal nucleation of metastable solids at extreme undercooling. This concerns the physical nature of heterogeneous versus homogeneous nucleation and nucleation of phases nucleated under non-equilibrium conditions. The results are analyzed within classical nucleation theory that defines the activation energy of homogeneous nucleation in terms of the interfacial energy and the difference of Gibbs free energies of solid and liquid. The interfacial energy acts as barrier for the nucleation process. Its experimental determination is difficult in the case of metals. In the second part of this work we therefore explore the potential of colloidal suspensions as model systems for the crystallization process. The nucleation process of colloids is observed in situ by optical observation and ultra-small angle X-ray diffraction using high intensity synchrotron radiation. It allows an unambiguous discrimination of homogeneous and heterogeneous nucleation as well as the determination of the interfacial free energy of the solid-liquid interface. Our results are used to construct Turnbull plots of colloids, which are discussed in relation to Turnbull plots of metals and support the hypothesis that colloids are useful model systems to investigate crystal

  19. Atmospheric nucleation: highlights of the EUCAARI project and future directions

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen

    2010-11-01

    Full Text Available Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions, atmospheric nucleation was studied by (i developing and testing new air ion and cluster spectrometers, (ii conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii investigating atmospheric nucleation mechanism under field conditions, and (iv applying new theoretical and modelling tools for data interpretation and development of parameterisations. The current paper provides a synthesis of the obtained results and identifies the remaining major knowledge gaps related to atmospheric nucleation. The most important technical achievement of the project was the development of new instruments for measuring sub-3 nm particle populations, along with the extensive application of these instruments in both the laboratory and the field. All the results obtained during EUCAARI indicate that sulphuric acid plays a central role in atmospheric nucleation. However, also vapours other than sulphuric acid are needed to explain the nucleation and the subsequent growth processes, at least in continental boundary layers. Candidate vapours in this respect are some organic compounds, ammonia, and especially amines. Both our field and laboratory data demonstrate that the nucleation rate scales to the first or second power of the nucleating vapour concentration(s. This agrees with the few earlier field observations, but is in stark contrast with classical thermodynamic nucleation theories. The average formation rates of 2-nm particles were found to vary by almost two orders of magnitude between the different EUCAARI sites, whereas the formation rates of charged 2-nm particles varied very little between the sites. Overall, our observations are indicative of frequent, yet moderate, ion-induced nucleation usually outweighed by much stronger neutral nucleation events in the continental lower troposphere. The most concrete

  20. Classical light dispersion theory in a regular lattice

    Science.gov (United States)

    Marino, M.; Carati, A.; Galgani, L.

    2007-04-01

    We study the dynamics of an infinite regular lattice of classical charged oscillators. Each individual oscillator is described as a point particle subject to a harmonic restoring potential, to the retarded electromagnetic field generated by all the other particles, and to the radiation reaction expressed according to the Lorentz-Dirac equation. Exact normal mode solutions, describing the propagation of plane electromagnetic waves through the lattice, are obtained for the complete linearized system of infinitely many oscillators. At variance with all the available results, our method is valid for any values of the frequency, or of the ratio between wavelength and lattice parameter. A remarkable feature is that the proper inclusion of radiation reaction in the dynamics of the individual oscillators does not give rise to any extinction coefficient for the global normal modes of the lattice. The dispersion relations resulting from our solution are numerically studied for the case of a simple cubic lattice. New predictions are obtained in this way about the behavior of the crystal at frequencies near the proper oscillation frequency of the dipoles.

  1. Opportunizing: A classic grounded theory study on business and management

    Directory of Open Access Journals (Sweden)

    Ólavur Christiansen

    2006-11-01

    Full Text Available Opportunizing emerged as the core variable of this classic GT study on business and management. Opportunizing is the recurrent main concern that businesses have to continually resolve, and it explains how companies recurrently create, identify, seize or exploit situations to maintain their growth or survival. Opportunizing is the recurrent creation and re-creation of opportunities in business. Opportunizing is basically what business managers do and do all the time. The problematic nature of opportunizing is resolved by a core social process ofopportunizing and its attached sub-processes that account for change over time and for the variations of the problematic nature of its resolution.Opportunizing has five main facets. These are conditional befriending (confidence building & modifying behavior,prospecting (e.g. information gaining, weighing up (information appraisal & decision-making, moment capturing (quick intervention for seizing strategic opportunities, andconfiguration matching (adjusting the business organization to abet the other activities of opportunizing.On a more abstract level, opportunizing has three more organizational facets: the physically boundary-less, the valuehierarchical, and the physically bounded. The first of these called perpetual opportunizing. This emerges from the conjunction of conditional befriending and prospecting. The second facet is called triggering opportunizing. It arises from the coming together of weighing up and moment capturing. The final facet is called spasmodic opportunizing. This happens when moment capturing and configuration matching unite.

  2. Finite-block-length analysis in classical and quantum information theory.

    Science.gov (United States)

    Hayashi, Masahito

    2017-01-01

    Coding technology is used in several information processing tasks. In particular, when noise during transmission disturbs communications, coding technology is employed to protect the information. However, there are two types of coding technology: coding in classical information theory and coding in quantum information theory. Although the physical media used to transmit information ultimately obey quantum mechanics, we need to choose the type of coding depending on the kind of information device, classical or quantum, that is being used. In both branches of information theory, there are many elegant theoretical results under the ideal assumption that an infinitely large system is available. In a realistic situation, we need to account for finite size effects. The present paper reviews finite size effects in classical and quantum information theory with respect to various topics, including applied aspects.

  3. Perturbative quantization of Yang-Mills theory with classical double as gauge algebra

    CERN Document Server

    Ruiz, F Ruiz

    2015-01-01

    Perturbative quantization of Yang-Mills theory with a gauge algebra given by the classical double of a semisimple Lie algebra is considered. The classical double of a real Lie algebra is a nonsemisimple real Lie algebra that admits a nonpositive definite invariant metric, the indefiniteness of the metric suggesting an apparent lack of unitarity. It is shown that the theory is UV divergent at one loop and that there are no radiative corrections at higher loops. One-loop UV divergences are removed through renormalization of the coupling constant, thus introducing a renormalization scale. The terms in the classical action that would spoil unitarity are proved to be cohomologically trivial with respect to the Slavnov-Taylor operator that controls gauge invariance for the quantum theory. Hence they do not contribute gauge invariant radiative corrections to the quantum effective action and the theory is unitary.

  4. Perturbative quantization of Yang-Mills theory with classical double as gauge algebra

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz Ruiz, F. [Universidad Complutense de Madrid, Departamento de Fisica Teorica I, Madrid (Spain)

    2016-02-15

    Perturbative quantization of Yang-Mills theory with a gauge algebra given by the classical double of a semisimple Lie algebra is considered. The classical double of a real Lie algebra is a nonsemisimple real Lie algebra that admits a nonpositive definite invariant metric, the indefiniteness of the metric suggesting an apparent lack of unitarity. It is shown that the theory is UV divergent at one loop and that there are no radiative corrections at higher loops. One-loop UV divergences are removed through renormalization of the coupling constant, thus introducing a renormalization scale. The terms in the classical action that would spoil unitarity are proved to be cohomologically trivial with respect to the Slavnov-Taylor operator that controls gauge invariance for the quantum theory. Hence they do not contribute gauge invariant radiative corrections to the quantum effective action and the theory is unitary. (orig.)

  5. Phase-field Modeling of the Influence of Elastic Field on the Nucleation and Microstructure Evolution in Precipitation

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yu-xiang; WANG Jin-cheng; YANG Yu-juan; YANG Gen-cang; ZHOU Yao-he

    2007-01-01

    A phase-field method was employed to study the influence of elastic field on the nucleation and microstructure evolution. Two kinds of nucleation process were considered: one using fixed nucleation probability and the other calculated from the classical nucleation theory. In the latter case, the simulated results show that the anisotropic elastic strain field yields significant effects on the behavior of nucleation. With a large lattice misfit between the matrixes and the precipitates, the nucleation process does not appear fully random but displays some spatial correlation and has a preference for the elastic soft direction. However, with a small lattice misfit, this bias does not look quite clean On the contrary, in the case of fixed nucleation probability, the elastic field has no influence on the nucleation process. The lattice mismatch also exerts influences on the microstructure morphology: with lattice mismatch becoming larger, the microstructure proves to align along the elastic soft direction.

  6. Momentum relation and classical limit in the future-not-included complex action theory

    CERN Document Server

    Nagao, Keiichi

    2013-01-01

    Studying the time development of the expectation value in the future-not-included complex action theory we point out that the momentum relation (relation analogous to $p=\\frac{\\partial L}{\\partial \\dot{q}}$), which was derived via Feynman path integral and was shown to be right in the future-included theory in our previous papers, is not valid in the future-not-included theory. We provide the correct momentum relation in the future-not-included theory, and argue that the future-not-included classical theory is described by a certain real action. In addition we provide another way to understand the time development of the future-not-included theory by utilizing the future-included theory. Furthermore, applying the method used in our previous paper to the future-not-included theory properly by introducing a formal Lagrangian, we derive the correct momentum relation in the future-not-included theory.

  7. Momentum relation and classical limit in the future-not-included complex action theory

    Science.gov (United States)

    Nagao, Keiichi; Nielsen, Holger Bech

    2013-07-01

    Studying the time development of the expectation value in the future-not-included complex action theory, we point out that the momentum relation (the relation analogous to p=frac {partial L}{partial dot {q}}), which was derived via the Feynman path integral and was shown to be correct in the future-included theory in our previous papers, is not valid in the future-not-included theory. We provide the correct momentum relation in the future-not-included theory, and argue that the future-not-included classical theory is described by a certain real action. In addition, we provide another way to understand the time development of the future-not-included theory by utilizing the future-included theory. Furthermore, properly applying the method used in our previous paper to the future-not-included theory by introducing a formal Lagrangian, we derive the correct momentum relation in the future-not-included theory.

  8. Solving effective field theory of interacting QCD pomerons in the semi-classical approximation

    CERN Document Server

    Bondarenko, S; Bondarenko, Sergey; Motyka, Leszek

    2006-01-01

    Effective field theory of BFKL pomerons interacting by QCD triple pomeron vertices is investigated. Classical equations of motion for the effective pomeron fields are presented being a minimal extension of the Balitsky-Kovchegov equation that incorporates both merging and splitting of the pomerons and that is self-dual. The equations are solved for symmetric boundary conditions. The solutions provide the dominant contribution to the scattering amplitudes in the semi-classical approximation. We find that for rapidities of the scattering larger than a critical value Y_c at least two classical solutions exist. Curiously, for each of the two classical solutions with the lowest action the symmetry between the projectile and the target is found to be spontaneously broken, being however preserved for the complete set of classical solutions. The solving configurations at rapidities Y>Y_c consist of a Gribov field being strongly suppressed even at very large gluon momenta and the complementary Gribov field that conver...

  9. Quasi-classical theory of electronic flux density in electronically adiabatic molecular processes.

    Science.gov (United States)

    Diestler, D J

    2012-11-26

    The standard Born-Oppenheimer (BO) description of electronically adiabatic molecular processes predicts a vanishing electronic flux density (EFD). A previously proposed "coupled-channels" theory permits the extraction of the EFD from the BO wave function for one-electron diatomic systems, but attempts at generalization to many-electron polyatomic systems are frustrated by technical barriers. An alternative "quasi-classical" approach, which eliminates the explicit quantum dynamics of the electrons within a classical framework, yet retains the quantum character of the nuclear motion, appears capable of yielding EFDs for arbitrarily complex systems. Quasi-classical formulas for the EFD in simple systems agree with corresponding coupled-channels formulas. Results of the application of the new quasi-classical formula for the EFD to a model triatomic system indicate the potential of the quasi-classical scheme to elucidate the dynamical role of electrons in electronically adiabatic processes in more complex multiparticle systems.

  10. Molecular dynamics simulations of bubble nucleation in dark matter detectors

    CERN Document Server

    Denzel, Philipp; Angélil, Raymond

    2016-01-01

    Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat spike model of F. Seitz [Phys. Fluids (1958-1988) 1, 2 (1958)], which uses classical nucleation theory to estimate the amount and the localization of the deposited energy required for bubble formation. Here we report on direct molecular dynamics simulations of heat-spike-induced bubble formation. They allow us to test the nanoscale process described in the classical heat spike model. 40 simulations were performed, each containing about 20 million atoms, which interact by a truncated force-shifted Lennard-Jones potential. We find that the energy per length unit needed for bubble nucleation agrees quite well with theoretical predictions, but the allowed spike length and the required total energy are about twice as large as predicted. This could be explained by the rapid energy di...

  11. A Four-Dimensional Continuum Theory of Space-Time and the Classical Physical Fields

    Directory of Open Access Journals (Sweden)

    Suhendro I.

    2007-10-01

    Full Text Available In this work, we attempt to describe the classical physical fields of gravity, electromagnetism, and the so-called intrinsic spin (chirality in terms of a set of fully geometrized constitutive equations. In our formalism, we treat the four-dimensional space-time continuum as a deformable medium and the classical fields as intrinsic stress and spin fields generated by infinitesimal displacements and rotations in the space-time continuum itself. In itself, the unifying continuum approach employed herein may suggest a possible unified field theory of the known classical physical fields.

  12. Nucleation and structural growth of cluster crystals

    CERN Document Server

    Leitold, Christian

    2016-01-01

    We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n=4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply-occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, w...

  13. Dressing the post-Newtonian two-body problem and classical effective field theory

    Science.gov (United States)

    Kol, Barak; Smolkin, Michael

    2009-12-01

    We apply a dressed perturbation theory to better organize and economize the computation of high orders of the 2-body effective action of an inspiralling post-Newtonian (PN) gravitating binary. We use the effective field theory approach with the nonrelativistic field decomposition (NRG fields). For that purpose we develop quite generally the dressing theory of a nonlinear classical field theory coupled to pointlike sources. We introduce dressed charges and propagators, but unlike the quantum theory there are no dressed bulk vertices. The dressed quantities are found to obey recursive integral equations which succinctly encode parts of the diagrammatic expansion, and are the classical version of the Schwinger-Dyson equations. Actually, the classical equations are somewhat stronger since they involve only finitely many quantities, unlike the quantum theory. Classical diagrams are shown to factorize exactly when they contain nonlinear worldline vertices, and we classify all the possible topologies of irreducible diagrams for low loop numbers. We apply the dressing program to our post-Newtonian case of interest. The dressed charges consist of the dressed energy-momentum tensor after a nonrelativistic decomposition, and we compute all dressed charges (in the harmonic gauge) appearing up to 2PN in the 2-body effective action (and more). We determine the irreducible skeleton diagrams up to 3PN and we employ the dressed charges to compute several terms beyond 2PN.

  14. Analysis of Slight Discrepancy Between Quantum Dynamics and Classical Statistical Dynamics For Second Order Field Theories

    CERN Document Server

    Werbos, P J

    2003-01-01

    Quantum Field Theory (QFT) makes predictions by combining two sets of assumptions: (1) quantum dynamics, such as a Schrodinger or Liouville equation; (2) quantum measurement, such as stochastic collapse to an eigenfunction of a measurement operator. A previous paper defined a classical density matrix R encoding the statistical moments of an ensemble of states of classical second-order Hamiltonian field theory. It proved Tr(RQ)=E(Q), etc., for the usual field operators as defined by Weinberg, and it proved that those observables of the classical system obey the usual Heisenberg dynamic equation. However, R itself obeys dynamics different from the usual Liouville equation! This paper derives those dynamics, and calculates the discrepancy between CFT and normal form QFT in predicting general observables g(Q,P). There is some preliminary evidence for the conjecture that the discrepancies disappear in equilibrium states (bound states and scattering states) for finite bosonic field theories. Even if not, they appea...

  15. Development of a unified viscoplasticity constitutive model based on classical plasticity theory

    Institute of Scientific and Technical Information of China (English)

    GUAN Ping; LIU ChangChun; L(U) HeXiang

    2009-01-01

    The traditional unified viscoplasticity constitutive model can be only applied to metal materials. The study of the unified constitutive theory for metal materials has discovered the correlation between the classical plasticity theory and the unified viscoplasticity constitutive model, thus leading to the con-cepts of the classic plastic potential and yield surface in the unified constitutive model. Moreover, this research has given the continuous expression of the classical plastic multiplier and presented the corresponding constructive method, which extends its physical significance and lays down a good foundation for the application of the unified constitutive theory to the material analysis in more fields.This paper also introduces the unified constitutive model for metal materials and geo-materials. The numerical simulation indicates that the construction should be both reasonable and practical.

  16. Development of a unified viscoplasticity constitutive model based on classical plasticity theory

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The traditional unified viscoplasticity constitutive model can be only applied to metal materials.The study of the unified constitutive theory for metal materials has discovered the correlation between the classical plasticity theory and the unified viscoplasticity constitutive model,thus leading to the con-cepts of the classic plastic potential and yield surface in the unified constitutive model.Moreover,this research has given the continuous expression of the classical plastic multiplier and presented the corresponding constructive method,which extends its physical significance and lays down a good foundation for the application of the unified constitutive theory to the material analysis in more fields.This paper also introduces the unified constitutive model for metal materials and geo-materials.The numerical simulation indicates that the construction should be both reasonable and practical.

  17. New parameterization of sulfuric acid-ammonia-water ternary nucleation rates at tropospheric conditions

    Science.gov (United States)

    Merikanto, J.; Napari, I.; VehkamäKi, H.; Anttila, T.; Kulmala, M.

    2007-08-01

    Recently, the classical theory of sulfuric acid-ammonia-water (H2SO4-NH3-H2O) nucleation was reinvestigated by including the effect of stable ammonium bisulfate formation into calculations. The predicted nucleation rates lowered by many orders of magnitude, bringing them close to agreement with the available experiments on H2SO4-NH3-H2O nucleation. However, because of complex thermodynamics involved, the theoretical calculations of nucleation rates are computationally demanding, and sometimes the theory breaks down at specific concentrations and temperatures. Here we present parameterized equations of ternary H2SO4-NH3-H2O nucleation rates, critical cluster sizes, and critical cluster compositions. Our parameterizations reduce the computing time of these values by a factor of 105 compared with the calculations with the full thermodynamic model. Also, our parameterizations provide reliable estimates for ternary nucleation rates in cases when the full theory fails in isolated points of the parameter space. The parameterized nucleation rates are accurate to one order of magnitude in nucleation rate. Because of their computational efficiency, our parameterizations are particularly suitable for large-scale models of atmosphere. They are valid for temperatures above 235 K, sulfuric acid concentrations 5 · 104-109 cm-3, ammonia mixing ratios 0.1-1000 ppt, relative humidities 5%-95%, and nucleation rates over 10-5 cm-3 s-1. At these conditions, no significant nucleation occurs above 295 K.

  18. An educational contribution to the inadequacy of interpreting the photoelectric effect through the classical theory

    Science.gov (United States)

    Kapoyannis, A. S.; Kalkanis, G.

    2017-03-01

    We develop a simulation to facilitate the teaching of the photoelectric effect in an introductory course on quantum mechanics at undergraduate level. Through a Visual Basic program we describe the interaction of light with electrons in a metal conductor in the phenomenon according to the classical theory. The description includes both the microscopic interaction, as well as the predictions of the theory for the experimental results, arising from the microscopic scale. The predictions of the classical model are in stark contrast with the experimental results of a real photoelectric device.

  19. Method for the solution of the nucleation problem in arbitrary mesoscopic superconductors: theory and application.

    Science.gov (United States)

    Pereira, Paulo J; Moshchalkov, Victor V; Chibotaru, Liviu F

    2012-11-01

    We present a method for finding the condensate distribution at the nucleation of superconductivity for arbitrary polygons. The method is based on conformal mapping of the analytical solution of the linearized Ginzburg-Landau problem for the disk and uses the superconducting gauge for the magnetic potential proposed earlier. As a demonstration of the method's accuracy, we calculate the distribution of the order parameter in regular polygons and compare the obtained solutions with available numerical results. As an example of an irregular polygon, we consider a deformed hexagon and prove that its calculation with the proposed method requires the same level of computational efforts as the regular ones. Finally, we extend the method over samples with arbitrary smooth boundaries. With this, we have made simulations for an experimental sample. They have shown perfect agreement with experimental data.

  20. Neo-classical theory of competition or Adam Smith's hand as mathematized ideology

    Science.gov (United States)

    McCauley, Joseph L.

    2001-10-01

    Orthodox economic theory (utility maximization, rational agents, efficient markets in equilibrium) is based on arbitrarily postulated, nonempiric notions. The disagreement between economic reality and a key feature of neo-classical economic theory was criticized empirically by Osborne. I show that the orthodox theory is internally self-inconsistent for the very reason suggested by Osborne: lack of invertibility of demand and supply as functions of price to obtain price as functions of supply and demand. The reason for the noninvertibililty arises from nonintegrable excess demand dynamics, a feature of their theory completely ignored by economists.

  1. a Classical Isodual Theory of Antimatter and its Prediction of Antigravity

    Science.gov (United States)

    Santilli, Ruggero Maria

    An inspection of the contemporary physics literature reveals that, while matter is treated at all levels of study, from Newtonian mechanics to quantum field theory, antimatter is solely treated at the level of second quantization. For the purpose of initiating the restoration of full equivalence in the treatment of matter and antimatter in due time, and as the classical foundations of an axiomatically consistent inclusion of gravitation in unified gauge theories recently appeared elsewhere, in this paper we present a classical representation of antimatter which begins at the primitive Newtonian level with corresponding formulations at all subsequent levels. By recalling that charge conjugation of particles into antiparticles is antiautomorphic, the proposed theory of antimatter is based on a new map, called isoduality, which is also antiautomorphic (and more generally, antiisomorphic), yet it is applicable beginning at the classical level and then persists at the quantum level where it becomes equivalent to charge conjugation. We therefore present, apparently for the first time, the classical isodual theory of antimatter, we identify the physical foundations of the theory as being the novel isodual Galilean, special and general relativities, and we show the compatibility of the theory with all available classical experimental data on antimatter. We identify the classical foundations of the prediction of antigravity for antimatter in the field of matter (or vice-versa) without any claim on its validity, and defer its resolution to specifically identified experiments. We identify the novel, classical, isodual electromagnetic waves which are predicted to be emitted by antimatter, the so-called space-time machine based on a novel non-Newtonian geometric propulsion, and other implications of the theory. We also introduce, apparently for the first time, the isodual space and time inversions and show that they are nontrivially different than the conventional ones, thus

  2. Theory of linear physical systems theory of physical systems from the viewpoint of classical dynamics, including Fourier methods

    CERN Document Server

    Guillemin, Ernst A

    2013-01-01

    An eminent electrical engineer and authority on linear system theory presents this advanced treatise, which approaches the subject from the viewpoint of classical dynamics and covers Fourier methods. This volume will assist upper-level undergraduates and graduate students in moving from introductory courses toward an understanding of advanced network synthesis. 1963 edition.

  3. Investigating the non-classical boundary conditions relevant to strain gradient theories

    Science.gov (United States)

    Jafari, Akbar; Ezzati, Meysam

    2017-02-01

    In the present study, two classes of non-classical constitutive equations consisting of the first and the second order strain gradients theories (FSG and SSG) were applied in order to develop the governing equations of static and free vibrational behavior of beam structures. The governing equations in orders of six and eight were constructed for FSG and SSG theories, respectively. Therefore, higher order or in other words non-classical boundary conditions (HOBCs or NCBCs) came into play in addition to the classical ones (CBCs). Some explanations were presented about the concept of the non-classical boundary conditions. Analytical and finite element (FE) approaches were employed to solve the governing equations. The analytical solutions were utilized in validation and convergence study of FE results. Comparisons were made with the relevant data reported in the open literature; however, to the best of the authors' knowledge, few references have been published on SSG theory and HOBCs. In the numerical studies, the effects of applying different combinations of CBCs and HOBCs to the static and free vibration behaviors of the beam were investigated. Moreover, the impacts of non-classical elastic constants and the beam size on its behavior were also studied.

  4. Toward a molecular theory of homogeneous bubble nucleation: II. Calculation of the number density of critical nuclei and the rate of nucleation.

    Science.gov (United States)

    Torabi, Korosh; Corti, David S

    2013-10-17

    In the present paper, we develop a method to calculate the rate of homogeneous bubble nucleation within a superheated L-J liquid based on the (n,v) equilibrium embryo free energy surface introduced in the first paper (DOI: 10.1021/jp404149n). We express the nucleation rate as the product of the concentration of critical nuclei within the metastable liquid phase and the relevant forward rate coefficient. We calculate the forward rate coefficient of the critical nuclei from their average lifetime as determined from MD simulations of a large number of embryo trajectories initiated from the transitional region of the metastable liquid configuration space. Therefore, the proposed rate coefficient does not rely on any predefined reaction coordinate. In our model, the critical nuclei belong to the region of the configuration space where the committor probability is about one-half, guaranteeing the dynamical relevance of the proposed embryos. One novel characteristic of our approach is that we define a limit for the configuration space of the equilibrium metastable phase and do not include the configurations that have zero committor probability in the nucleation free energy surface. Furthermore, in order to take into account the transitional degrees of freedom of the critical nuclei, we develop a simulation-based approach for rigorously mapping the free energy of the (n,v) equilibrium embryos to the concentration of the critical nuclei within the bulk metastable liquid phase.

  5. A Classical Test Theory Analysis of the Light and Spectroscopy Concept Inventory National Study Data Set

    Science.gov (United States)

    Schlingman, Wayne M.; Prather, Edward E.; Wallace, Colin S.; Brissenden, Gina; Rudolph, Alexander L.

    2012-01-01

    This paper is the first in a series of investigations into the data from the recent national study using the Light and Spectroscopy Concept Inventory (LSCI). In this paper, we use classical test theory to form a framework of results that will be used to evaluate individual item difficulties, item discriminations, and the overall reliability of the…

  6. A superfield generalization of the classical action-at-a-distance theory

    Science.gov (United States)

    Tugai, V. V.; Zheltukhin, A. A.

    1994-07-01

    A generalization of the Fokker-Schwarzschild- Tetrode-Wheeler-Feynman electromagnetic theory onto superspace is considered. The classical vector and spinor fields belonging to the Maxwell supermultiplet are built of the world-line coordinates of the charged particles in superspace.

  7. Superfield generalization of the classical action-at-a-distance theory

    Science.gov (United States)

    Tugai, V. V.; Zheltukhin, A. A.

    1995-04-01

    A generalization of the Fokker-Schwarzschild-Tetrode-Wheeler-Feynman electromagnetic theory onto superspace is considered. The classical vector and spinor fields belonging to the Maxwell supermultiplet are built of the world-line coordinates of the charged particles in superspace.

  8. Superfield generalization of the classical action-at-a-distance theory

    Energy Technology Data Exchange (ETDEWEB)

    Tugai, V.V. (Scientific Physicotechnological Center, 310145 Kharkov (Ukraine)); Zheltukhin, A.A. (Kharkov Physicotechnical Institute, 310108 Kharkov (Ukraine))

    1995-04-15

    A generalization of the Fokker-Schwarzschild-Tetrode-Wheeler-Feynman electromagnetic theory onto superspace is considered. The classical vector and spinor fields belonging to the Maxwell supermultiplet are built of the world-line coordinates of the charged particles in superspace.

  9. Uniting the Spheres: Modern Feminist Theory and Classic Texts in AP English

    Science.gov (United States)

    Drew, Simao J. A.; Bosnic, Brenda G.

    2008-01-01

    High school teachers Simao J. A. Drew and Brenda G. Bosnic help familiarize students with gender role analysis and feminist theory. Students examine classic literature and contemporary texts, considering characters' historical, literary, and social contexts while expanding their understanding of how patterns of identity and gender norms exist and…

  10. Wigner's dynamical transition state theory in phase space : classical and quantum

    NARCIS (Netherlands)

    Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

    2008-01-01

    We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs t

  11. Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

    Science.gov (United States)

    Marcus, R. A.

    1964-01-01

    In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

  12. Bubble nucleation in polymer–CO2 mixtures.

    Science.gov (United States)

    Xu, Xiaofei; Cristancho, Diego E; Costeux, Stéphane; Wang, Zhen-Gang

    2013-10-28

    We combine density-functional theory with the string method to calculate the minimum free energy path of bubble nucleation in two polymer–CO2 mixture systems, poly(methyl methacrylate) (PMMA)–CO2 and polystyrene (PS)–CO2. Nucleation is initiated by saturating the polymer liquid with high pressure CO2 and subsequently reducing the pressure to ambient condition. Below a critical temperature (Tc), we find that there is a discontinuous drop in the nucleation barrier as a function of increased initial CO2 pressure (P0), as a result of an underlying metastable transition from a CO2-rich-vapor phase to a CO2-rich-liquid phase. The nucleation barrier is generally higher for PS–CO2 than for PMMA–CO2 under the same temperature and pressure conditions, and both higher temperature and higher initial pressure are required to lower the nucleation barrier for PS–CO2 to experimentally relevant ranges. Classical nucleation theory completely fails to capture the structural features of the bubble nucleus and severely underestimates the nucleation barrier.

  13. Investigations on nucleation thermodynamical parameters of NdBa2Cu3O7– (Nd123) crystallization by high temperature solution growth

    Indian Academy of Sciences (India)

    D P Paul; R Jayavel; C Subramanian; P Ramasamy

    2000-04-01

    Investigations on nucleation thermodynamical parameters are very essential for the successful growth of good quality single crystals from high temperature solution. A theoretical estimation of the nucleation thermodynamical parameters like interfacial energy between the solid Nd123 and its flux BaO–CuO, metastable zone-width, Gibbs free energy, critical energy barrier for nucleation and critical nucleation radius have been calculated from the knowledge of solubility data and by applying the classical nucleation theory. Results are discussed to understand the growth kinetics of Nd123 crystals.

  14. The Postmodern Turn: Shall Classic Grounded Theory Take That Detour? A Review Essay

    OpenAIRE

    2006-01-01

    Adherents to classic grounded theory have gotten used to spotting the pretenders working under the grounded theory banner. Some of these faux-GT researchers have worked in a fog, misunderstanding fundamentals of the method; these are the studies that leave us shaking our heads and wondering about the doctoral committee and peer reviewers who did not bother to find out more about the method they were evaluating. More infuriating are the authors who are claiming to improve on grounded theory, t...

  15. Direct Simulations of Homogeneous Bubble Nucleation: Agreement with CNT and no Local Hot Spots

    CERN Document Server

    Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu

    2014-01-01

    We present results from direct, large-scale molecular dynamics (MD) simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones (LJ) atoms and cover up to 56 million time-steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical (NVE) simulations while the ambient pressure and temperature remain almost perfectly constant. We find bubble nucleation rates which are lower than in most of the previous, smaller simulations. It is widely believed that classical nucleation theory (CNT) generally underestimates bubble nucleation rates by very large factors. However, our measured rates are within two orders of magnitude of CNT predictions - only at very low temperatures does CNT underestimate the nucleation rate significantly. Introducing a small, positive Tolman length leads to very good agreement at all temperatures, as found in our recent vapor-to-liquid nucle...

  16. Thermal imaginary part of a real-time static potential from classical lattice gauge theory simulations

    CERN Document Server

    Laine, M; Tassler, M

    2007-01-01

    Recently, a finite-temperature real-time static potential has been introduced via a Schr\\"odinger-type equation satisfied by a certain heavy quarkonium Green's function. Furthermore, it has been pointed out that it possesses an imaginary part, which induces a finite width for the tip of the quarkonium peak in the thermal dilepton production rate. The imaginary part originates from Landau-damping of low-frequency gauge fields, which are essentially classical due to their high occupation number. Here we show how the imaginary part can be measured with classical lattice gauge theory simulations, accounting non-perturbatively for the infrared sector of finite-temperature field theory. We demonstrate that a non-vanishing imaginary part indeed exists non-perturbatively; and that its value agrees semi-quantitatively with that predicted by Hard Loop resummed perturbation theory.

  17. A New Conformal Theory of Semi-Classical Quantum General Relativity

    Directory of Open Access Journals (Sweden)

    Suhendro I.

    2007-10-01

    Full Text Available We consider a new four-dimensional formulation of semi-classical quantum general relativity in which the classical space-time manifold, whose intrinsic geometric properties give rise to the effects of gravitation, is allowed to evolve microscopically by means of a conformal function which is assumed to depend on some quantum mechanical wave function. As a result, the theory presented here produces a unified field theory of gravitation and (microscopic electromagnetism in a somewhat simple, effective manner. In the process, it is seen that electromagnetism is actually an emergent quantum field originating in some kind of stochastic smooth extension (evolution of the gravitational field in the general theory of relativity.

  18. Effective model hierarchies for dynamic and static classical density functional theories

    Energy Technology Data Exchange (ETDEWEB)

    Majaniemi, S [Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11100, FI-00076 Aalto (Finland); Provatas, N [Department of Materials Science and Engineering, McMaster University, 1280 Main Street West, Hamilton, ON, L8S-4L7 (Canada); Nonomura, M, E-mail: maj@fyslab.hut.f [Department of Physics, Graduate School of Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan)

    2010-09-15

    The origin and methodology of deriving effective model hierarchies are presented with applications to solidification of crystalline solids. In particular, it is discussed how the form of the equations of motion and the effective parameters on larger scales can be obtained from the more microscopic models. It will be shown that tying together the dynamic structure of the projection operator formalism with static classical density functional theories can lead to incomplete (mass) transport properties even though the linearized hydrodynamics on large scales is correctly reproduced. To facilitate a more natural way of binding together the dynamics of the macrovariables and classical density functional theory, a dynamic generalization of density functional theory based on the nonequilibrium generating functional is suggested.

  19. Studying thin film damping in a micro-beam resonator based on non-classical theories

    Science.gov (United States)

    Ghanbari, Mina; Hossainpour, Siamak; Rezazadeh, Ghader

    2016-06-01

    In this paper, a mathematical model is presented for studying thin film damping of the surrounding fluid in an in-plane oscillating micro-beam resonator. The proposed model for this study is made up of a clamped-clamped micro-beam bound between two fixed layers. The micro-gap between the micro-beam and fixed layers is filled with air. As classical theories are not properly capable of predicting the size dependence behaviors of the micro-beam, and also behavior of micro-scale fluid media, hence in the presented model, equation of motion governing longitudinal displacement of the micro-beam has been extracted based on non-local elasticity theory. Furthermore, the fluid field has been modeled based on micro-polar theory. These coupled equations have been simplified using Newton-Laplace and continuity equations. After transforming to non-dimensional form and linearizing, the equations have been discretized and solved simultaneously using a Galerkin-based reduced order model. Considering slip boundary conditions and applying a complex frequency approach, the equivalent damping ratio and quality factor of the micro-beam resonator have been obtained. The obtained values for the quality factor have been compared to those based on classical theories. We have shown that applying non-classical theories underestimate the values of the quality factor obtained based on classical theories. The effects of geometrical parameters of the micro-beam and micro-scale fluid field on the quality factor of the resonator have also been investigated.

  20. Studying thin film damping in a micro-beam resonator based on non-classical theories

    Institute of Scientific and Technical Information of China (English)

    Mina Ghanbari; Siamak Hossainpour; Ghader Rezazadeh

    2016-01-01

    In this paper, a mathematical model is presented for studying thin film damping of the surrounding fluid in an in-plane oscillating micro-beam resonator. The proposed model for this study is made up of a clamped-clamped micro-beam bound between two fixed layers. The micro-gap between the micro-beam and fixed layers is filled with air. As classical theories are not properly capable of pre-dicting the size dependence behaviors of the micro-beam, and also behavior of micro-scale fluid media, hence in the presented model, equation of motion governing longitudinal displacement of the micro-beam has been extracted based on non-local elasticity theory. Furthermore, the fluid field has been modeled based on micro-polar theory. These coupled equations have been simplified using Newton-Laplace and continuity equations. After transforming to non-dimensional form and linearizing, the equations have been discretized and solved simultaneously using a Galerkin-based reduced order model. Considering slip boundary conditions and applying a complex frequency approach, the equivalent damping ratio and quality factor of the micro-beam resonator have been obtained. The obtained values for the quality factor have been compared to those based on classical theories. We have shown that applying non-classical theories underestimate the values of the quality factor obtained based on classical theo-ries. The effects of geometrical parameters of the micro-beam and micro-scale fluid field on the quality factor of the res-onator have also been investigated.

  1. 六氨氯化镁初级成核研究%Primary nucleation of magnesium chloride hexammoniate

    Institute of Scientific and Technical Information of China (English)

    赵建海; 汪瑾; 宋兴福; 于建国

    2005-01-01

    Production of anhydrous magnesium chloride by dehydration of bischofite is one of the best ways to utilize the magnesium resource of salt lakes. Formation of magnesium chloride hexammoniate (MgC12·6NH3) is the critical step of the coupled reaction crystallization process, which is an attractive dehydration process. Primary nucleation of MgC12 · 6NH3 by reaction crystallization process was performed in this research. The induction period of MgC12 · 6NH3 primary nucleation was measured by the laser method, and classical theory of primary nucleation was used to quantify the nucleation process. When supersaturation ratio (S=C/C*) S>2, homogeneous nucleation occurred; when S<2, heterogeneous nucleation occurred. The relationships among critical free energy of nucleation, critical size of nucleus and supersaturation was obtained. Critical free energy and critical size of nucleus decreased with increasing supersaturation.

  2. Systematic method for unification of various field theories in a two-dimensional classical $\\phi^4$ field theory

    CERN Document Server

    Zarei, Mohammad Hossein

    2016-01-01

    Although creating a unified theory in Elementary Particles Physics is still an open problem, there are a lot of attempts for unifying other fields of physics. Following such unifications, we regard a two dimensional (2D) classical $\\Phi^{4}$ field theory model to study several field theories with different symmetries in various dimensions. While the completeness of this model has been already proved by a mapping between statistical mechanics and quantum information theory, here, we take into account a fundamental systematic approach with purely mathematical basis to re-derive such completeness in a general manner. Due to simplicity and generality, we believe that our method leads to a general approach which can be understood by other physical communities as well as quantum information theorists. Furthermore, our proof of the completeness is not only a proof-of-principle, but also an interesting algorithmic proof. We consider a discrete version of a general field theory as an arbitrary polynomial function of f...

  3. Verification and Invalidation of the Theory of Symplectic Manifold with Contact Degeneracies as Applied to the Classical Field Theory

    CERN Document Server

    Sokolov, Igor V

    2015-01-01

    A theory of Symplectic Manifold with Contact Degeneracies (SMCD) was developed in [Zot'ev,2007]. The symplectic geometry uses an anti-symmetric tensor (closed differential form) such as a field tensor used in the classical field theory. The SMCD theory studies degeneracies of such form. In [Zot'ev,2011] the SMCD theory was applied to study a front of an electromagnetic pulsed field propagating into a region with no field. Here, the result of [Zot'ev,2011] is compared with the problem solution obtained using the well-known method presented in Witham, G.B., Linear and nonlinear waves, 1974. It is shown that the SMCD theory prediction is not supported by the result obtained with the Witham method.

  4. Second order classical perturbation theory for the sticking probability of heavy atoms scattered on surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, Tapas; Pollak, Eli [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovot (Israel)

    2015-08-14

    A second order classical perturbation theory is developed to calculate the sticking probability of a particle scattered from an uncorrugated thermal surface. An analytic expression for the temperature dependent energy loss of the particle to the surface is derived by employing a one-dimensional generalized Langevin equation. The surface temperature reduces the energy loss, since the thermal surface transfers energy to the particle. Using a Gaussian energy loss kernel and the multiple collision theory of Fan and Manson [J. Chem. Phys. 130, 064703 (2009)], enables the determination of the fraction of particles trapped on the surface after subsequent momentum reversals of the colliding particle. This then leads to an estimate of the trapping probability. The theory is tested for the model scattering of Ar on a LiF(100) surface. Comparison with numerical simulations shows excellent agreement of the analytical theory with simulations, provided that the energy loss is determined by the second order perturbation theory.

  5. Second order classical perturbation theory for the sticking probability of heavy atoms scattered on surfaces.

    Science.gov (United States)

    Sahoo, Tapas; Pollak, Eli

    2015-08-14

    A second order classical perturbation theory is developed to calculate the sticking probability of a particle scattered from an uncorrugated thermal surface. An analytic expression for the temperature dependent energy loss of the particle to the surface is derived by employing a one-dimensional generalized Langevin equation. The surface temperature reduces the energy loss, since the thermal surface transfers energy to the particle. Using a Gaussian energy loss kernel and the multiple collision theory of Fan and Manson [J. Chem. Phys. 130, 064703 (2009)], enables the determination of the fraction of particles trapped on the surface after subsequent momentum reversals of the colliding particle. This then leads to an estimate of the trapping probability. The theory is tested for the model scattering of Ar on a LiF(100) surface. Comparison with numerical simulations shows excellent agreement of the analytical theory with simulations, provided that the energy loss is determined by the second order perturbation theory.

  6. Pseudo-classical transport in a sheared magnetic field: Theory and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Nevins, W.M.; Harte, J.; Gell, Y.

    1979-11-01

    The cross-field transport due to the trapping of electrons in a finite amplitude wave (pseudo-classical transport) is investigated. Both finite wave frequencies and magnetic shear are included. The single particle orbit equations are solved to obtain the trapping criterion as well as the trapped particle orbit width and bounce frequency. Using a random walk model, the scaling of the pseudo-classical transport coefficients with the parameters of the plasma and wave are deduced. This scaling is employed to extend a previous calculation of the transport coefficients to include magnetic shear which is found to reduce these transport coefficients. Computer simulations of this transport process are presented. The measured transport rates are in very good agreement with the previous kinetic calculation in the absence of magnetic shear and with this extension of pseudo-classical transport theory which includes magnetic shear.

  7. Classical diffusion and quantum level velocities: systematic deviations from random matrix theory.

    Science.gov (United States)

    Lakshminarayan, A; Cerruti, N R; Tomsovic, S

    1999-10-01

    We study the response of the quasienergy levels in the context of quantized chaotic systems through the level velocity variance and relate them to classical diffusion coefficients using detailed semiclassical analysis. The systematic deviations from random matrix theory, assuming independence of eigenvectors from eigenvalues, are shown to be connected to classical higher-order time correlations of the chaotic system. We study the standard map as a specific example, and thus the well-known oscillatory behavior of the diffusion coefficient with respect to the parameter is reflected exactly in the oscillations of the variance of the level velocities. We study the case of mixed phase-space dynamics as well and note a transition in the scaling properties of the variance that occurs along with the classical transition to chaos.

  8. Parametric dependent Hamiltonians, wave functions, random matrix theory, and quantal-classical correspondence.

    Science.gov (United States)

    Cohen, D; Kottos, T

    2001-03-01

    We study a classically chaotic system that is described by a Hamiltonian H(Q,P;x), where (Q,P) are the canonical coordinates of a particle in a two-dimensional well, and x is a parameter. By changing x we can deform the "shape" of the well. The quantum eigenstates of the system are /n(x)>. We analyze numerically how the parametric kernel P(n/m)=//(2) evolves as a function of delta(x)[triple bond](x-x(0)). This kernel, regarded as a function of n-m, characterizes the shape of the wave functions, and it also can be interpreted as the local density of states. The kernel P(n/m) has a well-defined classical limit, and the study addresses the issue of quantum-classical correspondence. Both the perturbative and the nonperturbative regimes are explored. The limitations of the random matrix theory approach are demonstrated.

  9. Quantum epistemology from subquantum ontology: Quantum mechanics from theory of classical random fields

    Science.gov (United States)

    Khrennikov, Andrei

    2017-02-01

    The scientific methodology based on two descriptive levels, ontic (reality as it is) and epistemic (observational), is briefly presented. Following Schrödinger, we point to the possible gap between these two descriptions. Our main aim is to show that, although ontic entities may be unaccessible for observations, they can be useful for clarification of the physical nature of operational epistemic entities. We illustrate this thesis by the concrete example: starting with the concrete ontic model preceding quantum mechanics (the latter is treated as an epistemic model), namely, prequantum classical statistical field theory (PCSFT), we propose the natural physical interpretation for the basic quantum mechanical entity-the quantum state ("wave function"). The correspondence PCSFT ↦ QM is not straightforward, it couples the covariance operators of classical (prequantum) random fields with the quantum density operators. We use this correspondence to clarify the physical meaning of the pure quantum state and the superposition principle-by using the formalism of classical field correlations.

  10. Classical R-matrix theory of dispersionless systems: I. (1+1)-dimension theory

    Energy Technology Data Exchange (ETDEWEB)

    Blaszak, Maciej; Szablikowski, Blazej M [Institute of Physics, A Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland)

    2002-12-06

    A systematic way of construction of (1+1)-dimensional dispersionless integrable Hamiltonian systems is presented. The method is based on the classical R-matrix on Poisson algebras of formal Laurent series. Results are illustrated with the known and new (1+1)-dimensional dispersionless systems.

  11. Classical R-matrix theory of dispersionless systems: II. (2+1) dimension theory

    Energy Technology Data Exchange (ETDEWEB)

    Blaszak, Maciej; Szablikowski, Blazej M [Institute of Physics, A Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland)

    2002-12-06

    A systematic way of constructing (2+1)-dimensional dispersionless integrable Hamiltonian systems is presented. The method is based on the so-called central extension procedure and classical R-matrix applied to the Poisson algebras of formal Laurent series. Results are illustrated with the known and new (2+1)-dimensional dispersionless systems.

  12. Heavy Quark Thermalization in Classical Lattice Gauge Theory Lessons for Strongly-Coupled QCD

    CERN Document Server

    Laine, Mikko; Philipsen, Owe; Tassler, Marcus

    2009-01-01

    Thermalization of a heavy quark near rest is controlled by the correlator of two electric fields along a temporal Wilson line. We address this correlator within real-time, classical lattice Yang-Mills theory, and elaborate on the analogies that exist with the dynamics of hot QCD. In the weak-coupling limit, it can be shown analytically that the dynamics on the two sides are closely related to each other. For intermediate couplings, we carry out non-perturbative simulations within the classical theory, showing that the leading term in the weak-coupling expansion significantly underestimates the heavy quark thermalization rate. Our analytic and numerical results also yield a general understanding concerning the overall shape of the spectral function corresponding to the electric field correlator, which may be helpful in subsequent efforts to reconstruct it from Euclidean lattice Monte Carlo simulations.

  13. Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. I. Theory.

    Science.gov (United States)

    Bousquet, David; Hughes, Keith H; Micha, David A; Burghardt, Irene

    2011-02-14

    A mixed quantum-classical formulation is developed for a quantum subsystem in strong interaction with an N-particle environment, to be treated as classical in the framework of a hydrodynamic representation. Starting from the quantum Liouville equation for the N-particle distribution and the corresponding reduced single-particle distribution, exact quantum hydrodynamic equations are obtained for the momentum moments of the single-particle distribution coupled to a discretized quantum subsystem. The quantum-classical limit is subsequently taken and the resulting hierarchy of equations is further approximated by various closure schemes. These include, in particular, (i) a Grad-Hermite-type closure, (ii) a Gaussian closure at the level of a quantum-classical local Maxwellian distribution, and (iii) a dynamical density functional theory approximation by which the hydrodynamic pressure term is replaced by a free energy functional derivative. The latter limit yields a mixed quantum-classical formulation which has previously been introduced by I. Burghardt and B. Bagchi, Chem. Phys. 134, 343 (2006).

  14. Translation invariant theory of polaron (bipolaron) and the problem of quantizing near the classical solution

    Energy Technology Data Exchange (ETDEWEB)

    Lakhno, V. D., E-mail: lak@impb.psn.ru [Russian Academy of Sciences, Institute of Mathematical Problems of Biology (Russian Federation)

    2013-06-15

    A physical interpretation of translation-invariant polarons and bipolarons is presented, some results of their existence are discussed. Consideration is given to the problem of quantization in the vicinity of the classical solution in the quantum field theory. The lowest variational estimate is obtained for the bipolaron energy E({eta}) with E(0) = -0.440636{alpha}{sup 2}, where {alpha} is a constant of electron-phonon coupling, {eta} is a parameter of ion binding.

  15. Surface-Invariants in 2D Classical Yang-Mills Theory

    CERN Document Server

    Díaz, R; Leal, L; D\\'{\\i}az, Rafael; Leal, Lorenzo

    2006-01-01

    We study a method to obtain invariants under area-preserving diffeomorphisms associated to closed curves in the plane from classical Yang-Mills theory in two dimensions. Taking as starting point the Yang-Mills field coupled to non dynamical particles carrying chromo-electric charge, and by means of a perturbative scheme, we obtain the first two contributions to the on shell action, which are area-invariants. A geometrical interpretation of these invariants is given.

  16. Classical field theories of first order and lagrangian submanifolds of premultisymplectic manifolds

    CERN Document Server

    Campos, Cédric M; Marrero, Juan Carlos

    2011-01-01

    A description of classical field theories of first order in terms of Lagrangian submanifolds of premultisymplectic manifolds is presented. For this purpose, a Tulczyjew's triple associated with a fibration is discussed. The triple is adapted to the extended Hamiltonian formalism. Using this triple, we prove that Euler-Lagrange and Hamilton-De Donder-Weyl equations are the local equations defining Lagrangian submanifolds of a premultisymplectic manifold.

  17. Relativistic semi-classical theory of atom ionization in ultra-intense laser

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A relativistic semi-classical theory (RSCT) of H-atom ionizationin ultra-intense laser (UIL) is proposed. A relativistic analytical expression for ionization probability of H-atom in its ground state is given. This expression, compared with non-relativistic expression, clearly shows the effects of the magnet vector in the laser, the non-dipole approximation and the relativistic mass-energy relation on the ionization processes. At the same time, we show that under some conditions the relativistic expression reduces to the non-relativistic expression of non-dipole approximation. At last, some possible applications of the relativistic theory are briefly stated.

  18. Charged free fermions, vertex operators and the classical theory of conjugate nets

    Energy Technology Data Exchange (ETDEWEB)

    Doliwa, Adam [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Rome (Italy); Instytut Fizyki Teoretycznej, Uniwersytet Warszawski, Warsaw (Poland); Manas, Manuel [Departamento de Matematica Aplicada y Estadistica, EUIT Aeronautica, Universidad Politecnica de Madrid, Madrid (Spain); Departamento de Fisica Teorica, Universidad Complutense, Madrid (Spain); Martinez Alonso, Luis; Medina, Elena [Departamento de Matematicas, Universidad de Cadiz, Cadiz (Spain); Santini, Paolo Maria [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Rome (Italy); Dipartimento di Fisica, Universita di Catania, Catania (Italy)

    1999-02-19

    We show that the quantum field theoretical formulation of the {tau}-function theory has a geometrical interpretation within the classical transformation theory of conjugate nets. In particular, we prove that (i) the partial charge transformations preserving the neutral sector are Laplace transformations, (ii) the basic vertex operators are Levy and adjoint Levy transformations and (iii) the diagonal soliton vertex operators generate fundamental transformations. We also show that the bilinear identity for the multicomponent Kadomtsev-Petviashvili hierarchy becomes, through a generalized Miwa map, a bilinear identity for the multidimensional quadrilateral lattice equations. (author)

  19. Homotopy Theory of Probability Spaces I: Classical independence and homotopy Lie algebras

    CERN Document Server

    Park, Jae-Suk

    2015-01-01

    This is the first installment of a series of papers whose aim is to lay a foundation for homotopy probability theory by establishing its basic principles and practices. The notion of a homotopy probability space is an enrichment of the notion of an algebraic probability space with ideas from algebraic homotopy theory. This enrichment uses a characterization of the laws of random variables in a probability space in terms of symmetries of the expectation. The laws of random variables are reinterpreted as invariants of the homotopy types of infinity morphisms between certain homotopy algebras. The relevant category of homotopy algebras is determined by the appropriate notion of independence for the underlying probability theory. This theory will be both a natural generalization and an effective computational tool for the study of classical algebraic probability spaces, while keeping the same central limit. This article is focused on the commutative case, where the laws of random variables are also described in t...

  20. Temperature dependence of heterogeneous nucleation: Extension of the Fletcher model

    Science.gov (United States)

    McGraw, Robert; Winkler, Paul; Wagner, Paul

    2015-04-01

    Recently there have been several cases reported where the critical saturation ratio for onset of heterogeneous nucleation increases with nucleation temperature (positive slope dependence). This behavior contrasts with the behavior observed in homogeneous nucleation, where a decreasing critical saturation ratio with increasing nucleation temperature (negative slope dependence) seems universal. For this reason the positive slope dependence is referred to as anomalous. Negative slope dependence is found in heterogeneous nucleation as well, but because so few temperature-dependent measurements have been reported, it is not presently clear which slope condition (positive or negative) will become more frequent. Especially interesting is the case of water vapor condensation on silver nanoparticles [Kupc et al., AS&T 47: i-iv, 2013] where the critical saturation ratio for heterogeneous nucleation onset passes through a maximum, at about 278K, with higher (lower) temperatures showing the usual (anomalous) temperature dependence. In the present study we develop an extension of Fletcher's classical, capillarity-based, model of heterogeneous nucleation that explicitly resolves the roles of surface energy and surface entropy in determining temperature dependence. Application of the second nucleation theorem, which relates temperature dependence of nucleation rate to cluster energy, yields both necessary and sufficient conditions for anomalous temperature behavior in the extended Fletcher model. In particular it is found that an increasing contact angle with temperature is a necessary, but not sufficient, condition for anomalous temperature dependence to occur. Methods for inferring microscopic contact angle and its temperature dependence from heterogeneous nucleation probability measurements are discussed in light of the new theory.

  1. The nucleation kinetics of ammonium metavanadate precipitated by ammonium chloride

    Science.gov (United States)

    Du, Guangchao; Sun, Zhaohui; Xian, Yong; Jing, Han; Chen, Haijun; Yin, Danfeng

    2016-05-01

    The nucleation kinetics of ammonium metavanadate (NH4VO3) was investigated under conditions of the simulated process for precipitation of NH4VO3 from the vanadium-containing solution. Induction periods for the nucleation of NH4VO3 were experimentally determined as a function of supersaturation at temperatures from 30 to 45 °C. Using the classical nucleation theory, the interfacial tension between NH4VO3 and supersaturated solution, the nucleation rate and critical radius of nucleus for the homogeneous nucleation of NH4VO3 were estimated. With temperature increasing, the calculated interfacial tension gradually decreased from 29.78 mJ/m2 at 30 °C to 23.66 mJ/m2 at 45 °C. The nucleation rate was found to proportionally increase but the critical radius of nucleus exponentially decreased, with increase in supersaturation ratio at a constant temperature. The activation energy for NH4VO3 nucleation was obtained from the relationship between temperature and induction period, ranging from 79.17 kJ/mol at S=25 to 115.50 kJ/mol at S=15. FT-IR and Raman spectrum indicated that the crystals obtained in the precipitation process were NH4VO3.

  2. Nucleation of protein crystals: critical nuclei, phase behavior, and control pathways

    Science.gov (United States)

    Galkin, Oleg; Vekilov, Peter G.

    2001-11-01

    We have studied the nucleation of crystals of the model protein lysozyme using a novel technique that allows direct determinations of homogeneous nucleation rates. At constant temperature of 12.6°C we varied the thermodynamic supersaturation by changing the concentrations of protein and precipitant. We found a broken dependence of the homogeneous nucleation rate on supersaturation that is beyond the predictions of the classical nucleation theory. The nucleation theorem allows us to relate this to discrete changes of the size of the crystal nuclei with increasing supersaturation as (10 or 11)→(4 or 5)→(1 or 2). Furthermore, we observe that the existence of a second liquid phase at high protein concentrations strongly affects crystal nucleation kinetics. We show that the rate of homogeneous nucleation of lysozyme crystals passes through a maximum in the vicinity of the liquid-liquid phase boundary hidden below the liquidus (solubility) line in the phase diagram of the protein solution. We found that glycerol and polyethylene glycol (PEG), which do not specifically bind to proteins, shift this phase boundary and significantly suppress or enhance the crystal nucleation rates, although no simple correlation exists between the action of PEG on the phase diagram and the nucleation kinetics. This provides for a control mechanism which does not require changes in the protein concentration, or the acidity and ionicity of the solution. The effects of the two additives on the phase diagram strongly depend on their concentration and this provides opportunities for further tuning of nucleation rates.

  3. A High Order Theory for Linear Thermoelastic Shells: Comparison with Classical Theories

    Directory of Open Access Journals (Sweden)

    V. V. Zozulya

    2013-01-01

    Full Text Available A high order theory for linear thermoelasticity and heat conductivity of shells has been developed. The proposed theory is based on expansion of the 3-D equations of theory of thermoelasticity and heat conductivity into Fourier series in terms of Legendre polynomials. The first physical quantities that describe thermodynamic state have been expanded into Fourier series in terms of Legendre polynomials with respect to a thickness coordinate. Thereby all equations of elasticity and heat conductivity including generalized Hooke's and Fourier's laws have been transformed to the corresponding equations for coefficients of the polynomial expansion. Then in the same way as in the 3D theories system of differential equations in terms of displacements and boundary conditions for Fourier coefficients has been obtained. First approximation theory is considered in more detail. The obtained equations for the first approximation theory are compared with the corresponding equations for Timoshenko's and Kirchhoff-Love's theories. Special case of plates and cylindrical shell is also considered, and corresponding equations in displacements are presented.

  4. Chaos, scaling and existence of a continuum limit in classical non-Abelian lattice gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Nielsen, H.B. [Niels Bohr Inst., Kobenhavn (Denmark); Rugh, H.H. [Univ. of Warwick, Coventry (United Kingdom); Rugh, S.E. [Los Alamos National Lab., NM (United States)

    1996-12-31

    We discuss space-time chaos and scaling properties for classical non-Abelian gauge fields discretized on a spatial lattice. We emphasize that there is a {open_quote}no go{close_quotes} for simulating the original continuum classical gauge fields over a long time span since there is a never ending dynamical cascading towards the ultraviolet. We note that the temporal chaotic properties of the original continuum gauge fields and the lattice gauge system have entirely different scaling properties thereby emphasizing that they are entirely different dynamical systems which have only very little in common. Considered as a statistical system in its own right the lattice gauge system in a situation where it has reached equilibrium comes closest to what could be termed a {open_quotes}continuum limit{close_quotes} in the limit of very small energies (weak non-linearities). We discuss the lattice system both in the limit for small energies and in the limit of high energies where we show that there is a saturation of the temporal chaos as a pure lattice artifact. Our discussion focuses not only on the temporal correlations but to a large extent also on the spatial correlations in the lattice system. We argue that various conclusions of physics have been based on monitoring the non-Abelian lattice system in regimes where the fields are correlated over few lattice units only. This is further evidenced by comparison with results for Abelian lattice gauge theory. How the real time simulations of the classical lattice gauge theory may reach contact with the real time evolution of (semi-classical aspects of) the quantum gauge theory (e.g. Q.C.D.) is left an important question to be further examined.

  5. Is That a Real Theory or Did You Just Make It Up? Teaching Classic Grounded Theory

    Directory of Open Access Journals (Sweden)

    Odis E. Simmons, Ph.D.

    2010-06-01

    Full Text Available The title of this paper was derived from an incident I observed some years ago while accompanying a highly talented musician-songwriter friend to a performance. During a break, an audience member approached him to compliment the last song he had performed. He had written both the music and the lyrics to the song, one of many he had written. The audience member queried, “Is that a real song, or did you just make it up?” A touch amused, and not knowing whether he should be flattered or insulted, he politely replied, “It is a real song and I made it up.”This episode puts in mind a similar attitude in the social sciences that Glaser and Strauss (1967 noted, in which a small number of ’theoretical capitalists’ originate what are considered to be “real” theories and others are relegated to the role of “proletariat” testers. The means by which these theorists derived their theories remained largely mysterious. Unleashing proletariat testers was one of the chief rationales behind Glaser and Strauss’ development of grounded theory. It brought a democratic option into the social sciences that enabled anyone who learned the methodology to generate theory. The democratic ethos of the methodology may also have inadvertently unleashed an abundance of aspiring remodelers of the methodology, who unfortunately have eroded its primary purpose—to generate theories that are fully grounded in data rather than speculation or ideology.

  6. Force-Field Functor Theory: Classical Force-Fields which Reproduce Equilibrium Quantum Distributions

    Directory of Open Access Journals (Sweden)

    Ryan eBabbush

    2013-10-01

    Full Text Available Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory.

  7. Niels Bohr as philosopher of experiment: Does decoherence theory challenge Bohr's doctrine of classical concepts?

    Science.gov (United States)

    Camilleri, Kristian; Schlosshauer, Maximilian

    2015-02-01

    Niels Bohr's doctrine of the primacy of "classical concepts" is arguably his most criticized and misunderstood view. We present a new, careful historical analysis that makes clear that Bohr's doctrine was primarily an epistemological thesis, derived from his understanding of the functional role of experiment. A hitherto largely overlooked disagreement between Bohr and Heisenberg about the movability of the "cut" between measuring apparatus and observed quantum system supports the view that, for Bohr, such a cut did not originate in dynamical (ontological) considerations, but rather in functional (epistemological) considerations. As such, both the motivation and the target of Bohr's doctrine of classical concepts are of a fundamentally different nature than what is understood as the dynamical problem of the quantum-to-classical transition. Our analysis suggests that, contrary to claims often found in the literature, Bohr's doctrine is not, and cannot be, at odds with proposed solutions to the dynamical problem of the quantum-classical transition that were pursued by several of Bohr's followers and culminated in the development of decoherence theory.

  8. Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions.

    Science.gov (United States)

    Babbush, Ryan; Parkhill, John; Aspuru-Guzik, Alán

    2013-01-01

    Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory.

  9. Unified field theory from the classical wave equation: Preliminary application to atomic and nuclear structure

    Science.gov (United States)

    Múnera, Héctor A.

    2016-07-01

    It is postulated that there exists a fundamental energy-like fluid, which occupies the flat three-dimensional Euclidean space that contains our universe, and obeys the two basic laws of classical physics: conservation of linear momentum, and conservation of total energy; the fluid is described by the classical wave equation (CWE), which was Schrödinger's first candidate to develop his quantum theory. Novel solutions for the CWE discovered twenty years ago are nonharmonic, inherently quantized, and universal in the sense of scale invariance, thus leading to quantization at all scales of the universe, from galactic clusters to the sub-quark world, and yielding a unified Lorentz-invariant quantum theory ab initio. Quingal solutions are isomorphic under both neo-Galilean and Lorentz transformations, and exhibit nother remarkable property: intrinsic unstability for large values of ℓ (a quantum number), thus limiting the size of each system at a given scale. Unstability and scale-invariance together lead to nested structures observed in our solar system; unstability may explain the small number of rows in the chemical periodic table, and nuclear unstability of nuclides beyond lead and bismuth. Quingal functions lend mathematical basis for Boscovich's unified force (which is compatible with many pieces of evidence collected over the past century), and also yield a simple geometrical solution for the classical three-body problem, which is a useful model for electronic orbits in simple diatomic molecules. A testable prediction for the helicoidal-type force is suggested.

  10. The quench map in an integrable classical field theory: nonlinear Schrödinger equation

    Science.gov (United States)

    Caudrelier, Vincent; Doyon, Benjamin

    2016-11-01

    We study the non-equilibrium dynamics obtained by an abrupt change (a quench) in the parameters of an integrable classical field theory, the nonlinear Schrödinger equation. We first consider explicit one-soliton examples, which we fully describe by solving the direct part of the inverse scattering problem. We then develop some aspects of the general theory using elements of the inverse scattering method. For this purpose, we introduce the quench map which acts on the space of scattering data and represents the change of parameter with fixed field configuration (initial condition). We describe some of its analytic properties by implementing a higher level version of the inverse scattering method, and we discuss the applications of Darboux–Bäcklund transformations, Gelfand–Levitan–Marchenko equations and the Rosales series solution to a related, dual quench problem. Finally, we comment on the interplay between quantum and classical tools around the theme of quenches and on the usefulness of the quantization of our classical approach to the quantum quench problem.

  11. [A non-classical approach to medical practices: Michel Foucault and Actor-Network Theory].

    Science.gov (United States)

    Bińczyk, E

    2001-01-01

    The text presents an analysis of medical practices stemming from two sources: Michel Foucault's conception and the research of Annemarie Mol and John Law, representatives of a trend known as Actor-Network Theory. Both approaches reveal significant theoretical kinship: they can be successfully consigned to the framework of non-classical sociology of science. I initially refer to the cited conceptions as a version of non-classical sociology of medicine. The identity of non-classical sociology of medicine hinges on the fact that it undermines the possibility of objective definitions of disease, health and body. These are rather approached as variable social and historical phenomena, co-constituted by medical practices. To both Foucault and Mol the main object of interest was not medicine as such, but rather the network of medical practices. Mol and Law sketch a new theoretical perspective for the analysis of medical practices. They attempt to go beyond the dichotomous scheme of thinking about the human body as an object of medical research and the subject of private experience. Research on patients suffering blood-sugar deficiency provide the empirical background for the thesis of Actor-Network Theory representatives. Michel Foucault's conceptions are extremely critical of medical practices. The French researcher describes the processes of 'medicalising' Western society as the emergence of a new type of power. He attempts to sensitise the reader to the ethical dimension of the processes of medicalising society.

  12. Motion in classical field theories and the foundations of the self-force problem

    CERN Document Server

    Harte, Abraham I

    2014-01-01

    This article serves as a pedagogical introduction to the problem of motion in classical field theories. The primary focus is on self-interaction: How does an object's own field affect its motion? General laws governing the self-force and self-torque are derived using simple, non-perturbative arguments. The relevant concepts are developed gradually by considering motion in a series of increasingly complicated theories. Newtonian gravity is discussed first, then Klein-Gordon theory, electromagnetism, and finally general relativity. Linear and angular momenta as well as centers of mass are defined in each of these cases. Multipole expansions for the force and torque are then derived to all orders for arbitrarily self-interacting extended objects. These expansions are found to be structurally identical to the laws of motion satisfied by extended test bodies, except that all relevant fields are replaced by effective versions which exclude the self-fields in a particular sense. Regularization methods traditionally ...

  13. Charge transport in high mobility molecular semiconductors: classical models and new theories.

    Science.gov (United States)

    Troisi, Alessandro

    2011-05-01

    The theories developed since the fifties to describe charge transport in molecular crystals proved to be inadequate for the most promising classes of high mobility molecular semiconductors identified in the recent years, including for example pentacene and rubrene. After reviewing at an elementary level the classical theories, which still provide the language for the understanding of charge transport in these systems, this tutorial review outlines the recent experimental and computational evidence that prompted the development of new theories of charge transport in molecular crystals. A critical discussion will illustrate how very rarely it is possible to assume a charge hopping mechanism for high mobility organic crystals at any temperature. Recent models based on the effect of non-local electron-phonon coupling, dynamic disorder, coexistence of localized and delocalized states are reviewed. Additionally, a few more recent avenues of theoretical investigation, including the study of defect states, are discussed.

  14. The principle of stationary nonconservative action for classical mechanics and field theories

    CERN Document Server

    Galley, Chad R; Stein, Leo C

    2014-01-01

    We further develop a recently introduced variational principle of stationary action for problems in nonconservative classical mechanics and extend it to classical field theories. The variational calculus used is consistent with an initial value formulation of physical problems and allows for time-irreversible processes, such as dissipation, to be included at the level of the action. In this formalism, the equations of motion are generated by extremizing a nonconservative action $\\mathcal{S}$, which is a functional of a doubled set of degrees of freedom. The corresponding nonconservative Lagrangian contains a potential $K$ which generates nonconservative forces and interactions. Such a nonconservative potential can arise in several ways, including from an open system interacting with inaccessible degrees of freedom or from integrating out or coarse-graining a subset of variables in closed systems. We generalize Noether's theorem to show how Noether currents are modified and no longer conserved when $K$ is non-...

  15. Numerical study of chiral plasma instability within the classical statistical field theory approach

    CERN Document Server

    Buividovich, P V

    2015-01-01

    We report on a numerical study of the real-time dynamics of chirally imbalanced lattice Dirac fermions coupled to dynamical electromagnetic field. To this end we use the classical statistical field theory approach, in which the quantum evolution of fermions is simulated exactly, and electromagnetic fields are treated as classical. Motivated by recent experiments on chirally imbalanced Dirac semimetals, we use the Wilson-Dirac lattice Hamiltonian for fermions in order to model the emergent nature of chiral symmetry at low energies. In general, we observe that the backreaction of fermions on the electromagnetic field prevents the system from acquiring large chirality imbalance. In the case of chirality pumping in parallel electric and magnetic fields, electric field is screened by the produced on-shell fermions and the accumulation of chirality is hence stopped. In the case of evolution with initially present chirality imbalance, axial charge tends to decay at the expense of nonzero helicity of electromagnetic ...

  16. Accurate Calculations of Rotationally Inelastic Scattering Cross Sections Using Mixed Quantum/Classical Theory.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2014-01-16

    For computational treatment of rotationally inelastic scattering of molecules, we propose to use the mixed quantum/classical theory, MQCT. The old idea of treating translational motion classically, while quantum mechanics is used for rotational degrees of freedom, is developed to the new level and is applied to Na + N2 collisions in a broad range of energies. Comparison with full-quantum calculations shows that MQCT accurately reproduces all, even minor, features of energy dependence of cross sections, except scattering resonances at very low energies. The remarkable success of MQCT opens up wide opportunities for computational predictions of inelastic scattering cross sections at higher temperatures and/or for polyatomic molecules and heavier quenchers, which is computationally close to impossible within the full-quantum framework.

  17. Quantum epistemology from subquantum ontology: quantum mechanics from theory of classical random fields

    CERN Document Server

    Khrennikov, Andrei

    2016-01-01

    The scientific methodology based on two descriptive levels, ontic (reality as it is ) and epistemic (observational), is briefly presented. Following Schr\\"odinger, we point to the possible gap between these two descriptions. Our main aim is to show that, although ontic entities may be inaccessible for observations, they can be useful for clarification of the physical nature of operational epistemic entities. We illustrate this thesis by the concrete example: starting with the concrete ontic model preceding quantum mechanics (the latter is treated as an epistemic model), namely, prequantum classical statistical field theory (PCSFT), we propose the natural physical interpretation for the basic quantum mechanical entity - the quantum state ("wave function"). The correspondence PCSFT to QM is not straightforward, it couples the covariance operators of classical (prequantum) random fields with the quantum density operators. We use this correspondence to clarify the physical meaning of the pure quantum state and th...

  18. The Postmodern Turn: Shall Classic Grounded Theory Take That Detour? A Review Essay

    Directory of Open Access Journals (Sweden)

    Vivian B. Martin, PhD

    2006-06-01

    Full Text Available Adherents to classic grounded theory have gotten used to spotting the pretenders working under the grounded theory banner. Some of these faux-GT researchers have worked in a fog, misunderstanding fundamentals of the method; these are the studies that leave us shaking our heads and wondering about the doctoral committee and peer reviewers who did not bother to find out more about the method they were evaluating. More infuriating are the authors who are claiming to improve on grounded theory, to reground it, to quote one notable British author who, lack of handson grounded theory experience aside, manages a booklength critique of the method. Two recent books in the“remaking grounded theory” genre are from sociologists with some years of grounded theory projects behind them. Adele E. Clarke, author of Situational Analysis, was a student and colleague of Anselm L. Strauss at the University of California San Francisco. Kathy Charmaz, author of Constructing Grounded Theory, is among the few grounded theorists who studied with Barney G. Glaser and Strauss at UCSF.

  19. Failure of classical traffic flow theories: Stochastic highway capacity and automatic driving

    CERN Document Server

    Kerner, Boris S

    2016-01-01

    In a mini-review [Physica A {\\bf 392} (2013) 5261--5282] it has been shown that classical traffic flow theories and models failed to explain empirical traffic breakdown -- a phase transition from metastable free flow to synchronized flow at highway bottlenecks. The main objective of this mini-review is to study the consequence of this failure of classical traffic-flow theories for an analysis of empirical stochastic highway capacity as well as for the effect of automatic driving vehicles and cooperative driving on traffic flow. To reach this goal, we show a deep connection between the understanding of empirical stochastic highway capacity and a reliable analysis of automatic driving vehicles in traffic flow. With the use of simulations in the framework of three-phase traffic theory, a probabilistic analysis of the effect of automatic driving vehicles on a mixture traffic flow consisting of a random distribution of automatic driving and manual driving vehicles has been made. We have found that the parameters o...

  20. Failure of classical traffic flow theories: Stochastic highway capacity and automatic driving

    Science.gov (United States)

    Kerner, Boris S.

    2016-05-01

    In a mini-review Kerner (2013) it has been shown that classical traffic flow theories and models failed to explain empirical traffic breakdown - a phase transition from metastable free flow to synchronized flow at highway bottlenecks. The main objective of this mini-review is to study the consequence of this failure of classical traffic-flow theories for an analysis of empirical stochastic highway capacity as well as for the effect of automatic driving vehicles and cooperative driving on traffic flow. To reach this goal, we show a deep connection between the understanding of empirical stochastic highway capacity and a reliable analysis of automatic driving vehicles in traffic flow. With the use of simulations in the framework of three-phase traffic theory, a probabilistic analysis of the effect of automatic driving vehicles on a mixture traffic flow consisting of a random distribution of automatic driving and manual driving vehicles has been made. We have found that the parameters of automatic driving vehicles can either decrease or increase the probability of the breakdown. The increase in the probability of traffic breakdown, i.e., the deterioration of the performance of the traffic system can occur already at a small percentage (about 5%) of automatic driving vehicles. The increase in the probability of traffic breakdown through automatic driving vehicles can be realized, even if any platoon of automatic driving vehicles satisfies condition for string stability.

  1. 古典与新古典收入分配理论之比较%Comparisons on income distribution theories between classicism and neo-classicism

    Institute of Scientific and Technical Information of China (English)

    刘娟

    2011-01-01

    收入分配理论是经济学理论研究的基础,古典、新古典的收入分配研究是经济学理论研究基础之基础。价值理论决定了收入分配理论,本文主要从古典、新古典的价值理论入手,比较了其收入分配理论的不同并对其原因进行了分析。%Income distribution theory based on value theory is the basis of the economics study and classical and neo-classical income distribution research are the basis of the basis.This study compares differences between the two income distribution theories and a

  2. APPLICATION OF PREMACK’S THEORY TO A CLASSICALLY CONDITIONED SUCROSE AVERSION INDUCED BY X-RAY EXPOSURE,

    Science.gov (United States)

    for the applicability to classical conditioning of Premack’s reinforcement theory in which the rate of reinforced responding is determined in part by the precontingency rate of the response. (Author)

  3. Geometric approach to chaos in the classical dynamics of abelian lattice gauge theory

    CERN Document Server

    Casetti, L; Pettini, M; Casetti, Lapo; Gatto, Raoul; Pettini, Marco

    1998-01-01

    A Riemannian geometrization of dynamics is used to study chaoticity in the classical Hamiltonian dynamics of a U(1) lattice gauge theory. This approach allows one to obtain analytical estimates of the largest Lyapunov exponent in terms of time averages of geometric quantities. These estimates are compared with the results of numerical simulations, and turn out to be very close to the values extrapolated for very large lattice sizes even when the geometric quantities are computed using small lattices. The scaling of the Lyapunov exponent with the energy density is found to be well described by a quadratic power law.

  4. Geometric approach to chaos in the classical dynamics of Abelian lattice gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Casetti, Lapo [Istituto Nazionale per la Fisica della Materia (INFM), Unita di Ricerca del Politecnico di Torino, Dipartimento di Fisica, Politecnico di Torino, Turin (Italy); Gatto, Raoul [Departement de Physique Theorique, Universite de Geneve, Geneva (Switzerland); Pettini, Marco [Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi 5, Florence (Italy)

    1999-04-23

    A Riemannian geometrization of dynamics is used to study chaoticity in the classical Hamiltonian dynamics of a U(1) lattice gauge theory. This approach allows one to obtain analytical estimates of the largest Lyapunov exponent in terms of time averages of geometric quantities. These estimates are compared with the results of numerical simulations, and turn out to be very close to the values extrapolated for very large lattice sizes even when the geometric quantities are computed using small lattices. The scaling of the Lyapunov exponent {lambda} with the energy density {epsilon} is found to be well described by the law {lambda}{proportional_to}{epsilon}{sup 2}. (author)

  5. Wave packet dynamics in energy space, random matrix theory, and the quantum-classical correspondence

    Science.gov (United States)

    Cohen; Izrailev; Kottos

    2000-03-06

    We apply random-matrix-theory (RMT) to the analysis of evolution of wave packets in energy space. We study the crossover from ballistic behavior to saturation, the possibility of having an intermediate diffusive behavior, and the feasibility of strong localization effect. Both theoretical considerations and numerical results are presented. Using quantal-classical correspondence considerations we question the validity of the emerging dynamical picture. In particular, we claim that the appearance of the intermediate diffusive behavior is possibly an artifact of the RMT strategy.

  6. The energy–momentum tensor(s in classical gauge theories

    Directory of Open Access Journals (Sweden)

    Daniel N. Blaschke

    2016-11-01

    Full Text Available We give an introduction to, and review of, the energy–momentum tensors in classical gauge field theories in Minkowski space, and to some extent also in curved space–time. For the canonical energy–momentum tensor of non-Abelian gauge fields and of matter fields coupled to such fields, we present a new and simple improvement procedure based on gauge invariance for constructing a gauge invariant, symmetric energy–momentum tensor. The relationship with the Einstein–Hilbert tensor following from the coupling to a gravitational field is also discussed.

  7. Redundancy of constraints in the classical and quantum theories of gravitation.

    Science.gov (United States)

    Moncrief, V.

    1972-01-01

    It is shown that in Dirac's version of the quantum theory of gravitation, the Hamiltonian constraints are greatly redundant. If the Hamiltonian constraint condition is satisfied at one point on the underlying, closed three-dimensional manifold, then it is automatically satisfied at every point, provided only that the momentum constraints are everywhere satisfied. This permits one to replace the usual infinity of Hamiltonian constraints by a single condition which may be taken in the form of an integral over the manifold. Analogous theorems are given for the classical Einstein Hamilton-Jacobi equations.

  8. The Energy-Momentum Tensor(s) in Classical Gauge Theories

    CERN Document Server

    Blaschke, Daniel N; Reboud, Meril; Schweda, Manfred

    2016-01-01

    We give an introduction to, and review of, the energy-momentum tensors in classical gauge field theories in Minkowski space, and to some extent also in curved space-time. For the canonical energy-momentum tensor of non-Abelian gauge fields and of matter fields coupled to such fields, we present a new and simple improvement procedure based on gauge invariance for constructing a gauge invariant, symmetric energy-momentum tensor. The relationship with the Einstein-Hilbert tensor following from the coupling to a gravitational field is also discussed.

  9. Peridynamic theory of solids from the perspective of classical statistical mechanics

    Science.gov (United States)

    Rahman, R.; Foster, J. T.

    2015-11-01

    In this paper the classical statistical mechanics has been explored in order to develop statistical mechanical framework for peridynamics. Peridynamic equation of motion is known as upscaled Newton's equation. The peridynamic system consists of finite number of nonlocally interacting particles at nano and meso scales. This particle representation of peridynamics can be treated in terms of classical statistical mechanics. Hence, in this work the phase space is constructed based on the PD particle from their evolving momentum pi and positions xi. The statistical ensembles are derived by defining appropriate partition functions. The algorithms for NVE and NPH implemented in the classical molecular dynamics are revisited for equilibrium peridynamic models. The current work introduces Langevin dynamics to the peridynamic theory through fluctuation-dissipation principle. This introduces a heat bath to the peridynamic system which eliminates the ambiguity with the role of temperature in a peridynamic system. Finally, it was seen that the homogenization of a peridynamic model with finite number of particles approaches to a conventional continuum model. The upscaled non-equilibrium peridynamics has potential applications in modeling wide variety of multiscale-multiphysics problems from nano to macro scale or vice versa.

  10. Demythologizing the machine: Patrick Geddes, Lewis Mumford, and classical sociological theory.

    Science.gov (United States)

    Renwick, Chris; Gunn, Richard C

    2008-01-01

    This paper reconsiders the work of the Scottish biologist, sociologist, and town planner Patrick Geddes and his most famous intellectual disciple: the American independent scholar Lewis Mumford. It is argued that existing interpretations of their work, ranging from a dismissal of the two men as eccentric polymaths to the speculative emphasis on the importance of psychological theories in Mumford's oeuvre, are fundamentally flawed. Examining their writings and the letters they exchanged during their 17-year correspondence, this paper shows that the only way we can appreciate the scholarly conventions underpinning Geddes's and Mumford's work, as well as the context in which it was produced, is by looking to the principles of classical sociological theory.

  11. Particle creation, classicality and related issues in quantum field theory: I. Formalism and toy models

    CERN Document Server

    Mahajan, Gaurang

    2007-01-01

    The quantum theory of a harmonic oscillator with a time dependent frequency arises in several important physical problems, especially in the study of quantum field theory in an external background. While the mathematics of this system is straightforward, several conceptual issues arise in such a study. We present a general formalism to address some of the conceptual issues like the emergence of classicality, definition of particle content, back reaction etc. In particular, we parametrize the wave function in terms of a complex number (which we call excitation parameter) and express all physically relevant quantities in terms it. Many of the notions -- like those of particle number density, effective Lagrangian etc., which are usually defined using asymptotic in-out states -- are generalized as time-dependent concepts and we show that these generalized definitions lead to useful and reasonable results. Having developed the general formalism we apply it to several examples. Exact analytic expressions are found ...

  12. Classical R-matrix theory for bi-Hamiltonian field systems

    Energy Technology Data Exchange (ETDEWEB)

    Blaszak, Maciej [Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Szablikowski, Blazej M [Department of Mathematics, University of Glasgow, Glasgow G12 8QW (United Kingdom)], E-mail: blaszakm@amu.edu.pl, E-mail: b.szablikowski@maths.gla.ac.uk

    2009-10-09

    This is a survey of the application of the classical R-matrix formalism to the construction of infinite-dimensional integrable Hamiltonian field systems. The main point is the study of bi-Hamiltonian structures. Appropriate constructions on Poisson, noncommutative and loop algebras as well as the central extension procedure are presented. The theory is developed for (1 + 1)- and (2 + 1)-dimensional field and lattice soliton systems as well as hydrodynamic systems. The formalism presented contains sufficiently many proofs and important details to make it self-contained and complete. The general theory is applied to several infinite-dimensional Lie algebras in order to construct both dispersionless and dispersive (soliton) integrable field systems.

  13. Renormalized kinetic theory of classical fluids in and out of equilibrium

    CERN Document Server

    Daligault, Jerome

    2011-01-01

    We present a theory for the construction of renormalized kinetic equations to describe the dynamics of classical systems of particles in or out of equilibrium. A closed, self-consistent set of evolution equations is derived for the single-particle phase-space distribution function $f$, the correlation function $C=$, the retarded and advanced density response functions $\\chi^{R,A}=\\delta f/\\delta\\phi$ to an external potential $\\phi$, and the associated memory functions $\\Sigma^{R,A,C}$. The basis of the theory is an effective action functional $\\Omega$ of external potentials $\\phi$ that contains all information about the dynamical properties of the system. In particular, its functional derivatives generate successively the single-particle phase-space density $f$ and all the correlation and density response functions, which are coupled through an infinite hierarchy of evolution equations. Traditional renormalization techniques are then used to perform the closure of the hierarchy through memory functions. The l...

  14. Corporate social responsibility and the classical theory of the firm: Are both theories irreconcilable?

    Directory of Open Access Journals (Sweden)

    Jesús García-de-Madariaga

    2011-10-01

    Full Text Available There has been a lot of discussion about corporate social responsibility (CSR during these last decades. Neoclassical authors support the idea that CSR is not compatible with the objective of profit maximization, and defenders of CSR argue that, in these times of globalization and network economies, the idea of a company managed just to meet shareholders’ interests does not support itself. However, beyond this discussion, how can CSR affect firms’ market value? If we found a positive relationship between these variables, we could conclude that the two theories are reconcilable and the objective of profit maximization, perhaps, should satisfy not only shareholders’ interests, but also stakeholders’. We review previous literature and propose a model to analyze how CSR affects firms’ market value.

  15. Overview: Understanding nucleation phenomena from simulations of lattice gas models

    Science.gov (United States)

    Binder, Kurt; Virnau, Peter

    2016-12-01

    Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the roughening transition temperature facetted crystals rather than spherical droplets result. The possibility to find nucleation barriers from a thermodynamic analysis avoiding a cluster identification on the particle level is discussed, as well as the question of curvature corrections to the interfacial tension. For the interpretation of heterogeneous nucleation at planar walls, knowledge of contact angles and line tensions is desirable, and methods to extract these quantities from simulations will be mentioned. Finally, also the problem of nucleation near the stability limit of metastable states and the significance of the spinodal curve will be discussed, in the light of simulations of Ising models with medium range interactions.

  16. The Quench Map in an Integrable Classical Field Theory: Nonlinear Schr\\"odinger Equation

    CERN Document Server

    Caudrelier, Vincent

    2016-01-01

    We study the non-equilibrium dynamics obtained by an abrupt change (a {\\em quench}) in the parameters of an integrable classical field theory, the nonlinear Schr\\"odinger equation. We first consider explicit one-soliton examples, which we fully describe by solving the direct part of the inverse scattering problem. We then develop some aspects of the general theory using elements of the inverse scattering method. For this purpose, we introduce the {\\em quench map} which acts on the space of scattering data and represents the change of parameter with fixed field configuration (initial condition). We describe some of its analytic properties by implementing a higher level version of the inverse scattering method, and we discuss the applications of Darboux-B\\"acklund transformations, Gelfand-Levitan-Marchenko equations and the Rosales series solution to a related, dual quench problem. Finally, we comment on the interplay between quantum and classical tools around the theme of quenches and on the usefulness of the ...

  17. The KAM story a friendly introduction to the content, history, and significance of classical Kolmogorov-Arnold-Moser theory

    CERN Document Server

    Dumas, H Scott

    2014-01-01

    This is a semi-popular mathematics book aimed at a broad readership of mathematically literate scientists, especially mathematicians and physicists who are not experts in classical mechanics or KAM theory, and scientific-minded readers. Parts of the book should also appeal to less mathematically trained readers with an interest in the history or philosophy of science. The scope of the book is broad: it not only describes KAM theory in some detail, but also presents its historical context (thus showing why it was a 'breakthrough'). Also discussed are applications of KAM theory (especially to celestial mechanics and statistical mechanics) and the parts of mathematics and physics in which KAM theory resides (dynamical systems, classical mechanics, and Hamiltonian perturbation theory). Although a number of sources on KAM theory are now available for experts, this book attempts to fill a long-standing gap at a more descriptive level. It stands out very clearly from existing publications on KAM theory because it ...

  18. Crossover from nucleation to spinodal decomposition in a condensing vapor.

    Science.gov (United States)

    Wedekind, Jan; Chkonia, Guram; Wölk, Judith; Strey, Reinhard; Reguera, David

    2009-09-21

    The mechanism controlling the initial step of a phase transition has a tremendous influence on the emerging phase. We study the crossover from a purely nucleation-controlled transition toward spinodal decomposition in a condensing Lennard-Jones vapor using molecular dynamics simulations. We analyze both the kinetics and at the same time the thermodynamics by directly reconstructing the free energy of cluster formation. We estimate the location of the spinodal, which lies at much deeper supersaturations than expected. Moreover, the nucleation barriers we find differ only by a constant from the classical nucleation theory predictions and are in very good agreement with semiempirical scaling relations. In the regime from very small barriers to the spinodal, growth controls the rate of the transition but not its nature because the activation barrier has not yet vanished. Finally, we discuss in detail the influence of the chosen reaction coordinate on the interpretation of such simulation results.

  19. Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters

    Directory of Open Access Journals (Sweden)

    Jason Herb

    2011-02-01

    Full Text Available The impact of organic species which are present in the Earth’s atmosphere on the burst of new particles is critically important for the understanding of the molecular nature of atmospheric nucleation phenomena. Amines have recently been proposed as possible stabilizers of binary pre-nucleation clusters. In order to advance the understanding of atmospheric nucleation phenomena, a quantum-chemical study of hydrogen-bonded complexes of binary sulfuric acid-water clusters with methyl-, dimethyl- and trimethylamines representing common atmospheric organic species, vegetation products and laboratory impurities has been carried out. The thermochemical stability of the sulfuric acid-amines-water complexes was found to be higher than that of the sulfuric acid-ammonia-water complexes, in qualitative agreement with the previous studies. However, the enhancement in stability due to amines appears to not be large enough to overcome the difference in typical atmospheric concentrations of ammonia and amines. Further research is needed in order to address the existing uncertainties and to reach a final conclusion about the importance of amines for the atmospheric nucleation.

  20. Self psychology as a shift away from the paranoid strain in classical analytic theory.

    Science.gov (United States)

    Terman, David M

    2014-12-01

    Classical psychoanalytic theory has a paranoid strain. There is, in effect, an "evil other"--the id--within each individual that must be tamed in development and confronted and worked through as resistance in treatment. This last has historically endgendered an adversarial relationship between patient and analyst. This paranoid strain came from a paranoid element in Freud's personality that affected his worldview, his relationships, and his theory. Self psychology offers a different view of development and conflict. It stresses the child's need for responsiveness from and admiration of caretakers in order to develop a well-functioning self. Though severe behavioral and character problems may result from faults in the process of self-construction, the essential need is not instinctual discharge but connection. Hence the long-assumed opposition between individual needs and social institutions or between patient and analyst is no longer inevitable or universal. Rather, an understanding of the primary need for connection creates both a different interpretive stance and a more cooperative ambience. These changes in theory and technique are traced to Kohut's personal struggles to emancipate himself from his paranoid mother.

  1. Chandrasekhar limit: an elementary approach based on classical physics and quantum theory

    Science.gov (United States)

    Pinochet, Jorge; Van Sint Jan, Michael

    2016-05-01

    In a brief article published in 1931, Subrahmanyan Chandrasekhar made public an important astronomical discovery. In his article, the then young Indian astrophysicist introduced what is now known as the Chandrasekhar limit. This limit establishes the maximum mass of a stellar remnant beyond which the repulsion force between electrons due to the exclusion principle can no longer stop the gravitational collapse. In the present article, we create an elemental approximation to the Chandrasekhar limit, accessible to non-graduate science and engineering students. The article focuses especially on clarifying the origins of Chandrasekhar’s discovery and the underlying physical concepts. Throughout the article, only basic algebra is used as well as some general notions of classical physics and quantum theory.

  2. Gauge bridges in classical field theory; Eichbruecken in der klassischen Feldtheorie

    Energy Technology Data Exchange (ETDEWEB)

    Jakobs, S.

    2009-03-15

    In this thesis Poisson structures of two classical gauge field theories (Maxwell-Klein-Gordon- and Maxwell-Dirac-system) are constructed using the parametrix construction of Green's functions. Parametrices for the Maxwell-Klein-Gordon- and Maxwell-Dirac-system are constructed in Minkowski space and this construction is later generalized to curved space times for the Maxwell-Klein-Gordon-system. With these Green's functions Poisson brackets will be defined as Peierls brackets. Finally non-local, gauge invariant observables, the so-called 'gauge bridges'are constructed. Gauge bridges are the matrix elements of holonomy operators. It is shown, that these emerge from Poisson brackets of local, gauge invariant observables. (orig.)

  3. Hydration of Clays at the Molecular Scale: The Promising Perspective of Classical Density Functional Theory

    CERN Document Server

    Jeanmairet, Guillaume; Levesque, Maximilien; Rotenberg, Benjamin; Borgis, Daniel

    2014-01-01

    We report here how the hydration of complex surfaces can be efficiently studied thanks to recent advances in classical molecular density functional theory. This is illustrated on the example of the pyrophylite clay. After presenting the most recent advances, we show that the strength of this implicit method is that (i) it is in quantitative or semi-quantitative agreement with reference all-atoms simulations (molecular dynamics here) for both the solvation structure and energetics, and that (ii) the computational cost is two to three orders of magnitude less than in explicit methods. The method remains imperfect, in that it locally overestimates the polarization of water close to hydrophylic sites of the clay. The high numerical efficiency of the method is illustrated and exploited to carry a systematic study of the electrostatic and van der Waals components of the surface-solvant interactions within the most popular force field for clays, CLAYFF. Hydration structure and energetics are found to weakly depend u...

  4. Classical solutions in quantum field theory solitons and instantons in high energy physics

    CERN Document Server

    Weinberg, Erick J

    2012-01-01

    Classical solutions play an important role in quantum field theory, high energy physics and cosmology. Real-time soliton solutions give rise to particles, such as magnetic monopoles, and extended structures, such as domain walls and cosmic strings, that have implications for early universe cosmology. Imaginary-time Euclidean instantons are responsible for important nonperturbative effects, while Euclidean bounce solutions govern transitions between metastable states. Written for advanced graduate students and researchers in elementary particle physics, cosmology and related fields, this book brings the reader up to the level of current research in the field. The first half of the book discusses the most important classes of solitons: kinks, vortices and magnetic monopoles. The cosmological and observational constraints on these are covered, as are more formal aspects, including BPS solitons and their connection with supersymmetry. The second half is devoted to Euclidean solutions, with particular emphasis on ...

  5. Classical and quantum theory of the massive spin-two field

    Science.gov (United States)

    Koenigstein, Adrian; Giacosa, Francesco; Rischke, Dirk H.

    2016-05-01

    In this paper, we review classical and quantum field theory of massive non-interacting spin-two fields. We derive the equations of motion and Fierz-Pauli constraints via three different methods: the eigenvalue equations for the Casimir invariants of the Poincaré group, a Lagrangian approach, and a covariant Hamilton formalism. We also present the conserved quantities, the solution of the equations of motion in terms of polarization tensors, and the tree-level propagator. We then discuss canonical quantization by postulating commutation relations for creation and annihilation operators. We express the energy, momentum, and spin operators in terms of the former. As an application, quark-antiquark currents for tensor mesons are presented. In particular, the current for tensor mesons with quantum numbers JPC =2-+ is, to our knowledge, given here for the first time.

  6. Fermion production in the background of Minkowski space classical solutions in spontaneously broken gauge theory

    CERN Document Server

    Farhi, E; Gutmann, S; Rajagopal, K; Singleton, R; Farhi, E; Goldstone, J; Gutmann, S; Rajagopal, K

    1995-01-01

    We investigate fermion production in the background of Minkowski space solutions to the equations of motion of SU(2) gauge theory spontaneously broken via the Higgs mechanism. First, we attempt to evaluate the topological charge Q of the solutions. We find that for solutions we cannot define a Lorentz invariant Q as an integral over all space-time. Solutions can profitably be characterized by the (integer-valued) change in Higgs winding number \\Delta N_H. We show that solutions which dissipate at early and late times and which have nonzero \\Delta N_H must have at least the sphaleron energy. We show that if we couple a quantized massive chiral fermion to a classical background given by a solution, the number of fermions produced is \\Delta N_H, and is not related to Q.

  7. Thermodynamic Derivation of the Activation Energy for Ice Nucleation

    Science.gov (United States)

    Barahona, D.

    2015-01-01

    Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the

  8. An inverse modeling procedure to determine particle growth and nucleation rates from measured aerosol size distributions

    Directory of Open Access Journals (Sweden)

    B. Verheggen

    2006-01-01

    Full Text Available Classical nucleation theory is unable to explain the ubiquity of nucleation events observed in the atmosphere. This shows a need for an empirical determination of the nucleation rate. Here we present a novel inverse modeling procedure to determine particle nucleation and growth rates based on consecutive measurements of the aerosol size distribution. The particle growth rate is determined by regression analysis of the measured change in the aerosol size distribution over time, taking into account the effects of processes such as coagulation, deposition and/or dilution. This allows the growth rate to be determined with a higher time-resolution than can be deduced from inspecting contour plots ('banana-plots''. Knowing the growth rate as a function of time enables the evaluation of the time of nucleation of measured particles of a certain size. The nucleation rate is then obtained by integrating the particle losses from time of measurement to time of nucleation. The regression analysis can also be used to determine or verify the optimum value of other parameters of interest, such as the wall loss or coagulation rate constants. As an example, the method is applied to smog chamber measurements. This program offers a powerful interpretive tool to study empirical aerosol population dynamics in general, and nucleation and growth in particular.

  9. Homogeneous SPC/E water nucleation in large molecular dynamics simulations.

    Science.gov (United States)

    Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu

    2015-08-14

    We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to ∼ 4 ⋅ 10(6) molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to ∼ 10(19) cm(-3) s(-1), helping close the gap between experimentally measured rates ∼ 10(17) cm(-3) s(-1). We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run average temperature. Also, we observe that post-critical clusters have densities very slightly higher, ∼ 5%, than bulk liquid. We re-calibrate a Hale-type J vs. S scaling relation using both experimental and simulation data, finding remarkable consistency in over 30 orders of magnitude in the nucleation rate range and 180 K in the temperature range.

  10. Nucleation in a Potts lattice gas model of crystallization from solution

    Science.gov (United States)

    Duff, Nathan; Peters, Baron

    2009-11-01

    Nucleation from solution is important in many pharmaceutical crystallization, biomineralization, material synthesis, and self-assembly processes. Simulation methodology has progressed rapidly for studies of nucleation in pure component and implicit solvent systems; however little progress has been made in the simulation of explicit solvent systems. The impasse stems from the inability of rare events simulation methodology to be combined with simulation techniques which maintain a constant chemical potential driving force (supersaturation) for nucleation. We present a Potts lattice gas (PLG) to aid in the development of new simulation strategies for nucleation from solution. The PLG captures common crystallization phase diagram features such as a eutectic point and solute/solvent melting points. Simulations of the PLG below the bulk solute melting temperature reveal a competition between amorphous and crystalline nuclei. As the temperature is increased toward the bulk melting temperature, the nucleation pathway changes from a one step crystalline nucleation pathway to a two step pathway, where an amorphous nucleus forms and then crystallizes. We explain these results in terms of classical nucleation theory with different size-dependant chemical potentials for the amorphous and crystalline nucleation pathways. The two step pathway may be particularly important when crystallization is favored only at postcritical sizes.

  11. Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water

    CERN Document Server

    Sundararaman, Ravishankar

    2014-01-01

    Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site molecular fluids has so far been limited by complications due to the implicit molecular geometry constraints on the site densities, whose resolution typically requires expensive Monte Carlo methods. Here, we present a general scheme of circumventing this so-called inversion problem: compressed representations of the orientation density. This approach allows us to combine the superior iterative convergence properties of multipole representations of the fluid configuration with the improved accuracy of site-density functionals. Next, from a computational perspective, we show how to extend the DFT++ algebraic formulation of electronic density-functional theory to the classical fluid case and present a basis-independent discretization of our formulation for molecular classical de...

  12. Classification and Properties of Solutions for the System of Equations of Classical Electrode Effect Theory

    Science.gov (United States)

    Kalinin, A. V.; Grigor'ev, E. E.; Zhidkov, A. A.; Terent'ev, A. M.

    2014-04-01

    We study a one-dimensional stationary system of equations comprising the continuity equation for the ion concentration with the recombination effects taken into account and the Gauss law for the electric field. This system gives a simplified description of various phenomena in ionized medium theory and is used, in particular, for modeling of the electrode effect in the atmospheric surface layers with the turbulent diffusion effects neglected. Using the integral of the system and a phase portrait in the ion concentration plane, we offer a complete classification of types of solutions of the system, examine their properties, and deduce some analytical relations between the ion concentration and the electric field. The basic equations of classical electrode effect theory are obtained for some classes of solutions within the framework of this approach. Correct formulations of the problems are discussed. New classes of solutions, for which there are layers with infinitely increasing conductivity and charge density are described. The Appendix illustrates, in both analytical and graphical form, the results obtained in the main part of this paper on the basis of qualitative reasoning for parameters close to real. Analytical expressions for the fields and ion concentrations are given for all types of solutions. Relations for the distances between electrodes and analytical relations describing the properties of the spatially localized solutions are presented.

  13. Field theory and weak Euler-Lagrange equation for classical particle-field systems.

    Science.gov (United States)

    Qin, Hong; Burby, Joshua W; Davidson, Ronald C

    2014-10-01

    It is commonly believed as a fundamental principle that energy-momentum conservation of a physical system is the result of space-time symmetry. However, for classical particle-field systems, e.g., charged particles interacting through self-consistent electromagnetic or electrostatic fields, such a connection has only been cautiously suggested. It has not been formally established. The difficulty is due to the fact that the dynamics of particles and the electromagnetic fields reside on different manifolds. We show how to overcome this difficulty and establish the connection by generalizing the Euler-Lagrange equation, the central component of a field theory, to a so-called weak form. The weak Euler-Lagrange equation induces a new type of flux, called the weak Euler-Lagrange current, which enters conservation laws. Using field theory together with the weak Euler-Lagrange equation developed here, energy-momentum conservation laws that are difficult to find otherwise can be systematically derived from the underlying space-time symmetry.

  14. Statistical analysis of 4 types of neck whiplash injuries based on classical meridian theory.

    Science.gov (United States)

    Chen, Yemeng; Zhao, Yan; Xue, Xiaolin; Li, Hui; Wu, Xiuyan; Zhang, Qunce; Zheng, Xin; Wang, Tianfang

    2015-01-01

    As one component of the Chinese medicine meridian system, the meridian sinew (Jingjin, (see text), tendino-musculo) is specially described as being for acupuncture treatment of the musculoskeletal system because of its dynamic attributes and tender point correlations. In recent decades, the therapeutic importance of the sinew meridian has become revalued in clinical application. Based on this theory, the authors have established therapeutic strategies of acupuncture treatment in Whiplash-Associated Disorders (WAD) by categorizing four types of neck symptom presentations. The advantage of this new system is to make it much easier for the clinician to find effective acupuncture points. This study attempts to prove the significance of the proposed therapeutic strategies by analyzing data collected from a clinical survey of various WAD using non-supervised statistical methods, such as correlation analysis, factor analysis, and cluster analysis. The clinical survey data have successfully verified discrete characteristics of four neck syndromes, based upon the range of motion (ROM) and tender point location findings. A summary of the relationships among the symptoms of the four neck syndromes has shown the correlation coefficient as having a statistical significance (P syndrome factors are more related to the Liver, as originally described in classical theory. The hypothesis of meridian sinew syndromes in WAD is clearly supported by the statistical analysis of the clinical trials. This new discovery should be beneficial in improving therapeutic outcomes.

  15. Nonclassical nucleation and growth of inorganic nanoparticles

    Science.gov (United States)

    Lee, Jisoo; Yang, Jiwoong; Kwon, Soon Gu; Hyeon, Taeghwan

    2016-08-01

    The synthesis of nanoparticles with particular compositions and structures can lead to nanoparticles with notable physicochemical properties, thus promoting their use in various applications. In this area of nanoscience, the focus is shifting from size- and shape-uniform single-component nanoparticles to multicomponent nanoparticles with enhanced performance and/or multifunctionality. With the increasing complexity of synthetic reactions, an understanding of the formation mechanisms of the nanoparticles is needed to enable a systematic synthetic approach. This Review highlights mechanistic studies underlying the synthesis of nanoparticles, with an emphasis on nucleation and growth behaviours that are not expected from classical theories. We discuss the structural properties of nanoclusters that are of a size that bridges molecules and solids. We then describe the role of nanoclusters in the prenucleation process as well as in nonclassical nucleation models. The growth of nanoparticles via the assembly and merging of primary particles is also overviewed. Finally, we present the heterogeneous nucleation mechanisms behind the synthesis of multicomponent nanoparticles.

  16. SU(2)-Invariant Continuum Theory for an Unconventional Phase Transition in a Three-Dimensional Classical Dimer Model

    Science.gov (United States)

    Powell, Stephen; Chalker, J. T.

    2008-10-01

    We derive a continuum theory for the phase transition in a classical dimer model on the cubic lattice, observed in recent Monte Carlo simulations. Our derivation relies on the mapping from a three-dimensional classical problem to a two-dimensional quantum problem, by which the dimer model is related to a model of hard-core bosons on the kagome lattice. The dimer-ordering transition becomes a superfluid Mott insulator quantum phase transition at fractional filling, described by an SU(2)-invariant continuum theory.

  17. Structure Theory for Extended Kepler-Coulomb 3D Classical Superintegrable Systems

    Directory of Open Access Journals (Sweden)

    Ernie G. Kalnins

    2012-06-01

    Full Text Available The classical Kepler-Coulomb system in 3 dimensions is well known to be 2nd order superintegrable, with a symmetry algebra that closes polynomially under Poisson brackets. This polynomial closure is typical for 2nd order superintegrable systems in 2D and for 2nd order systems in 3D with nondegenerate (4-parameter potentials. However the degenerate 3-parameter potential for the 3D extended Kepler-Coulomb system (also 2nd order superintegrable is an exception, as its quadratic symmetry algebra doesn't close polynomially. The 3D 4-parameter potential for the extended Kepler-Coulomb system is not even 2nd order superintegrable. However, Verrier and Evans (2008 showed it was 4th order superintegrable, and Tanoudis and Daskaloyannis (2011 showed that in the quantum case, if a second 4th order symmetry is added to the generators, the double commutators in the symmetry algebra close polynomially. Here, based on the Tremblay, Turbiner and Winternitz construction, we consider an infinite class of classical extended Kepler-Coulomb 3- and 4-parameter systems indexed by a pair of rational numbers (k_1,k_2 and reducing to the usual systems when k_1=k_2=1. We show these systems to be superintegrable of arbitrarily high order and work out explicitly the structure of the symmetry algebras determined by the 5 basis generators we have constructed. We demonstrate that the symmetry algebras close rationally; only for systems admitting extra discrete symmetries is polynomial closure achieved. Underlying the structure theory is the existence of raising and lowering constants of the motion, not themselves polynomials in the momenta, that can be employed to construct the polynomial symmetries and their structure relations.

  18. Nucleation behavior of melted Bi films at cooling rates from 10{sup 1} to 10{sup 4} K/s studied by combining scanning AC and DC nano-calorimetry techniques

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Kechao; Vlassak, Joost J., E-mail: vlassak@esag.harvard.edu

    2015-03-10

    Highlights: • We proposed a general data reduction scheme that combines scanning AC and DC calorimetry results for the study of reaction kinetics. • Calorimetry measurements at cooling rates ranging from 30 K/s to 20,000 K/s were achieved. • Upon initial melting, the Bi thin-film sample breaks up into thousands of isolated islands, and highly repeatable nucleation behavior is observed. • The nucleation rate of melted Bi is calculated, which can be well described by classical nucleation theory over a wide range of cooling rates. - Abstract: We study the nucleation behavior of undercooled liquid Bi at cooling rates ranging from 10{sup 1} to 10{sup 4} K/s using a combination of scanning DC and AC nano-calorimetry techniques. Upon initial melting, the Bi thin-film sample breaks up into silicon nitride-coated isolated islands. The number of islands in a typical sample is sufficiently large that highly repeatable nucleation behavior is observed, despite the stochastic nature of the nucleation process. We establish a data reduction technique to evaluate the nucleation rate from DC and AC calorimetry results. The results show that the driving force for the nucleation of melted Bi is well described by classical nucleation theory over a wide range of cooling rates. The proposed technique provides a unique and efficient way to examine nucleation kinetics with cooling rates over several orders of magnitude. The technique is quite general and can be used to evaluate reaction kinetics in other materials.

  19. Relationship of heterogeneous nucleation and condensational growth on aerosol nanoparticles

    Science.gov (United States)

    Smorodin, Vladimir Y.; Hopke, Philip K.

    2006-12-01

    Heterogeneous nucleation and condensation of dibutylphthalate, octadecane, octadecanol, and octadecanoic acid vapors at various pressures on insoluble AgCl and Ag nanoparticles in a turbulent mixing condensation nuclei counter (TMCNC) have been studied theoretically. A method to interpret the particle size distributions measured with a DMA and estimate the parameters for nucleation on single particles is proposed. Based on this semi-empirical method, the Gibbs free energy is calculated and a rate of heterogeneous nucleation on single particles is estimated directly from the experimental "condensation spectra" of inactive and active CN using the DMA data. In some cases, the dependence of the Gibbs nucleation energy on the vapor supersaturation had two maximums and one minimum, instead of one maximum as described by Gibbs' classical thermodynamics of phase transitions. This phenomenon, called "double barrier nucleation" (DBN) is caused by the surface heterogeneity of nano-CN; this is first experimental verification of DBN that had been previously predicted theoretically. Two types of heterogeneity may be present: topographic or energetic. Focusing on energetic heterogeneity, a theoretical model of DBN for spherical geometry is developed. The surface heterogeneity for insoluble nano-sized CN is shown to be critical to explaining the unusual transformation of a monomodal size distribution of inactive CN into a bimodal distribution of activated CN when coagulation is excluded. Future studies will be directed toward more data for further refining the theory and developing a model that simultaneously accounts for both types of surface heterogeneity of nano-CN.

  20. Toward a quantitative model of metamorphic nucleation and growth

    Science.gov (United States)

    Gaidies, F.; Pattison, D. R. M.; de Capitani, C.

    2011-11-01

    The formation of metamorphic garnet during isobaric heating is simulated on the basis of the classical nucleation and reaction rate theories and Gibbs free energy dissipation in a multi-component model system. The relative influences are studied of interfacial energy, chemical mobility at the surface of garnet clusters, heating rate and pressure on interface-controlled garnet nucleation and growth kinetics. It is found that the interfacial energy controls the departure from equilibrium required to nucleate garnet if attachment and detachment processes at the surface of garnet limit the overall crystallization rate. The interfacial energy for nucleation of garnet in a metapelite of the aureole of the Nelson Batholith, BC, is estimated to range between 0.03 and 0.3 J/m2 at a pressure of ca. 3,500 bar. This corresponds to a thermal overstep of the garnet-forming reaction of ca. 30°C. The influence of the heating rate on thermal overstepping is negligible. A significant feedback is predicted between chemical fractionation associated with garnet formation and the kinetics of nucleation and crystal growth of garnet giving rise to its lognormal—shaped crystal size distribution.

  1. Photo-nucleation theory of correlation of Stream-flow of four South American rivers with Sunspot Cycle

    CERN Document Server

    Brown, W Byers

    2011-01-01

    C.T.R.Wilson showed that when supersaturated water vapour was exposed to ultraviolet radiation from sunlight or other sources in the presence of oxygen it immediately condensed to form an aerosol. This phenomenon was eventually explained as due to the formation of a charge-transfer complex H2O+O2-, whose existence was confirmed theoretically and subsequently established experimentally. It is proposed that the correlation recently discovered between the stream-flow of the Parana and three other rivers in South America and the solar sunspot cycle is due to the photo-nucleation mechanism investigated by Wilson.

  2. Nucleation kinetics, growth and studies of β-alanine single crystals

    Science.gov (United States)

    Shanthi, D.; Selvarajan, P.; HemaDurga, K. K.; Lincy Mary Ponmani, S.

    2013-06-01

    Solubility and metastable zone width for the re-crystallized salt of β-alanine was determined. Induction period measurement for the selected supersaturation ratios at room temperature (31 °C) was carried out for supersaturated aqueous solutions of β-alanine and it is noticed that induction period decreases with increase of supersaturation ratio. The nucleation parameters such as Gibbs free energy change, radius and number of molecules of the critical nucleus, interfacial tension and the nucleation rate have been evaluated by classical nucleation theory. Single crystals of β-alanine were grown using the optimized nucleation parameters by solution method and grown crystals have been subjected to various studies like XRD studies, FTIR, optical, thermal and SHG studies.

  3. Semi-classical theory and experimental research for polarization flipping in a single frequency laser with feedback effect

    Institute of Scientific and Technical Information of China (English)

    Chen Wen-Xue; Zhang Shu-Lian; Zhang Peng; Zeng Zhao-Li

    2012-01-01

    In this paper,we propose a semi-classical theory to successfully explain the polarization flipping in a single frequency laser. An experimental setup is built to verify this theory. The observed experimental phenomena are consistent with the theoretical analysis.We perform phase retardation measurements of birefringent components using this experimental system.The results show that the measurement repeatability is 0.12° and the measurement accuracy is 0.22°.

  4. CFD modelling of most probable bubble nucleation rate from binary mixture with estimation of components' mole fraction in critical cluster

    Science.gov (United States)

    Hong, Ban Zhen; Keong, Lau Kok; Shariff, Azmi Mohd

    2016-05-01

    The employment of different mathematical models to address specifically for the bubble nucleation rates of water vapour and dissolved air molecules is essential as the physics for them to form bubble nuclei is different. The available methods to calculate bubble nucleation rate in binary mixture such as density functional theory are complicated to be coupled along with computational fluid dynamics (CFD) approach. In addition, effect of dissolved gas concentration was neglected in most study for the prediction of bubble nucleation rates. The most probable bubble nucleation rate for the water vapour and dissolved air mixture in a 2D quasi-stable flow across a cavitating nozzle in current work was estimated via the statistical mean of all possible bubble nucleation rates of the mixture (different mole fractions of water vapour and dissolved air) and the corresponding number of molecules in critical cluster. Theoretically, the bubble nucleation rate is greatly dependent on components' mole fraction in a critical cluster. Hence, the dissolved gas concentration effect was included in current work. Besides, the possible bubble nucleation rates were predicted based on the calculated number of molecules required to form a critical cluster. The estimation of components' mole fraction in critical cluster for water vapour and dissolved air mixture was obtained by coupling the enhanced classical nucleation theory and CFD approach. In addition, the distribution of bubble nuclei of water vapour and dissolved air mixture could be predicted via the utilisation of population balance model.

  5. An Analysis of Cross Racial Identity Scale Scores Using Classical Test Theory and Rasch Item Response Models

    Science.gov (United States)

    Sussman, Joshua; Beaujean, A. Alexander; Worrell, Frank C.; Watson, Stevie

    2013-01-01

    Item response models (IRMs) were used to analyze Cross Racial Identity Scale (CRIS) scores. Rasch analysis scores were compared with classical test theory (CTT) scores. The partial credit model demonstrated a high goodness of fit and correlations between Rasch and CTT scores ranged from 0.91 to 0.99. CRIS scores are supported by both methods.…

  6. Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry

    NARCIS (Netherlands)

    Tapavicza, Enrico; Tavernelli, Ivano; Rothlisberger, Ursula; Filippi, Claudia; Casida, Mark E.

    2008-01-01

    We present a mixed time-dependent density-functional theory (TDDFT)/classical trajectory surface hopping (SH) study of the photochemical ring opening in oxirane. Previous preparatory work limited to the symmetric CC ring-opening pathways of oxirane concluded that the Tamm-Dancoff approximation (TDA)

  7. The Effects of Academic and Interpersonal Stress on Dating Violence among College Students: A Test of Classical Strain Theory

    Science.gov (United States)

    Mason, Brandon; Smithey, Martha

    2012-01-01

    This study examines Merton's Classical Strain Theory (1938) as a causative factor in intimate partner violence among college students. We theorize that college students experience general life strain and cumulative strain as they pursue the goal of a college degree. We test this strain on the likelihood of using intimate partner violence. Strain…

  8. Thermoelectric properties of fully hydrogenated graphene: Semi-classical Boltzmann theory

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A. H., E-mail: maalidph@yahoo.co.uk [New Technologies-Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia)

    2015-06-14

    Based on the calculated band structure, the electronic transport coefficients of chair-/boat-like graphane were evaluated by using the semi-classical Boltzmann theory and rigid band model. The maximum value of electrical conductivity for chair (boat)-like graphane of about 1.4 (0.6) × 10{sup 19} (Ωms){sup −1} is achieved at 600 K. The charge carrier concentration and the electrical conductivity linearly increase with increasing the temperature in agreement with the experimental work for graphene. The investigated materials exhibit the highest value of Seebeck coefficient at 300 K. We should emphasize that in the chemical potential between ∓0.125 μ(eV) the investigated materials exhibit minimum value of electronic thermal conductivity, therefore, maximum efficiency. As the temperature increases, the electronic thermal conductivity increases exponentially, in agreement with the experimental data of graphene. We also calculated the power factor of chair-/boat-like graphane at 300 and 600 K as a function of chemical potential between ∓0.25 μ(eV)

  9. Polar-solvation classical density-functional theory for electrolyte aqueous solutions near a wall

    Science.gov (United States)

    Warshavsky, Vadim; Marucho, Marcelo

    2016-04-01

    A precise description of the structural and dielectric properties of liquid water is critical to understanding the physicochemical properties of solutes in electrolyte solutions. In this article, a mixture of ionic and dipolar hard spheres is considered to account for water crowding and polarization effects on ionic electrical double layers near a uniformly charged hard wall. As a unique feature, solvent hard spheres carrying a dipole at their centers were used to model water molecules at experimentally known concentration, molecule size, and dipolar moment. The equilibrium ionic and dipole density profiles of this electrolyte aqueous model were calculated using a polar-solvation classical density-functional theory (PSCDFT). These profiles were used to calculate the charge density distribution, water polarization, dielectric permittivity function, and mean electric potential profiles as well as differential capacitance, excess adsorptions, and wall-fluid surface tension. These results were compared with those corresponding to the pure dipolar model and unpolar primitive solvent model of electrolyte aqueous solutions to understand the role that water crowding and polarization effects play on the structural and thermodynamic properties of these systems. Overall, PSCDFT predictions are in agreement with available experimental data.

  10. Modeling lower critical solution temperature behavior of associating polymer brushes with classical density functional theory.

    Science.gov (United States)

    Gong, Kai; Marshall, Bennett D; Chapman, Walter G

    2013-09-07

    We study the lower critical solution temperature (LCST) behavior of associating polymer brushes (i.e., poly(N-isopropylacrylamide)) using classical density functional theory. Without using any empirical or temperature-dependent parameters, we find the phase transition of polymer brushes from extended to collapsed structure with increasing temperature, indicating the LCST behavior of polymer brushes. The LCST behavior of associating polymer brushes is attributed to the interplay of hydrogen bonding interactions and Lennard-Jones attractions in the system. The effect of grafting density and molecular weight on the phase behavior of associating polymer brushes has been also investigated. We find no LCST behavior at low grafting density or molecular weight. Moreover, increasing grafting density decreases the LCST and swelling ratio of polymer brushes. Similarly, increasing molecular weight decreases the LCST but increases the swelling ratio. At very high grafting density, a partial collapsed structure appears near the LCST. Qualitatively consistent with experiments, our results provide insight into the molecular mechanism of LCST behavior of associating polymer brushes.

  11. Geometric field theory and weak Euler-Lagrange equation for classical relativistic particle-field systems

    CERN Document Server

    Fan, Peifeng; Liu, Jian; Xiang, Nong; Yu, Zhi

    2016-01-01

    A manifestly covariant, or geometric, field theory for relativistic classical particle-field system is developed. The connection between space-time symmetry and energy-momentum conservation laws for the system is established geometrically without splitting the space and time coordinates, i.e., space-time is treated as one identity without choosing a coordinate system. To achieve this goal, we need to overcome two difficulties. The first difficulty arises from the fact that particles and field reside on different manifold. As a result, the geometric Lagrangian density of the system is a function of the 4-potential of electromagnetic fields and also a functional of particles' world-lines. The other difficulty associated with the geometric setting is due to the mass-shell condition. The standard Euler-Lagrange (EL) equation for a particle is generalized into the geometric EL equation when the mass-shell condition is imposed. For the particle-field system, the geometric EL equation is further generalized into a w...

  12. Introducing DInaMo: A Package for Calculating Protein Circular Dichroism Using Classical Electromagnetic Theory

    Directory of Open Access Journals (Sweden)

    Igor V. Uporov

    2015-09-01

    Full Text Available The dipole interaction model is a classical electromagnetic theory for calculating circular dichroism (CD resulting from the π-π* transitions of amides. The theoretical model, pioneered by J. Applequist, is assembled into a package, DInaMo, written in Fortran allowing for treatment of proteins. DInaMo reads Protein Data Bank formatted files of structures generated by molecular mechanics or reconstructed secondary structures. Crystal structures cannot be used directly with DInaMo; they either need to be rebuilt with idealized bond angles and lengths, or they need to be energy minimized to adjust bond lengths and bond angles because it is common for crystal structure geometries to have slightly short bond lengths, and DInaMo is sensitive to this. DInaMo reduces all the amide chromophores to points with anisotropic polarizability and all nonchromophoric aliphatic atoms including hydrogens to points with isotropic polarizability; all other atoms are ignored. By determining the interactions among the chromophoric and nonchromophoric parts of the molecule using empirically derived polarizabilities, the rotational and dipole strengths are determined leading to the calculation of CD. Furthermore, ignoring hydrogens bound to methyl groups is initially explored and proves to be a good approximation. Theoretical calculations on 24 proteins agree with experiment showing bands with similar morphology and maxima.

  13. Ice nucleation from aqueous NaCl droplets with and without marine diatoms

    Directory of Open Access Journals (Sweden)

    P. A. Alpert

    2011-06-01

    Full Text Available Ice formation in the atmosphere by homogeneous and heterogeneous nucleation is one of the least understood processes in cloud microphysics and climate. Here we describe our investigation of the marine environment as a potential source of atmospheric IN by experimentally observing homogeneous ice nucleation from aqueous NaCl droplets and comparing against heterogeneous ice nucleation from aqueous NaCl droplets containing intact and fragmented diatoms. Homogeneous and heterogeneous ice nucleation are studied as a function of temperature and water activity, aw. Additional analyses are presented on the dependence of diatom surface area and aqueous volume on heterogeneous freezing temperatures, ice nucleation rates, ωhet, ice nucleation rate coefficients, Jhet, and differential and cumulative ice nuclei spectra, k(T and K(T, respectively. Homogeneous freezing temperatures and corresponding nucleation rate coefficients are in agreement with the water activity based homogeneous ice nucleation theory within experimental and predictive uncertainties. Our results confirm, as predicted by classical nucleation theory, that a stochastic interpretation can be used to describe the homogeneous ice nucleation process. Heterogeneous ice nucleation initiated by intact and fragmented diatoms can be adequately represented by a modified water activity based ice nucleation theory. A horizontal shift in water activity, Δaw, het = 0.2303, of the ice melting curve can describe median heterogeneous freezing temperatures. Individual freezing temperatures showed no dependence on available diatom surface area and aqueous volume. Determined at median diatom freezing temperatures for aw from 0.8 to 0.99, ωhet~0.11+0.06−0.05 s−1, Jhet~1.0+1.16−0.61×104 cm−2

  14. On the homogeneous and heterogeneous nucleation of some organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Hienola, A.

    2008-07-01

    The conversion of a metastable phase into a thermodynamically stable phase takes place via the formation of clusters. Clusters of different sizes are formed spontaneously within the metastable mother phase, but only those larger than a certain size, called the critical size, will end up growing into a new phase. There are two types of nucleation: homogeneous, where the clusters appear in a uniform phase, and heterogeneous, when pre-existing surfaces are available and clusters form on them. The nucleation of aerosol particles from gas-phase molecules is connected not only with inorganic compounds, but also with nonvolatile organic substances found in atmosphere. The question is which ones of the myriad of organic species have the right properties and are able to participate in nucleation phenomena. This thesis discusses both homogeneous and heterogeneous nucleation, having as theoretical tool the classical nucleation theory (CNT) based on thermodynamics. Different classes of organics are investigated. The members of the first class are four dicarboxylic acids (succinic, glutaric, malonic and adipic). They can be found in both the gas and particulate phases, and represent good candidates for the aerosol formation due to their low vapor pressure and solubility. Their influence on the nucleation process has not been largely investigated in the literature and it is not fully established. The accuracy of the CNT predictions for binary water-dicarboxylic acid systems depends significantly on the good knowledge of the thermophysical properties of the organics and their aqueous solutions. A large part of the thesis is dedicated to this issue. We have shown that homogeneous and heterogeneous nucleation of succinic, glutaric and malonic acids in combination with water is unlikely to happen in atmospheric conditions. However, it seems that adipic acid could participate in the nucleation process in conditions occurring in the upper troposphere. The second class of organics is

  15. Orientation dependence of heterogeneous nucleation at the Cu-Pb solid-liquid interface

    Science.gov (United States)

    Palafox-Hernandez, J. Pablo; Laird, Brian B.

    2016-12-01

    In this work, we examine the effect of surface structure on the heterogeneous nucleation of Pb crystals from the melt at a Cu substrate using molecular-dynamics (MD) simulation. In a previous work [Palafox-Hernandez et al., Acta Mater. 59, 3137 (2011)] studying the Cu/Pb solid-liquid interface with MD simulation, we observed that the structure of the Cu(111) and Cu(100) interfaces was significantly different at 625 K, just above the Pb melting temperature (618 K for the model). The Cu(100) interface exhibited significant surface alloying in the crystal plane in contact with the melt. In contrast, no surface alloying was seen at the Cu(111) interface; however, a prefreezing layer of crystalline Pb, 2-3 atomic planes thick and slightly compressed relative to bulk Pb crystal, was observed to form at the interface. We observe that at the Cu(111) interface the prefreezing layer is no longer present at 750 K, but surface alloying in the Cu(100) interface persists. In a series of undercooling MD simulations, heterogeneous nucleation of fcc Pb is observed at the Cu(111) interface within the simulation time (5 ns) at 592 K—a 26 K undercooling. Nucleation and growth at Cu(111) proceeded layerwise with a nearly planar critical nucleus. Quantitative analysis yielded heterogeneous nucleation barriers that are more than two orders of magnitude smaller than the predicted homogeneous nucleation barriers from classical nucleation theory. Nucleation was considerably more difficult on the Cu(100) surface-alloyed substrate. An undercooling of approximately 170 K was necessary to observe nucleation at this interface within the simulation time. From qualitative observation, the critical nucleus showed a contact angle with the Cu(100) surface of over 90°, indicating poor wetting of the Cu(100) surface by the nucleating phase, which according to classical heterogeneous nucleation theory provides an explanation of the large undercooling necessary to nucleate on the Cu(100) surface

  16. Homogeneous SPC/E water nucleation in large molecular dynamics simulations

    CERN Document Server

    Angelil, R; Tanaka, K; Tanaka, H

    2015-01-01

    We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to $\\sim 4\\cdot 10^6$ molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to $\\sim 10^{19}\\,\\textrm{cm}^{-3}\\textrm{s}^{-1}$, helping close the gap between experimentally measured rates $\\sim 10^{17}\\,\\textrm{cm}^{-3}\\textrm{s}^{-1}$. We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst, a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run avera...

  17. Energetics of high-speed running: integrating classical theory and contemporary observations.

    Science.gov (United States)

    Weyand, Peter G; Bundle, Matthew W

    2005-04-01

    We hypothesized that the anaerobic power and aerobic power outputs during all-out runs of any common duration between 10 and 150 s would be proportional to the maximum anaerobic (E(an-max)) and aerobic powers (E(aer-max)) available to the individual runner. Seventeen runners who differed in E(an-max) and E(aer-max) (5 sprinters, 5 middle-distance runners, and 7 long distance runners) were tested during treadmill running on a 4.6 degrees incline. E(an-max) was estimated from the fastest treadmill speed subjects could attain for eight steps. E(aer-max) was determined from a progressive, discontinuous, treadmill test to failure. Oxygen deficits and rates of uptake were measured to assess the respective anaerobic and aerobic power outputs during 11-16 all-out treadmill runs that elicited failure between 10 and 220 s. We found that, during all-out runs of any common duration, the relative anaerobic and aerobic powers utilized were largely the same for sprint, middle-distance, and long-distance subjects. The similar fractional utilization of the E(an-max) and E(aer-max) available during high-speed running 1) provides empirical values that modify and advance classic theory, 2) allows rates of anaerobic and aerobic energy release to be quantified from individual maxima and run durations, and 3) explains why the high-speed running performances of different event specialists can be accurately predicted (R(2) = 0.97; n = 254) from two direct measurements and the same exponential time constant.

  18. Classical test theory versus Rasch analysis for quality of life questionnaire reduction

    Directory of Open Access Journals (Sweden)

    Lamarca Rosa

    2003-07-01

    Full Text Available Abstract Background Although health-related quality of life (HRQOL instruments may offer satisfactory results, their length often limits the extent to which they are actually applied in clinical practice. Efforts to develop short questionnaires have largely focused on reducing existing instruments. The approaches most frequently employed for this purpose rely on statistical procedures that are considered exponents of Classical Test Theory (CTT. Despite the popularity of CTT, two major conceptual limitations have been pointed out: the lack of an explicit ordered continuum of items that represent a unidimensional construct, and the lack of additivity of rating scale data. In contrast to the CTT approach, the Rasch model provides an alternative scaling methodology that enables the examination of the hierarchical structure, unidimensionality and additivity of HRQOL measures. METHODS: In order to empirically compare CTT and Rasch Analysis (RA results, this paper presents the parallel reduction of a 38-item questionnaire, the Nottingham Health Profile (NHP, through the analysis of the responses of a sample of 9,419 individuals. Results CTT resulted in 20 items (4 dimensions whereas RA in 22 items (2 dimensions. Both instruments showed similar characteristics under CTT requirements: item-total correlation ranged 0.45–0.75 for NHP20 and 0.46–0.68 for NHP22, while reliability ranged 0.82–0.93 and 0.87–94 respectively. Conclusions Despite the differences in content, NHP20 and NHP22 convergent scores also showed high degrees of association (0.78–0.95. Although the unidimensional view of health of the NHP20 and NHP22 composite scores was also confirmed by RA, NHP20 dimensions failed to meet the goodness-of fit criteria established by the Rasch model, precluding the interval-level of measurement of its scores.

  19. Multipole Theory in Electromagnetism: Classical, Quantum and Symmetry Aspects, with Applications

    Energy Technology Data Exchange (ETDEWEB)

    Sihvola, Ari [Helsinki University of Technology (Finland)

    2005-03-11

    everything seems to work well with the 'old' multipole theory. But then the focus is shifted to observables associated with the reflection of waves from a surface. And there the classical analysis fails. This gives the motivation for the following chapters where the transformed multipole theory is represented. As expected, the correct multipole balance restores the physicality of the results in the reflection problem. One of the healthy reminders for an electrical engineer-scientist reading the book is the fact that E and B are the primary electric and magnetic fields. The other two field quantities, D and H, are the response fields (which, by the way, are also shown to be origin-dependent and poorly defined in the framework of classical multipole theory). In defence, however, for these poor latter quantities one can mention the many advantages of the engineering-type constitutive relations where D and B are expressed as responses to E and H. An example is the beautiful symmetry and complete analogy between the electric and magnetic quantities (voltage becomes current and vice versa in the duality transformation) which helps us write down solutions to electromagnetic problems from other known cases. From a pragmatic point of view we would also favour the use of quantities like Poynting vector and energy density (which require the H field). Another discussion-provoking question to the authors of the book might be whether their new multipole balance could be broken in the analysis of artificial materials. New nanotechnological discoveries and devices make it look like engineers can do anything. Perhaps in the design of complex media and metamaterials, a hot topic in today?s materials science, such macroscopic responses can be tailored where a certain high-order multipole contribution dominates over other, more basic ones. Multiple Theory in Electromagnetism is suitable for a broad spectrum of readers: solid-state physicists, molecular chemists, theoretical and

  20. BOOK REVIEW: Multipole Theory in Electromagnetism: Classical, Quantum and Symmetry Aspects, with Applications

    Science.gov (United States)

    Sihvola, Ari

    2005-03-01

    ' multipole theory. But then the focus is shifted to observables associated with the reflection of waves from a surface. And there the classical analysis fails. This gives the motivation for the following chapters where the transformed multipole theory is represented. As expected, the correct multipole balance restores the physicality of the results in the reflection problem. One of the healthy reminders for an electrical engineer-scientist reading the book is the fact that E and B are the primary electric and magnetic fields. The other two field quantities, D and H, are the response fields (which, by the way, are also shown to be origin-dependent and poorly\\endcolumn defined in the framework of classical multipole theory). In defence, however, for these poor latter quantities one can mention the many advantages of the engineering-type constitutive relations where D and B are expressed as responses to E and H. An example is the beautiful symmetry and complete analogy between the electric and magnetic quantities (voltage becomes current and vice versa in the duality transformation) which helps us write down solutions to electromagnetic problems from other known cases. From a pragmatic point of view we would also favour the use of quantities like Poynting vector and energy density (which require the H field). Another discussion-provoking question to the authors of the book might be whether their new multipole balance could be broken in the analysis of artificial materials. New nanotechnological discoveries and devices make it look like engineers can do anything. Perhaps in the design of complex media and metamaterials, a hot topic in todayÂ's materials science, such macroscopic responses can be tailored where a certain high-order multipole contribution dominates over other, more basic ones. Multiple Theory in Electromagnetism is suitable for a broad spectrum of readers: solid-state physicists, molecular chemists, theoretical and experimental optics scientists, radiophysics

  1. A new method to measure homogeneous nucleation rates in shock tubes

    Science.gov (United States)

    Peters, F.

    1983-01-01

    The centered expansion wave of a shock tube is utilized to expand and supersaturate a condensable vapor in small concentration in an inert carrier gas. The supersaturated state, located at the rear of the expansion wave, is preserved for a controlled period and then terminated by a recompressing shock wave. During the period of supersaturation, condensation nuclei are formed homogeneously. The nucleation rate is measured as a function of supersaturation by a Mie-light scattering technique. The method is tested using water and the results are compared with classical nucleation theory.

  2. Stochastic kinetics reveal imperative role of anisotropic interfacial tension to determine morphology and evolution of nucleated droplets in nematogenic films

    Science.gov (United States)

    Bhattacharjee, Amit Kumar

    2017-01-01

    For isotropic fluids, classical nucleation theory predicts the nucleation rate, barrier height and critical droplet size by ac- counting for the competition between bulk energy and interfacial tension. The nucleation process in liquid crystals is less understood. We numerically investigate nucleation in monolayered nematogenic films using a mesoscopic framework, in par- ticular, we study the morphology and kinetic pathway in spontaneous formation and growth of droplets of the stable phase in the metastable background. The parameter κ that quantifies the anisotropic elastic energy plays a central role in determining the geometric structure of the droplets. Noncircular nematic droplets with homogeneous director orientation are nucleated in a background of supercooled isotropic phase for small κ. For large κ, noncircular droplets with integer topological charge, accompanied by a biaxial ring at the outer surface, are nucleated. The isotropic droplet shape in a superheated nematic background is found to depend on κ in a similar way. Identical growth laws are found in the two cases, although an unusual two-stage mechanism is observed in the nucleation of isotropic droplets. Temporal distributions of successive events indi- cate the relevance of long-ranged elasticity-mediated interactions within the isotropic domains. Implications for a theoretical description of nucleation in anisotropic fluids are discussed. PMID:28054600

  3. Stochastic kinetics reveal imperative role of anisotropic interfacial tension to determine morphology and evolution of nucleated droplets in nematogenic films

    Science.gov (United States)

    Bhattacharjee, Amit Kumar

    2017-01-01

    For isotropic fluids, classical nucleation theory predicts the nucleation rate, barrier height and critical droplet size by ac- counting for the competition between bulk energy and interfacial tension. The nucleation process in liquid crystals is less understood. We numerically investigate nucleation in monolayered nematogenic films using a mesoscopic framework, in par- ticular, we study the morphology and kinetic pathway in spontaneous formation and growth of droplets of the stable phase in the metastable background. The parameter κ that quantifies the anisotropic elastic energy plays a central role in determining the geometric structure of the droplets. Noncircular nematic droplets with homogeneous director orientation are nucleated in a background of supercooled isotropic phase for small κ. For large κ, noncircular droplets with integer topological charge, accompanied by a biaxial ring at the outer surface, are nucleated. The isotropic droplet shape in a superheated nematic background is found to depend on κ in a similar way. Identical growth laws are found in the two cases, although an unusual two-stage mechanism is observed in the nucleation of isotropic droplets. Temporal distributions of successive events indi- cate the relevance of long-ranged elasticity-mediated interactions within the isotropic domains. Implications for a theoretical description of nucleation in anisotropic fluids are discussed.

  4. Open and Closed String field theory interpreted in classical Algebraic Topology

    OpenAIRE

    Sullivan, Dennis

    2003-01-01

    There is an interpretation of open string field theory in algebraic topology. An interpretation of closed string field theory can be deduced from this open string theory to obtain as well the interpretation of open and closed string field theory combined.

  5. Effect of Pt Doping on Nucleation and Crystallization in Li2O.2SiO2 Glass: Experimental Measurements and Computer Modeling

    Science.gov (United States)

    Narayan, K. Lakshmi; Kelton, K. F.; Ray, C. S.

    1996-01-01

    Heterogeneous nucleation and its effects on the crystallization of lithium disilicate glass containing small amounts of Pt are investigated. Measurements of the nucleation frequencies and induction times with and without Pt are shown to be consistent with predictions based on the classical nucleation theory. A realistic computer model for the transformation is presented. Computed differential thermal analysis data (such as crystallization rates as a function of time and temperature) are shown to be in good agreement with experimental results. This modeling provides a new, more quantitative method for analyzing calorimetric data.

  6. Failure of classical traffic and transportation theory: The maximization of the network throughput maintaining free flow conditions in network

    CERN Document Server

    Kerner, Boris S

    2016-01-01

    We show that the minimization of travel times in a network as generally accepted in classical traffic and transportation theories deteriorates the traffic system through a considerable increase in the probability of traffic breakdown in the network. We introduce a network characteristic {\\it minimum network capacity} that shows that rather than the minimization of travel times in the network, the minimization of the probability of traffic breakdown in the network maximizes the network throughput at which free flow persists in the whole network.

  7. A New Semi-Symmetric Unified Field Theory of the Classical Fields of Gravity and Electromagnetism

    Directory of Open Access Journals (Sweden)

    Suhendro I.

    2007-10-01

    Full Text Available We attempt to present a classical theoretical framework in which the gravitational and electromagnetic fields are unified as intrinsic geometric objects in the space-time manifold. For this purpose, we first present the preliminary geometric considerations dealing with the metric differential geometry of Cartan connections. The unified field theory is then developed as an extension of the general theory of relativity based on a semi- symmetric Cartan connection which is meant to be as close as possible structurally to the symmetric connection of the Einstein-Riemann space-time.

  8. Ice nucleation properties of mineral dust particles: determination of onset RHi, IN active fraction, nucleation time-lag, and the effect of active sites on contact angles

    Directory of Open Access Journals (Sweden)

    S. Dobbie

    2010-01-01

    Full Text Available A newly developed ice nucleation experimental set up was used to investigate the heterogeneous ice nucleation properties of three Saharan and one Spanish dust particle samples. It was observed that the spread in the onset relative humidities with respect to ice (RHi for Saharan dust particles varied from 104% to 110%, whereas for the Spanish dust from 106% to 110%. The elemental composition analysis shows a prominent Ca feature in the Spanish dust sample which could potentially explain the differences in nucleation threshold. Although the spread in the onset RHi for the three Saharan dust samples were in agreement, the active fractions and nucleation time-lags calculated at various temperature and RHi conditions were found to differ. This could be due to the subtle variation in the elemental composition of the dust samples, and surface irregularities like steps, cracks, cavities etc. A combination of classical nucleation theory and active site theory is used to understand the importance of these surface irregularities on the nucleability parameter, contact angle that is widely used in ice cloud modeling. These calculations show that the surface irregularities can reduce the contact angle by approximately 10 degrees.

  9. Nucleation kinetics of paracetamol-ethanol solutions from metastable zone widths

    Science.gov (United States)

    Mitchell, Niall A.; Frawley, Patrick J.

    2010-09-01

    A study of the nucleation kinetics for a cooling crystallisation of paracetamol-ethanol solutions in a batch reactor is described in this paper. Metastable zone width (MSZW) experiments were conducted in order to estimate the nucleation kinetics of the system. Measured MSZWs can be affected by numerous process parameters, such as cooling rate, concentration, agitation rate, and working volume. Two theoretical approaches were employed to estimate the nucleation kinetics, the classical mass based approach of Nývlt, and a more recent approach by Kubota, which also considers number density. Both approaches were found to produce similar estimates for the nucleation rates of the paracetamol-ethanol solutions as a function of supersaturation for an assumed nucleus size of 10 μm. The theory of Kubota was found to predict satisfactory estimates for the induction time of the nucleation process from MSZW data. The induction time was observed to be independent of the solution temperature as suggested by Kubota's theory. This is a novel finding and serves to validate the induction time theory of Kubota. In this investigation, MSZWs were observed to decrease with increased levels of agitation and found to be independent of working volume.

  10. Niels Bohr as Philosopher of Experiment: Does Decoherence Theory Challenge Bohr's Doctrine of Classical Concepts?

    CERN Document Server

    Camilleri, Kristian

    2015-01-01

    Niels Bohr's doctrine of the primacy of "classical concepts" is arguably his most criticized and misunderstood view. We present a new, careful historical analysis that makes clear that Bohr's doctrine was primarily an epistemological thesis, derived from his understanding of the functional role of experiment. A hitherto largely overlooked disagreement between Bohr and Heisenberg about the movability of the "cut" between measuring apparatus and observed quantum system supports the view that, for Bohr, such a cut did not originate in dynamical (ontological) considerations, but rather in functional (epistemological) considerations. As such, both the motivation and the target of Bohr's doctrine of classical concepts are of a fundamentally different nature than what is understood as the dynamical problem of the quantum-to-classical transition. Our analysis suggests that, contrary to claims often found in the literature, Bohr's doctrine is not, and cannot be, at odds with proposed solutions to the dynamical problem...

  11. Decoherence and the appearance of a classical world in quantum theory.

    Science.gov (United States)

    Giulini, D.; Joos, E.; Kiefer, C.; Kupsch, J.; Stamatescu, I.-O.; Zeh, H. D.

    This book describes the phenomena that arise from the interaction between quantum systems with their environment. The emerging irreversible dynamics of local systems explains the classical behaviour of macroscopic objects. The emergence of superselection rules, observed particle aspects of quantum fields, the occurrence of quantum jumps, and the emergence of classical spacetime from quantum gravity are also discussed. This approach, which is based on the assumed universality of quantum mechanics, is compared and contrasted with others, such as consistent histories, open-system dynamics, and explicit collapse mechanisms.

  12. Non-Noetherian symmetries for oscillators in classical mechanics and in field theory

    Science.gov (United States)

    Hojman, Sergio A.; Delajara, Jamie; Pena, Leda

    1995-01-01

    Infinitely many new conservation laws both for free fields as well as for test fields evolving on a given gravitational background are presented. The conserved currents are constructed using the field theoretical counterpart of a recently discovered non-Noetherian symmetry which gives rise to a new way of solving the classical small oscillations problem. Several examples are discussed.

  13. Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2013-04-01

    Full Text Available In this work, we used the density gradient theory (DGT combined with the cubic equation of state (EoS by Peng and Robinson (PR and the perturbed chain (PC modification of the SAFT EoS developed by Gross and Sadowski [1]. The PR EoS is based on very simplified physical foundations, it has significant limitations in the accuracy of the predicted thermodynamic properties. On the other hand, the PC-SAFT EoS combines different intermolecular forces, e.g., hydrogen bonding, covalent bonding, Coulombic forces which makes it more accurate in predicting of the physical variables. We continued in our previous works [2,3] by solving the boundary value problem which arose by mathematical solution of the DGT formulation and including the boundary conditions. Achieving the numerical solution was rather tricky; this study describes some of the crucial developments that helped us to overcome the partial problems. The most troublesome were computations for low temperatures where we achieved great improvements compared to [3]. We applied the GT for the n-alkanes: nheptane, n-octane, n-nonane, and n-decane because of the availability of the experimental data. Comparing them with our numerical results, we observed great differences between the theories; the best results gave the combination of the GT and the PC-SAFT. However, a certain temperature drift was observed that is not satisfactorily explained by the present theories.

  14. Equation of Motion of a Mass Point in Gravitational Field and Classical Tests of Gauge Theory of Gravity

    Institute of Scientific and Technical Information of China (English)

    WU Ning; ZHANG Da-Hua

    2007-01-01

    A systematic method is developed to study the classical motion of a mass point in gravitational gauge field.First,by using Mathematica,a spherical symmetric solution of the field equation of gravitational gauge field is obtained,which is just the traditional Schwarzschild solution.Combining the principle of gauge covariance and Newton's second law of motion,the equation of motion of a mass point in gravitational field is deduced.Based on the spherical symmetric solution of the field equation and the equation of motion of a mass point in gravitational field,we can discuss classical tests of gauge theory of gravity,including the deflection of light by the sun,the precession of the perihelia of the orbits of the inner planets and the time delay of radar echoes passing the sun.It is found that the theoretical predictions of these classical tests given by gauge theory of gravity are completely the same as those given by general relativity.

  15. Interfacial energies for heterogeneous nucleation of calcium carbonate on mica and quartz.

    Science.gov (United States)

    Li, Qingyun; Fernandez-Martinez, Alejandro; Lee, Byeongdu; Waychunas, Glenn A; Jun, Young-Shin

    2014-05-20

    Interfacial free energies often control heterogeneous nucleation of calcium carbonate (CaCO3) on mineral surfaces. Here we report an in situ experimental study of CaCO3 nucleation on mica (muscovite) and quartz, which allows us to obtain the interfacial energies governing heterogeneous nucleation. In situ grazing incidence small-angle X-ray scattering (GISAXS) was used to measure nucleation rates at different supersaturations. The rates were incorporated into classical nucleation theory to calculate the effective interfacial energies (α'). Ex situ Raman spectroscopy identified both calcite and vaterite as CaCO3 polymorphs; however, vaterite is the most probable heterogeneous nuclei mineral phase. The α' was 24 mJ/m(2) for the vaterite-mica system and 32 mJ/m(2) for the vaterite-quartz system. The smaller α' of the CaCO3-mica system led to smaller particles and often higher particle densities on mica. A contributing factor affecting α' in our system was the smaller structural mismatch between CaCO3 and mica compared to that between CaCO3 and quartz. The extent of hydrophilicity and the surface charge could not explain the observed CaCO3 nucleation trend on mica and quartz. The findings of this study provide new thermodynamic parameters for subsurface reactive transport modeling and contribute to our understanding of mechanisms where CaCO3 formation on surfaces is of concern.

  16. Homogeneous nucleation and growth in supersaturated zinc vapor investigated by molecular dynamics simulation

    Science.gov (United States)

    Römer, F.; Kraska, T.

    2007-12-01

    Homogeneous nucleation and growth of zinc from supersaturated vapor are investigated by nonequilibrium molecular dynamics simulations in the temperature range from 400to800K and for a supersaturation ranging from logS =2 to 11. Argon is added to the vapor phase as carrier gas to remove the latent heat from the forming zinc clusters. A new parametrization of the embedded atom method for zinc is employed for the interaction potential model. The simulation data are analyzed with respect to the nucleation rates and the critical cluster sizes by two different methods, namely, the threshold method of Yasuoka and Matsumoto [J. Chem. Phys. 109, 8451 (1998)] and the mean first passage time method for nucleation by Wedekind et al. [J. Chem. Phys. 126, 134103 (2007)]. The nucleation rates obtained by these methods differ approximately by one order of magnitude. Classical nucleation theory fails to describe the simulation data as well as the experimental data. The size of the critical cluster obtained by the mean first passage time method is significantly larger than that obtained from the nucleation theorem.

  17. Basic Theory and Theory System of Medical Classic of Yellow Emperor%《黄帝内经》的基础理论与理论体系

    Institute of Scientific and Technical Information of China (English)

    马卫东

    2012-01-01

    《黄帝内经》作为中国古代医学的奠基之作,内容十分丰富,并已形成了较为完备的基础理论和理论体系.《内经》的基础理论可以概括为:以阴阳五行学说为理论基础,天地人一体而人为自然界一部分;人体是一个有机整体而五脏为六腑、五体、五官、九窍、四肢、百骸中心的医学理论.而《内经》的理论体系,依其内容可概括为三大组成部分,共九个主要学说.即:生理卫生部分的藏象学说、经络学说、养生运气学说;病因病理部分的病因学说、病机学说、病证学说;辨证施治部分的诊法学说、治则学说、针刺学说.《内经》理论体系的博大精深,在于上述三大组成部分的九个主要学说有其严密的内在逻辑关系.%As the foundation's work of the medical science in ancient China, the Medical Classic of Yellow Emperor had rich content and formed a set of relatively complete basic theory and theory system. The basic theory of Medical Classic of Yellow Emperor can be summarized as: taking the Yin-Yang and five elements philosophy as the basic theory; believing that the Sky, the Ground and the Human being forming a whole and the Human being was one of the parts of the nature; regarding the human body as an organic whole and claiming that the five internal organs were the rulers of the six hollow organs, the five body constituents, the five sense organs, the nine orifices, the four limbs and the hundred human bones. According to its content, the theory system of Medical Classic of Yellow Emperor can be summed up in three major parts and nine main theories: the part of the physiological health consists of the viscera-state doctrine, the Meridian theory and the wellness and breathing exercising theory; the part of the etiology and pathology consists of the cause of disease theory, the pathogenesis theory and the sickness syndrome theory; the part of the differentiation treatment consists of the

  18. Molecular dynamics simulations of bubble nucleation in dark matter detectors.

    Science.gov (United States)

    Denzel, Philipp; Diemand, Jürg; Angélil, Raymond

    2016-01-01

    Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat spike model of F. Seitz [Phys. Fluids (1958-1988) 1, 2 (1958)PFLDAS0031-917110.1063/1.1724333], which uses classical nucleation theory to estimate the amount and the localization of the deposited energy required for bubble formation. Here we report on direct molecular dynamics simulations of heat-spike-induced bubble formation. They allow us to test the nanoscale process described in the classical heat spike model. 40 simulations were performed, each containing about 20 million atoms, which interact by a truncated force-shifted Lennard-Jones potential. We find that the energy per length unit needed for bubble nucleation agrees quite well with theoretical predictions, but the allowed spike length and the required total energy are about twice as large as predicted. This could be explained by the rapid energy diffusion measured in the simulation: contrary to the assumption in the classical model, we observe significantly faster heat diffusion than the bubble formation time scale. Finally we examine α-particle tracks, which are much longer than those of neutrons and potential dark matter particles. Empirically, α events were recently found to result in louder acoustic signals than neutron events. This distinction is crucial for the background rejection in dark matter searches. We show that a large number of individual bubbles can form along an α track, which explains the observed larger acoustic amplitudes.

  19. A concise course on the theory of classical liquids basics and selected topics

    CERN Document Server

    Santos, Andrés

    2016-01-01

    This short primer offers non-specialist readers a concise, yet comprehensive introduction to the field of classical fluids – providing both fundamental information and a number of selected topics to bridge the gap between the basics and ongoing research. In particular, hard-sphere systems represent a favorite playground in statistical mechanics, both in and out of equilibrium, as they represent the simplest models of many-body systems of interacting particles, and at higher temperature and densities they have proven to be very useful as reference systems for real fluids. Moreover, their usefulness in the realm of soft condensed matter has become increasingly recognized – for instance, the effective interaction among (sterically stabilized) colloidal particles can be tuned to almost perfectly match the hard-sphere model. These lecture notes present a brief, self-contained overview of equilibrium statistical mechanics of classical fluids, with special applications to both the structural and thermodynamic pr...

  20. Experimental challenges to theories of classical conditioning: application of an attentional model of storage and retrieval.

    Science.gov (United States)

    Schmajuk, Nestor A; Larrauri, José A

    2006-01-01

    Several studies have recently challenged the accuracy of traditional models of classical conditioning that account for some experimental data in terms of a storage deficit. Among other results, it has been reported that extinction of the blocking or overshadowing stimulus results in the recovery of the response to the blocked or overshadowed stimulus, backward blocking shows spontaneous recovery, extinction of the training context results in the recovery from latent inhibition, interposing a delay between conditioning and testing in latent inhibition increases latent inhibition, and latent inhibition antagonizes overshadowing. An existing neural network model of classical conditioning (N. A. Schmajuk, Y. Lam, & J. A. Gray, 1996), which includes an attentional mechanism controlling both storage and retrieval of associations, is able to quantitatively describe these results.

  1. Applying Classical Ethical Theories to Ethical Decision Making in Public Relations: Perrier's Product Recall.

    Science.gov (United States)

    Pratt, Cornelius B.

    1994-01-01

    Links ethical theories to the management of the product recall of the Perrier Group of America. Argues for a nonsituational theory-based eclectic approach to ethics in public relations to enable public relations practitioners, as strategic communication managers, to respond effectively to potentially unethical organizational actions. (SR)

  2. Thermal imaginary part of a real-time static potential from classical lattice gauge theory simulations

    OpenAIRE

    M. Laine; Philipsen, O.(Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Str. 1, 60438, Frankfurt am Main, Germany); Tassler, M.

    2007-01-01

    Recently, a finite-temperature real-time static potential has been introduced via a Schr\\"odinger-type equation satisfied by a certain heavy quarkonium Green's function. Furthermore, it has been pointed out that it possesses an imaginary part, which induces a finite width for the tip of the quarkonium peak in the thermal dilepton production rate. The imaginary part originates from Landau-damping of low-frequency gauge fields, which are essentially classical due to their high occupation number...

  3. Early history of extended irreversible thermodynamics (1953-1983): An exploration beyond local equilibrium and classical transport theory

    Science.gov (United States)

    Lebon, G.; Jou, D.

    2015-06-01

    This paper gives a historical account of the early years (1953-1983) of extended irreversible thermodynamics (EIT). The salient features of this formalism are to upgrade the thermodynamic fluxes of mass, momentum, energy, and others, to the status of independent variables, and to explore the consistency between generalized transport equations and a generalized version of the second law of thermodynamics. This requires going beyond classical irreversible thermodynamics by redefining entropy and entropy flux. EIT provides deeper foundations, closer relations with microscopic formalisms, a wider spectrum of applications, and a more exciting conceptual appeal to non-equilibrium thermodynamics. We first recall the historical contributions by Maxwell, Cattaneo, and Grad on generalized transport equations. A thermodynamic theory wide enough to cope with such transport equations was independently proposed between 1953 and 1983 by several authors, each emphasizing different kinds of problems. In 1983, the first international meeting on this theory took place in Bellaterra (Barcelona). It provided the opportunity for the various authors to meet together for the first time and to discuss the common points and the specific differences of their previous formulations. From then on, a large amount of applications and theoretical confirmations have emerged. From the historical point of view, the emergence of EIT has been an opportunity to revisit the foundations and to open new avenues in thermodynamics, one of the most classical and well consolidated physical theories.

  4. Higher order classical density functional theory for branched chains and rings.

    Science.gov (United States)

    Marshall, Bennett D; Chapman, Walter G

    2011-12-22

    We develop a general density functional theory for polyatomic molecules by taking the complete association limit of Wertheim's thermodynamic perturbation theory in a general way. By enforcing the complete association limit at an early point in the derivation and introducing the concept of molecular graphs, a general form for the free energy functional and segment densities are developed for both rigid and semiflexible molecules. The theory is applicable to branched chains, rings, or any other molecular structure. As an example the theory is applied as a second order perturbation theory to the case of molecules with a rigid three segment head and a fully flexible tail in a slit pore where bond angle of the rigid portion is an independent variable.

  5. A Hamiltonian theory of adaptive resolution simulations of classical and quantum models of nuclei

    Science.gov (United States)

    Kreis, Karsten; Donadio, Davide; Kremer, Kurt; Potestio, Raffaello

    2015-03-01

    Quantum delocalization of atomic nuclei strongly affects the physical properties of low temperature systems, such as superfluid helium. However, also at room temperature nuclear quantum effects can play an important role for molecules composed by light atoms. An accurate modeling of these effects is possible making use of the Path Integral formulation of Quantum Mechanics. In simulations, this numerically expensive description can be restricted to a small region of space, while modeling the remaining atoms as classical particles. In this way the computational resources required can be significantly reduced. In the present talk we demonstrate the derivation of a Hamiltonian formulation for a bottom-up, theoretically solid coupling between a classical model and a Path Integral description of the same system. The coupling between the two models is established with the so-called Hamiltonian Adaptive Resolution Scheme, resulting in a fully adaptive setup in which molecules can freely diffuse across the classical and the Path Integral regions by smoothly switching their description on the fly. Finally, we show the validation of the approach by means of adaptive resolution simulations of low temperature parahydrogen. Graduate School Materials Science in Mainz, Staudinger Weg 9, 55128 Mainz, Germany.

  6. Direct Calculation of Ice Homogeneous Nucleation Rate for a Molecular Model of Water

    CERN Document Server

    Haji-Akbari, Amir

    2015-01-01

    Ice formation is ubiquitous in nature, with important consequences in a variety of systems and environments, including biological cells [1], soil [2], aircraft [3], transportation infrastructure [4] and atmospheric clouds [5,6]. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water [7-9]. For the more realistic molecular models, only indirect estimates have been obtained, e.g.~by assuming the validity of classical nucleation theory [10]. Here, we use a path sampling approach to perform the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice [11], the most accurate among the existing molecular models for studying ice polymorphs. By using a novel topological order parameter for distinguishing different polymorphs, we are able to identify a freezing me...

  7. A numerical study of void nucleation and growth in a flip chip assembly process

    Science.gov (United States)

    Lee, Sangil; Zhou, Hao Min; Baldwin, Daniel F.

    2010-09-01

    In this study, we develop mathematical models and numerical simulations of void nucleation and growth induced by the chemical reaction in the flip chip package assembly process using a no-flow underfill. During the thermal assembly process, the underfill chemically reacts to the oxidation of solders I/O on the chip, achieving interconnection between chip and substrate. The chemical reaction causes a large number of voids in the thermal reflow process. The voids have been considered as a critical defect, reducing the life of the thermal reliability. This study investigates the mechanism of void nucleation and growth based on classical bubble nucleation theory and bubble dynamics, respectively. This knowledge can provide a theoretical foundation to achieve a void-free assembly process and high reliability performance.

  8. Optimization of crystal nucleation close to a metastable fluid-fluid phase transition.

    Science.gov (United States)

    Wedekind, Jan; Xu, Limei; Buldyrev, Sergey V; Stanley, H Eugene; Reguera, David; Franzese, Giancarlo

    2015-06-22

    The presence of a metastable fluid-fluid critical point is thought to dramatically influence the crystallization pathway, increasing the nucleation rate by many orders of magnitude over the predictions of classical nucleation theory. We use molecular dynamics simulations to study the kinetics of crystallization in the vicinity of this metastable critical point and throughout the metastable fluid-fluid phase diagram. To quantitatively understand how the fluid-fluid phase separation affects the crystal nucleation, we evaluate accurately the kinetics and reconstruct the thermodynamic free-energy landscape of crystal formation. Contrary to expectations, we find no special advantage of the proximity of the metastable critical point on the crystallization rates. However, we find that the ultrafast formation of a dense liquid phase causes the crystallization to accelerate both near the metastable critical point and almost everywhere below the fluid-fluid spinodal line. These results unveil three different scenarios for crystallization that could guide the optimization of the process in experiments.

  9. Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory.

    Science.gov (United States)

    Marsalek, Ondrej; Markland, Thomas E

    2016-02-07

    Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

  10. Selected topics in the classical theory of functions of a complex variable

    CERN Document Server

    Heins, Maurice

    2014-01-01

    Elegant and concise, this text is geared toward advanced undergraduate students acquainted with the theory of functions of a complex variable. The treatment presents such students with a number of important topics from the theory of analytic functions that may be addressed without erecting an elaborate superstructure. These include some of the theory's most celebrated results, which seldom find their way into a first course. After a series of preliminaries, the text discusses properties of meromorphic functions, the Picard theorem, and harmonic and subharmonic functions. Subsequent topics incl

  11. Pressure in the Landau-Ginzburg functional: Pascal's law, nucleation in fluid mixtures, a meanfield theory of amphiphilic action, and interface wetting in glassy liquids

    Science.gov (United States)

    Chan, Ho Yin; Lubchenko, Vassiliy

    2015-09-01

    We set up the problem of finding the transition state for phase nucleation in multi-component fluid mixtures, within the Landau-Ginzburg density functional. We establish an expression for the coordinate-dependent local pressure that applies to mixtures, arbitrary geometries, and certain non-equilibrium configurations. The expression allows one to explicitly evaluate the pressure in spherical geometry, à la van der Waals. Pascal's law is recovered within the Landau-Ginzburg density functional theory, formally analogously to how conservation of energy is recovered in the Lagrangian formulation of mechanics. We establish proper boundary conditions for certain singular functional forms of the bulk free energy density that allow one to obtain droplet solutions with thick walls in essentially closed form. The hydrodynamic modes responsible for mixing near the interface are explicitly identified in the treatment; the composition at the interface is found to depend only weakly on the droplet size. Next we develop a Landau-Ginzburg treatment of the effects of amphiphiles on the surface tension; the amphiphilic action is seen as a violation of Pascal's law. We explicitly obtain the binding potential for the detergent at the interface and the dependence of the down-renormalization of the surface tension on the activity of the detergent. Finally, we argue that the renormalization of the activation barrier for escape from long-lived structures in glassy liquids can be viewed as an action of uniformly seeded, randomly oriented amphiphilic molecules on the interface separating two dissimilar aperiodic structures. This renormalization is also considered as a "wetting" of the interface. The resulting conclusions are consistent with the random first order transition theory.

  12. Pressure in the Landau-Ginzburg functional: Pascal's law, nucleation in fluid mixtures, a meanfield theory of amphiphilic action, and interface wetting in glassy liquids.

    Science.gov (United States)

    Chan, Ho Yin; Lubchenko, Vassiliy

    2015-09-28

    We set up the problem of finding the transition state for phase nucleation in multi-component fluid mixtures, within the Landau-Ginzburg density functional. We establish an expression for the coordinate-dependent local pressure that applies to mixtures, arbitrary geometries, and certain non-equilibrium configurations. The expression allows one to explicitly evaluate the pressure in spherical geometry, à la van der Waals. Pascal's law is recovered within the Landau-Ginzburg density functional theory, formally analogously to how conservation of energy is recovered in the Lagrangian formulation of mechanics. We establish proper boundary conditions for certain singular functional forms of the bulk free energy density that allow one to obtain droplet solutions with thick walls in essentially closed form. The hydrodynamic modes responsible for mixing near the interface are explicitly identified in the treatment; the composition at the interface is found to depend only weakly on the droplet size. Next we develop a Landau-Ginzburg treatment of the effects of amphiphiles on the surface tension; the amphiphilic action is seen as a violation of Pascal's law. We explicitly obtain the binding potential for the detergent at the interface and the dependence of the down-renormalization of the surface tension on the activity of the detergent. Finally, we argue that the renormalization of the activation barrier for escape from long-lived structures in glassy liquids can be viewed as an action of uniformly seeded, randomly oriented amphiphilic molecules on the interface separating two dissimilar aperiodic structures. This renormalization is also considered as a "wetting" of the interface. The resulting conclusions are consistent with the random first order transition theory.

  13. Classical Electron Model with Negative Energy Density in Einstein-Cartan Theory of Gravitation

    CERN Document Server

    Ray, S; Ray, Saibal; Bhadra, Sumana

    2002-01-01

    Experimental result regarding the maximum limit of the radius of the electron \\sim 10^{-16} cm and a few of the theoretical works suggest that the gravitational mass which is a priori a positive quantity in Newtonian mechanics may become negative in general theory of relativity. It is argued that such a negative gravitational mass and hence negative energy density also can be obtained with a better physical interpretation in the framework of Einstein-Cartan theory.

  14. THE CLASSICAL BALLET METHODOLOGY AND THEIR POSSIBLE DIALOGUE WITH LABANIANAS THEORIES

    Directory of Open Access Journals (Sweden)

    Lanusse Sousa Jaime

    2015-12-01

    Full Text Available Establish a dialogue between a codified technique with other body techniques becomes a challenge when it comes to a tradition. Moths new avenues for the ballet teaching may move several problems found with respect to a hierarchy of knowledge. Ballet with its tradition and its stroked paths can be reorganized to build thinking and conscious bodies? The traditional classical technique transits other body language? Often there are more complex issues to think today in teaching and learning ballet . These issues translate my need to research and experiment with new ways to teach this technique.

  15. Semi-classical periodic-orbit theory for chaotic Hamiltonians with discrete symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Seligman, T.H.; Weidenmuller, H.A

    1994-12-07

    We generalize an idea applied recently to the case of identical particles and present a group-theoretical analysis of the periodic-orbit structure of a chaotic dynamical system with a discrete symmetry. The class structure of the group provides the key for the classification of periodic orbits. This structure perfectly fits the quantum-mechanical trace formula which is the starting point for the Balian-Bloch-Gutzwiller semi-classical approximation. For a specific irreducible representation of the symmetry group, we derive a modified form of the periodic-orbit sum. (author)

  16. Field theory and weak Euler-Lagrange equation for classical particle-field systems

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Hong [PPPL; Burby, Joshua W [PPPL; Davidson, Ronald C [PPPL

    2014-10-01

    It is commonly believed that energy-momentum conservation is the result of space-time symmetry. However, for classical particle-field systems, e.g., Klimontovich-Maxwell and Klimontovich- Poisson systems, such a connection hasn't been formally established. The difficulty is due to the fact that particles and the electromagnetic fields reside on different manifolds. To establish the connection, the standard Euler-Lagrange equation needs to be generalized to a weak form. Using this technique, energy-momentum conservation laws that are difficult to find otherwise can be systematically derived.

  17. Classical and Quantum Theory of Photothermal Cavity Cooling of a Mechanical Oscillator

    CERN Document Server

    Restrepo, Juan; Ciuti, Cristiano; Favero, Ivan

    2010-01-01

    Photothermal effects allow very efficient optomechanical coupling between mechanical degrees of freedom and photons. In the context of cavity cooling of a mechanical oscillator, the question of if the quantum ground state of the oscillator can be reached using photothermal back-action has been debated and remains an open question. Here we address this problem by complementary classical and quantum calculations. Both lead us to conclude that: first, the ground-state can indeed be reached using photothermal cavity cooling, second, it can be reached in a regime where the cavity detuning is small allowing a large amount of photons to enter the cavity.

  18. Theory of quantum and classical connections in modeling atomic, molecular and electrodynamical systems

    CERN Document Server

    Popa, Alexandru

    2013-01-01

    Quantum and Classical Connections in Modeling Atomic, Molecular and Electrodynamic Systems is intended for scientists and graduate students interested in the foundations of quantum mechanics and applied scientists interested in accurate atomic and molecular models. This is a reference to those working in the new field of relativistic optics, in topics related to relativistic interactions between very intense laser beams and particles, and is based on 30 years of research. The novelty of this work consists of accurate connections between the properties of quantum equations and correspon

  19. Non-equilibrium statistical field theory for classical particles: Non-linear structure evolution with first-order interaction

    CERN Document Server

    Bartelmann, Matthias; Berg, Daniel; Kozlikin, Elena; Lilow, Robert; Viermann, Celia

    2014-01-01

    We calculate the power spectrum of density fluctuations in the statistical non-equilibrium field theory for classical, microscopic degrees of freedom to first order in the interaction potential. We specialise our result to cosmology by choosing appropriate initial conditions and propagators and show that the non-linear growth of the density power spectrum found in numerical simulations of cosmic structure evolution is reproduced well to redshift zero and for arbitrary wave numbers. The main difference of our approach to ordinary cosmological perturbation theory is that we do not perturb a dynamical equation for the density contrast. Rather, we transport the initial phase-space distribution of a canonical particle ensemble forward in time and extract any collective information from it at the time needed. Since even small perturbations of particle trajectories can lead to large fluctuations in density, our approach allows to reach high density contrast already at first order in the perturbations of the particle...

  20. Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering.

    Science.gov (United States)

    Babikov, Dmitri; Semenov, Alexander

    2016-01-28

    A mixed quantum/classical approach to inelastic scattering (MQCT) is developed in which the relative motion of two collision partners is treated classically, and the rotational and vibrational motion of each molecule is treated quantum mechanically. The cases of molecule + atom and molecule + molecule are considered including diatomics, symmetric-top rotors, and asymmetric-top rotor molecules. Phase information is taken into consideration, permitting calculations of elastic and inelastic, total and differential cross sections for excitation and quenching. The method is numerically efficient and intrinsically parallel. The scaling law of MQCT is favorable, which enables calculations at high collision energies and for complicated molecules. Benchmark studies are carried out for several quite different molecular systems (N2 + Na, H2 + He, CO + He, CH3 + He, H2O + He, HCOOCH3 + He, and H2 + N2) in a broad range of collision energies, which demonstrates that MQCT is a viable approach to inelastic scattering. At higher collision energies it can confidently replace the computationally expensive full-quantum calculations. At low collision energies and for low-mass systems results of MQCT are less accurate but are still reasonable. A proposal is made for blending MQCT calculations at higher energies with full-quantum calculations at low energies.

  1. Ro-vibrational quenching of CO (v = 1) by He impact in a broad range of temperatures: A benchmark study using mixed quantum/classical inelastic scattering theory.

    Science.gov (United States)

    Semenov, Alexander; Ivanov, Mikhail; Babikov, Dmitri

    2013-08-21

    The mixed quantum/classical approach is applied to the problem of ro-vibrational energy transfer in the inelastic collisions of CO(v = 1) with He atom, in order to predict the quenching rate coefficient in a broad range of temperatures 5 quantum/classical theory, because the vibrational quantum in CO molecule is rather large and the quencher is very light (He atom). For heavier quenchers and closer to dissociation limit of the molecule, the mixed quantum/classical theory is expected to work even better.

  2. Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics

    CERN Document Server

    Horsch, Martin; Bernreuther, Martin; Grottel, Sebastian; Reina, Guido; Wix, Andrea; Schaber, Karlheinz; Hasse, Hans

    2009-01-01

    Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a million particles were conducted with a massively parallel MD program. This leads to reliable statistics and makes nucleation rates down to the order of 10^30/(m^3 s) accessible to the direct simulation approach. Simulation results are compared to the classical nucleation theory (CNT) as well as the theory of Laaksonen, Ford, and Kulmala (LFK) which introduces a size dependence of the specific surface energy. CNT describes the nucleation of ethane and carbon dioxide excellently over the entire studied temperature range, whereas LFK provides a better approach to methane at low temperatures.

  3. Free vibration of functionally graded beams based on both classical and first-order shear deformation beam theories

    Institute of Scientific and Technical Information of China (English)

    李世荣; 万泽青; 张静华

    2014-01-01

    The free vibration of functionally graded material (FGM) beams is studied based on both the classical and the first-order shear deformation beam theories. The equations of motion for the FGM beams are derived by considering the shear deforma-tion and the axial, transversal, rotational, and axial-rotational coupling inertia forces on the assumption that the material properties vary arbitrarily in the thickness direction. By using the numerical shooting method to solve the eigenvalue problem of the coupled ordinary differential equations with different boundary conditions, the natural frequen-cies of the FGM Timoshenko beams are obtained numerically. In a special case of the classical beam theory, a proportional transformation between the natural frequencies of the FGM and the reference homogenous beams is obtained by using the mathematical similarity between the mathematical formulations. This formula provides a simple and useful approach to evaluate the natural frequencies of the FGM beams without dealing with the tension-bending coupling problem. Approximately, this analogous transition can also be extended to predict the frequencies of the FGM Timoshenko beams. The numerical results obtained by the shooting method and those obtained by the analogous transformation are presented to show the effects of the material gradient, the slenderness ratio, and the boundary conditions on the natural frequencies in detail.

  4. Pre-ordering of interfacial water in the pathway of heterogeneous ice nucleation does not lead to a two-step crystallization mechanism

    Science.gov (United States)

    Lupi, Laura; Peters, Baron; Molinero, Valeria

    2016-12-01

    According to Classical Nucleation Theory (CNT), the transition from liquid to crystal occurs in a single activated step with a transition state controlled by the size of the crystal embryo. This picture has been challenged in the last two decades by several reports of two-step crystallization processes in which the liquid first produces pre-ordered or dense domains, within which the crystal nucleates in a second step. Pre-ordering preceding crystal nucleation has been recently reported in simulations of ice crystallization, raising the question of whether the mechanism of ice nucleation involves two steps. In this paper, we investigate the heterogeneous nucleation of ice on carbon surfaces. We use molecular simulations with efficient coarse-grained models combined with rare event sampling methods and free energy calculations to elucidate the role of pre-ordering of liquid water at the carbon surface in the reaction coordinate for heterogeneous nucleation. We find that ice nucleation proceeds through a classical mechanism, with a single barrier between liquid and crystal. The reaction coordinate that determines the crossing of the nucleation barrier is the size of the crystal nucleus, as predicted by CNT. Wetting of the critical ice nuclei within pre-ordered domains decreases the nucleation barrier, increasing the nucleation rates. The preferential pathway for crystallization involves the early creation of pre-ordered domains that are the birthplace of the ice crystallites but do not represent a minimum in the free energy pathway from liquid to ice. We conclude that a preferential pathway through an intermediate-order precursor does not necessarily result in a two-step mechanism.

  5. Mechanics and analysis of beams, columns and cables. A modern introduction to the classic theories

    DEFF Research Database (Denmark)

    Krenk, Steen

    The book illustrates the use of simple mathematical analysis techniques within the area of basic structural mechanics, in particular the elementary theories of beams, columns and cables. The focus is on: i) Identification of the physical background of the theories and their particular mathematical...... properties. ii) Demonstration of mathematical techniques for analysis of simple problems in structural mechanics, and identification of the relevant parameters and properties of the solution. iii) Derivation of the solutions to a number of basic problems of structural mechanics in a form suitable for later...

  6. Geometry of dynamics and phase transitions in classical lattice $\\phi^{4}$ theories

    CERN Document Server

    Caiani, L; Clementi, C; Pettini, G; Pettini, M; Gatto, R; Caiani, Lando; Casetti, Lapo; Clementi, Cecilia; Pettini, Giulio; Pettini, Marco; Gatto, Raoul

    1998-01-01

    We perform a microcanonical study of classical lattice phi^4 field models in 3 dimensions with O(n) symmetries. The Hamiltonian flows associated to these systems that undergo a second order phase transition in the thermodynamic limit are here investigated. The microscopic Hamiltonian dynamics neatly reveals the presence of a phase transition through the time averages of conventional thermodynamical observables. Moreover, peculiar behaviors of the largest Lyapunov exponents at the transition point are observed. A Riemannian geometrization of Hamiltonian dynamics is then used to introduce other relevant observables, that are measured as functions of both energy density and temperature. On the basis of a simple and abstract geometric model, we suggest that the apparently singular behaviour of these geometric observables might probe a major topological change of the manifolds whose geodesics are the natural motions.

  7. Mixed quantum-classical dynamics using collective electronic variables: A better alternative to electronic friction theories

    CERN Document Server

    Ryabinkin, Ilya G

    2016-01-01

    An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced electronic states. We propose a mixed quantum-classical scheme that addresses this challenge by introducing collective electronic variables. These variables are defined through analytic block-diagonalization applied to the time-dependent Hamiltonian matrix governing the electronic dynamics. We compare our scheme with the Ehrenfest approach and with a full-memory electronic friction model on a one-dimensional "adatom + atomic chain" model. Our simulations demonstrate that collective-mode dynamics with only few (2-3) electronic variables is robust and can describe a variety of situations: from a chemisorbed atom on an insulator to an atom on a metallic surface. Our molecular model also reveals that the friction approach is prone to unpredictable and catastrophic failures.

  8. Magnetic behavior of the giant Heisenberg molecular magnet Mo_72Fe_30: Classical theory and experiment

    Science.gov (United States)

    Luban, Marshall; Modler, Robert; Axenovich, Maria; Canfield, Paul; Bud'Ko, Sergey; Schröder, Christian; Schnack, Jürgen; Müller, Achim; Kögerler, Paul; Harrison, Neil

    2001-03-01

    The Keplerate species Mo_72Fe_30 containing 30 high-spin Fe^3+ ions, is by far the largest paramagnetic molecule synthesized to date, and it serves as an effective building block and prototype for a new class of diverse molybdenum-oxygen based compounds. These substances are of importance for identifying the most pertinent criteria for the passage from microscopic to macroscopic magnetism, and for their potential as molecular-based electronic and magnetic devices. We report excellent agreement, from room temperature down to 0.1 K, and for magnetic fields up to 60 Tesla between our theoretical results based on the classical Heisenberg model and our measurements of its magnetic properties.

  9. FEATURES OF INVESTMENT PROCESS UNDERSTANDING BY A. SMITH AS THE FOUNDER OF CLASSICAL THEORY

    Directory of Open Access Journals (Sweden)

    T. Ovcharenko

    2013-03-01

    Full Text Available The paper examines the essence and the nature of the concept of “investment”. The main conceptual elements of a scientific theory of Adam Smith are defined. The features of the investment process by Adam Smith as the driving mechanism for social and economic development of a society are revealed.

  10. N = 4 super-Yang-Mills in LHC superspace part I: classical and quantum theory

    Science.gov (United States)

    Chicherin, Dmitry; Sokatchev, Emery

    2017-02-01

    We present a formulation of the maximally supersymmetric N = 4 gauge theory in Lorentz harmonic chiral (LHC) superspace. It is closely related to the twistor formulation of the theory but employs the simpler notion of Lorentz harmonic variables. They parametrize a two-sphere and allow us to handle efficiently infinite towers of higher-spin auxiliary fields defined on ordinary space-time. In this approach the chiral half of N =4 supersymmetry is manifest. The other half is realized non-linearly and the algebra closes on shell. We give a straightforward derivation of the Feynman rules in coordinate space. We show that the LHC formulation of the N = 4 super-Yang-Mills theory is remarkably similar to the harmonic superspace formulation of the N = 2 gauge and hypermultiplet matter theories. In the twin paper arXiv:1601.06804 we apply the LHC formalism to the study of the non-chiral multipoint correlation functions of the N = 4 stress-tensor supermultiplet.

  11. Hamiltonian approach to GR - Part 1: covariant theory of classical gravity

    CERN Document Server

    Cremaschini, Claudio

    2016-01-01

    A challenging issue in General Relativity concerns the determination of the manifestly-covariant continuum Hamiltonian structure underlying the Einstein field equations and the related formulation of the corresponding covariant Hamilton-Jacobi theory. The task is achieved by adopting a synchronous variational principle requiring distinction between the prescribed deterministic metric tensor $\\hat{g}(r)\\equiv \\left\\{ \\hat{g}_{\\mu \

  12. Philosophical Roots of Classical Grounded Theory: Its Foundations in Symbolic Interactionism

    Science.gov (United States)

    Aldiabat, Khaldoun M.; Le Navenec, Carole-Lynne

    2011-01-01

    Although many researchers have discussed the historical relationship between the Grounded Theory methodology and Symbolic Interactionism, they have not clearly articulated the congruency of their salient concepts and assumptions. The purpose of this paper is to provide a thorough discussion of this congruency. A hypothetical example about smoking…

  13. N=4 super-Yang-Mills in LHC superspace. Part I: Classical and quantum theory

    CERN Document Server

    Chicherin, Dmitry

    2016-01-01

    We present a formulation of the maximally supersymmetric N=4 gauge theory in Lorentz harmonic chiral (LHC) superspace. It is closely related to the twistor formulation of the theory but employs the simpler notion of Lorentz harmonic variables. They parametrize a two-sphere and allow us to handle efficiently infinite towers of higher-spin auxiliary fields defined on ordinary space-time. In this approach the chiral half of N=4 supersymmetry is manifest. The other half is realized non-linearly and the algebra closes on shell. We give a straightforward derivation of the Feynman rules in coordinate space. We show that the LHC formulation of the N=4 super-Yang-Mills theory is remarkably similar to the harmonic superspace formulation of the N=2 gauge and hypermultiplet matter theories. In the twin paper \\cite{twin} we apply the LHC formalism to the study of the non-chiral multipoint correlation functions of the N=4 stress-tensor supermultiplet.

  14. Classical stochastic theory for the sticking probability of atoms scattered on surfaces.

    Science.gov (United States)

    Pollak, Eli

    2011-06-30

    A stochastic theory is formulated for the sticking probability of a projectile scattered from a surface. The theory is then explored by applying it to a generalized Langevin equation model of the scattering dynamics. The theory succeeds in describing the known features of trapping on surfaces. At low energies sticking will occur only if there is an attractive interaction between the projectile and the surface. The probability of sticking at low energies is greater the lower the temperature and the deeper the attractive well of the particle as it approaches the surface. The sticking probability in the absence of horizontal friction tends to be lower as the stiffness of the surface increases. However, in the presence of horizontal friction, increased stiffness may lead to an increase in the sticking coefficient. A cos(2)(θ(i)) scaling is found only in the absence of corrugation and horizontal friction. The theory is then applied successfully to describe experimentally measured sticking probabilities for the scattering of Xe on a Pt(111) surface.

  15. Semi-classical theory of fluctuations in nuclear matter; Theorie semi-classique des fluctuations dans la matiere nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Benhassine, B. [Nantes Univ., 44 (France)

    1994-01-14

    At intermediate energies the heavy ion collisions can be studied within the framework of a semi-classical approach based on the Vlasov-Uehling-Uhlenbeck (VUU) equation. Such an approach reduces the N-body problem to its description in terms of the one-body distribution function and constitutes the basis of several successful simulation models. Our aim in this work is to extend these average approaches to treat fluctuations. Within the framework of a linear approximation, we derived a Fokker-Planck transport equation in the one-body phase space. When it is reduced to its first moments, one recovers the VUU equation for the average dynamics together with the time evolution equation for the correlations. The collective transport coefficients are then obtained by projection on the one-body collective space. Independently, using a projection method introduced by Van Kampen, based on the constants of motion, we deduce the stationary expressions for the covariance matrix in phase space. We extract then, the equilibrium dispersions of one-body observables in a homogeneous case and in a spherical symmetric one. These results are compared with two types of simulation models in a relaxation time approximation. In the first one which is of Lagrangian type, the collective transport coefficients are directly extracted from the simulation and consequently the numerical fluctuations are washed out. The second model, due to its Eulerian character, allows us to make a microscopical comparison. (author) 58 refs.

  16. Nonadiabatic Dynamics in Atomistic Environments: Harnessing Quantum-Classical Theory with Generalized Quantum Master Equations.

    Science.gov (United States)

    Pfalzgraff, William C; Kelly, Aaron; Markland, Thomas E

    2015-12-03

    The development of methods that can efficiently and accurately treat nonadiabatic dynamics in quantum systems coupled to arbitrary atomistic environments remains a significant challenge in problems ranging from exciton transport in photovoltaic materials to electron and proton transfer in catalysis. Here we show that our recently introduced MF-GQME approach, which combines Ehrenfest mean field theory with the generalized quantum master equation framework, is able to yield quantitative accuracy over a wide range of charge-transfer regimes in fully atomistic environments. This is accompanied by computational speed-ups of up to 3 orders of magnitude over a direct application of Ehrenfest theory. This development offers the opportunity to efficiently investigate the atomistic details of nonadiabatic quantum relaxation processes in regimes where obtaining accurate results has previously been elusive.

  17. Representations of cohomological Hall algebras and Donaldson-Thomas theory with classical structure groups

    CERN Document Server

    Young, Matthew B

    2016-01-01

    We introduce a new class of representations of the cohomological Hall algebras of Kontsevich and Soibelman which we call cohomological Hall modules, or CoHM for short. These representations are constructed from self-dual representations of a quiver with contravariant involution $\\sigma$ and provide a mathematical model for the space of BPS states in orientifold string theory. We use the CoHM to define a generalization of cohomological Donaldson-Thomas theory of quivers which allows the quiver representations to have orthogonal and symplectic structure groups. The associated invariants are called orientifold Donaldson-Thomas invariants. We prove the integrality conjecture for orientifold Donaldson-Thomas invariants of $\\sigma$-symmetric quivers. We also formulate precise conjectures regarding the geometric meaning of these invariants and the freeness of the CoHM of a $\\sigma$-symmetric quiver. We prove the freeness conjecture for disjoint union quivers, loop quivers and the affine Dynkin quiver of type $\\widet...

  18. Information-theory-based solution of the inverse problem in classical statistical mechanics.

    Science.gov (United States)

    D'Alessandro, Marco; Cilloco, Francesco

    2010-08-01

    We present a procedure for the determination of the interaction potential from the knowledge of the radial pair distribution function. The method, realized inside an inverse Monte Carlo simulation scheme, is based on the application of the maximum entropy principle of information theory and the interaction potential emerges as the asymptotic expression of the transition probability. Results obtained for high density monoatomic fluids are very satisfactory and provide an accurate extraction of the potential, despite a modest computational effort.

  19. Equations of motion in Double Field Theory: from classical particles to quantum cosmology

    CERN Document Server

    Kan, Nahomi; Shiraishi, Kiyoshi

    2012-01-01

    The equation of motion for a point particle in the background field of double field theory is considered. We find that the motion is described by a geodesic flow in the doubled geometry. Inspired by analysis on the particle motion, we propose a modified model of quantum string cosmology, which includes two scale factors. The report is based on Phys. Rev. D84 (2011) 124049 [arXiv:1108.5795].

  20. The marks of the public choice theory in the modern classical writingsKamu tercihi teorisinin modern klasiklerdeki izleri

    Directory of Open Access Journals (Sweden)

    Buğra Kalkan

    2016-10-01

    Full Text Available Public choice, emerged as an economic theory with regard its methodology but focused on political decision making processes and political institutions, has increased its influence on political science in the last twenty years. It is claimed that public choice is a radical disengagement from conventional political studies due to its neo-classical tools applied to politics. But it could also be claimed that public choice has done nothing new but just revived the old topics with a new theoretical tool set, considering the subjects that were examined by the classical political theorists. In this paper, the roots of the subjects examined by public choice theory in the classical writings of the political philosophers are analysed,concerning the problem of social coordination role of the state. These classical thinkers are specified as Machiavelli, Hobbes, Locke and Hume.    Özet Yöntem bakımından ekonomi disiplininden çıkmış olmakla birlikte, konusu itibariyle politik karar süreçlerini ve politik kurumları inceleyen kamu tercihi teorisi, özellikle son yirmi yıldır politika bilimindeki etkinliğini artırmıştır. Kamu tercihinin, neo-klasik iktisadın pek çok aracını politikaya uyarladığı gerekçesi ile geleneksel politika araştırmalarından radikal bir kopuşu temsil ettiği ileri sürülür. Ancak modern politik teorinin bazı klasik filozoflarının ele aldıkları temel konular incelendiğinde, kamu tercihi teorisinin, bu geleneksel sorunsalları yeni teorik kavram setleri ile yeniden canlandırmaktan öte bir iş yapmadıkları da iddia edilebilir. Bu çalışmada devletin ortaya çıkışı ve devletin sosyal işbirliğini sağlamada oynadığı rol üzerinden kamu tercihinin ele aldığı konuların klasik politika yazarlarındaki kökleri incelenmektedir. Bu klasik yazarlar, Machiavelli, Hobbes, Locke ve Hume olarak belirlenmiştir.

  1. TRANSFORMATION KINETICS FOR NUCLEATION ON RANDOM PLANES AND LINES

    Directory of Open Access Journals (Sweden)

    Elena Villa

    2011-11-01

    Full Text Available Birth and growth processes are known in materials science as nucleation and growth processes. In crystalline materials nucleation almost always takes place in an internal crystalline defect. These defects are classified according to their dimensionality: point, line or planar defects. Therefore, investigating nucleation on sets of dimensionality lower than the set in which the transformation takes place is of paramount importance. Cahn (1956 in a classical work derived expressions for transformation kinetics when nucleation took place on random planes and on random straight lines. He used these expressions to describe nucleation in polycrystalline materials. He considered that nucleation on grain faces could be treated as nucleation on random planes and, likewise, nucleation on grain edges could be treated as nucleation on random lines. The present work revisits and generalizes Cahn’s treatment of nucleation on planes and lines. First a general expression for the case of nucleation on lower dimensional sets is obtained. After that general expressions for nucleation on random planes and random lines are given. This paper provides the mathematical basis for the development of more specific expressions to be used in practical applications. Although this work has been done bearing applications to materials science in mind the results obtained here may be applied to birth and growth processes in any field of science.

  2. Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

    Science.gov (United States)

    Dahms, Rainer N.

    2016-04-01

    A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing

  3. Electromagnetic Field Interaction With Transmission Lines From Classical Theory to HF Radiation Effects

    CERN Document Server

    Tkachenko, Sergey V

    2008-01-01

    The evaluation of the electromagnetic field coupling to transmission lines is an important problem in electromagnetic compatibility. The unabated increase in the operating frequency of electronic products and the emergence of sources of disturbances with higher frequency content (such as High Power Microwave and Ultra-Wide Band systems) have led to a breakdown of the TL approximation's basic assumptions for a number of applications. In the last decade or so, the generalization of the TL theory to take into account high frequency effects has emerged as an important topic of study in electromagn

  4. Space-time Dependency of the Time and its Effect on the Relativistic Classical Equation of the String Theory

    Science.gov (United States)

    Gholibeigian, Hassan; Amirshahkarami, Abdolazim; Gholibeigian, Kazem

    2017-01-01

    In special relativity theory, time dilates in velocity of near light speed. Also based on ``Substantial motion'' theory of Sadra, relative time (time flux); R = f (mv , σ , τ) , for each atom is momentum of its involved fundamental particles, which is different from the other atoms. In this way, for modification of the relativistic classical equation of string theory and getting more precise results, we should use effect of dilation and contraction of time in equation. So we propose to add two derivatives of the time's flux to the equation as follows: n.tp∂/R ∂ τ +∂2Xμ/(σ , τ) ∂τ2 = n .tp (∂/R ∂ σ ) +c2∂2Xμ/(σ , τ) ∂σ2 In which, Xμ is space-time coordinates of the string, σ & τ are coordinates on the string world sheet, respectively space and time along the string, string's mass m , velocity of string's motion v , factor n depends on geometry of each hidden extra dimension which relates to its own flux time, and tp is Planck's time. AmirKabir University of Technology, Tehran, Iran.

  5. Nature in economic theories: Hans Immler traces recognition of the environment - and its neglect - in various classics

    Energy Technology Data Exchange (ETDEWEB)

    Karsten, S.G.

    1987-01-01

    Labor and capital are usually considered as the primary factors of production, the costs of which are of utmost importance. In contrast, nature (including all natural resources), as the essential third factor, is disregarded. She is generally assumed to be always available, self-regenerating, and to be exploited without long-term costs. In other words, she is more or less viewed as a constant. Hans Immler's new treatise represents an important contribution in that he emphasized the role and function of the natural environment, and its neglect, in the formulation of theories of value and their long-term consequences on contemporary economic theories and on the person and society. This essay traces Immler's evaluation with extensive quotations - especially with regard to Physiocracy and the classical economists - of nature's role and function, or their neglect, in the formulation of theories of value through the writings of Aristotle, St. Thomas Aquinas, William Petty, John Locke, Adam Smith, David Ricardo, Karl Marx, and others, - all dealt with in Part 1 of his book - and Francois Quesnay and the Physiocrats - the topic of Part 2.

  6. Homogeneous nucleation rate measurements of 1-propanol in helium: the effect of carrier gas pressure.

    Science.gov (United States)

    Brus, David; Zdímal, Vladimír; Stratmann, Frank

    2006-04-28

    Kinetics of homogeneous nucleation in supersaturated vapor of 1-propanol was studied using an upward thermal diffusion cloud chamber. Helium was used as a noncondensable carrier gas and the influence of its pressure on observed nucleation rates was investigated. The isothermal nucleation rates were determined by a photographic method that is independent on any nucleation theory. In this method, the trajectories of growing droplets are recorded using a charge coupled device camera and the distribution of local nucleation rates is determined by image analysis. The nucleation rate measurements of 1-propanol were carried out at four isotherms 260, 270, 280, and 290 K. In addition, the pressure dependence was investigated on the isotherms 290 K (50, 120, and 180 kPa) and 280 K (50 and 120 kPa). The isotherm 270 K was measured at 25 kPa and the isotherm 260 K at 20 kPa. The experiments confirm the earlier observations from several thermal diffusion chamber investigations that the homogeneous nucleation rate of 1-propanol tends to increase with decreasing total pressure in the chamber. In order to reduce the possibility that the observed phenomenon is an experimental artifact, connected with the generally used one-dimensional description of transfer processes in the chamber, a recently developed two-dimensional model of coupled heat, mass, and momentum transfer inside the chamber was used and results of both models were compared. It can be concluded that the implementation of the two-dimensional model does not explain the observed effect. Furthermore the obtained results were compared both to the predictions of the classical theory and to the results of other investigators using different experimental devices. Plotting the experimental data on the so-called Hale plot shows that our data seem to be consistent both internally and also with the data of others. Using the nucleation theorem the critical cluster sizes were obtained from the slopes of the individual isotherms

  7. The Super-Natural Supersymmetry and Its Classic Example: M-Theory Inspired NMSSM

    CERN Document Server

    Li, Tianjun; Wang, Xiao-Chuan

    2015-01-01

    We briefly review the super-natural supersymmetry (SUSY), which provides a most promising solution to the SUSY electroweak fine-tuning problem. In particular, we address its subtle issues as well. Unlike the Minimal Supersymmetric Standard model (MSSM), the Next to MSSM (NMSSM) can be scale invariant and has no mass parameter in its Lagrangian before SUSY and gauge symmetry breakings. Therefore, the NMSSM is a perfect framework for super-natural SUSY. To give the SUSY breaking soft mass to the singlet, we consider the moduli and dilaton dominant SUSY breaking scenarios in M-theory on $S^1/Z_2$. In these scenarios, SUSY is broken by one and only one $F$-term of moduli or dilaton, and the SUSY breaking soft terms can be determined via the K\\"ahler potential and superpotential from Calabi-Yau compactification of M-theory on $S^1/Z_2$. Thus, as predicted by super-natural SUSY, the SUSY electroweak fine-tuning measure is of unity order. In the moduli dominant SUSY breaking scenario, the right-handed sleptons are r...

  8. Decoherence and the Appearance of a Classical World in Quantum Theory

    Energy Technology Data Exchange (ETDEWEB)

    Alicki, R [Instytut Fizyki Teoretycznej i Astrofizyki, Uniwersytet Gdanski, ul Wita Stwosza 57, 80-952 Gdansk (Poland)

    2004-02-06

    In the last decade decoherence has become a very popular topic mainly due to the progress in experimental techniques which allow monitoring of the process of decoherence for single microscopic or mesoscopic systems. The other motivation is the rapid development of quantum information and quantum computation theory where decoherence is the main obstacle in the implementation of bold theoretical ideas. All that makes the second improved and extended edition of this book very timely. Despite the enormous efforts of many authors decoherence with its consequences still remains a rather controversial subject. It touches on, namely, the notoriously confusing issues of quantum measurement theory and interpretation of quantum mechanics. The existence of different points of view is reflected by the structure and content of the book. The first three authors (Joos, Zeh and Kiefer) accept the standard formalism of quantum mechanics but seem to reject orthodox Copenhagen interpretation, Giulini and Kupsch stick to both while Stamatescu discusses models which go beyond the standard quantum theory. Fortunately, most of the presented results are independent of the interpretation and the mathematical formalism is common for the (meta)physically different approaches. After a short introduction by Joos followed by a more detailed review of the basic concepts by Zeh, chapter 3 (the longest chapter) by Joos is devoted to the environmental decoherence. Here the author considers mostly rather 'down to earth' and well-motivated mechanisms of decoherence through collisions with atoms or molecules and the processes of emission, absorption and scattering of photons. The issues of decoherence induced superselection rules and localization of objects including the possible explanation of the molecular structure are discussed in details. Many other topics are also reviewed in this chapter, e.g., the so-called Zeno effect, relationships between quantum chaos and decoherence, the role of

  9. BOOK REVIEW: Decoherence and the Appearance of a Classical World in Quantum Theory

    Science.gov (United States)

    Alicki, R.

    2004-02-01

    In the last decade decoherence has become a very popular topic mainly due to the progress in experimental techniques which allow monitoring of the process of decoherence for single microscopic or mesoscopic systems. The other motivation is the rapid development of quantum information and quantum computation theory where decoherence is the main obstacle in the implementation of bold theoretical ideas. All that makes the second improved and extended edition of this book very timely. Despite the enormous efforts of many authors decoherence with its consequences still remains a rather controversial subject. It touches on, namely, the notoriously confusing issues of quantum measurement theory and interpretation of quantum mechanics. The existence of different points of view is reflected by the structure and content of the book. The first three authors (Joos, Zeh and Kiefer) accept the standard formalism of quantum mechanics but seem to reject orthodox Copenhagen interpretation, Giulini and Kupsch stick to both while Stamatescu discusses models which go beyond the standard quantum theory. Fortunately, most of the presented results are independent of the interpretation and the mathematical formalism is common for the (meta)physically different approaches. After a short introduction by Joos followed by a more detailed review of the basic concepts by Zeh, chapter 3 (the longest chapter) by Joos is devoted to the environmental decoherence. Here the author considers mostly rather `down to earth' and well-motivated mechanisms of decoherence through collisions with atoms or molecules and the processes of emission, absorption and scattering of photons. The issues of decoherence induced superselection rules and localization of objects including the possible explanation of the molecular structure are discussed in details. Many other topics are also reviewed in this chapter, e.g., the so-called Zeno effect, relationships between quantum chaos and decoherence, the role of

  10. Homogeneous nucleation rates of nitric acid dihydrate (NAD at simulated stratospheric conditions – Part II: Modelling

    Directory of Open Access Journals (Sweden)

    O. Möhler

    2006-01-01

    Full Text Available Activation energies ΔGact for the nucleation of nitric acid dihydrate (NAD in supercooled binary HNO3/H2O solution droplets were calculated from volume-based nucleation rate measurements using the AIDA (Aerosol, Interactions, and Dynamics in the Atmosphere aerosol chamber of Forschungszentrum Karlsruhe. The experimental conditions covered temperatures T between 192 and 197 K, NAD saturation ratios SNAD between 7 and 10, and nitric acid molar fractions of the nucleating sub-micron sized droplets between 0.26 and 0.28. Based on classical nucleation theory, a new parameterisation for ΔGact=A×(T ln SNAD−2+B is fitted to the experimental data with A=2.5×106 kcal K2 mol−1 and B=11.2−0.1(T−192 kcal mol−1. A and B were chosen to also achieve good agreement with literature data of ΔGact. The parameter A implies, for the temperature and composition range of our analysis, a mean interface tension σsl=51 cal mol−1 cm−2 between the growing NAD germ and the supercooled solution. A slight temperature dependence of the diffusion activation energy is represented by the parameter B. Investigations with a detailed microphysical process model showed that literature formulations of volume-based (Salcedo et al., 2001 and surface-based (Tabazadeh et al., 2002 nucleation rates significantly overestimate NAD formation rates when applied to the conditions of our experiments.

  11. Nucleation and dissociation of nano-particles in gas phase; Nucleation et evaporation de nanoparticules en phase gazeuse

    Energy Technology Data Exchange (ETDEWEB)

    Feiden, P

    2007-09-15

    This work deals with the study of nano-particles formation in gas phase and their dissociation pathways after an optical excitation. The clusters formation decomposes in two steps: a seed is formed (nucleation phase) and sticks atoms during its propagation in a sodium atomic vapor (growth phase). Those two steps have been observed separately for homogeneous Na{sub n} and heterogeneous Na{sub n}X particles (X = (NaOH){sub 2} or (Na{sub 2}O){sub 2}). The growth mechanism is well interpreted by a Monte Carlo simulation taking into account an accretion mechanism with hard-sphere cross section. The homogeneous nucleation mechanism has been highlighted by a direct comparison with the Classical Nucleation Theory predictions. The clusters fragmentation of ionic Na{sup +}(NaOH){sub p} et Na{sup +}(NaF){sub p} particles is studied in the second part. The way clusters fragment with size when they are excited optically is compared with theoretical previsions: this highlights the existence of an energetic barrier for special size of clusters. Finally, the fragmentation of doubly charged Na{sup +} Na{sup +} (NaOH){sub p} clusters shows a competition between the fission into two single charged fragments and the unimolecular evaporation of a neutral fragment. (author)

  12. Rotational quenching of H2O by He: mixed quantum/classical theory and comparison with quantum results.

    Science.gov (United States)

    Ivanov, Mikhail; Dubernet, Marie-Lise; Babikov, Dmitri

    2014-04-07

    The mixed quantum/classical theory (MQCT) formulated in the space-fixed reference frame is used to compute quenching cross sections of several rotationally excited states of water molecule by impact of He atom in a broad range of collision energies, and is tested against the full-quantum calculations on the same potential energy surface. In current implementation of MQCT method, there are two major sources of errors: one affects results at energies below 10 cm(-1), while the other shows up at energies above 500 cm(-1). Namely, when the collision energy E is below the state-to-state transition energy ΔE the MQCT method becomes less accurate due to its intrinsic classical approximation, although employment of the average-velocity principle (scaling of collision energy in order to satisfy microscopic reversibility) helps dramatically. At higher energies, MQCT is expected to be accurate but in current implementation, in order to make calculations computationally affordable, we had to cut off the basis set size. This can be avoided by using a more efficient body-fixed formulation of MQCT. Overall, the errors of MQCT method are within 20% of the full-quantum results almost everywhere through four-orders-of-magnitude range of collision energies, except near resonances, where the errors are somewhat larger.

  13. Classical phase space and Hadamard states in the BRST formalism for gauge field theories on curved spacetime

    CERN Document Server

    Wrochna, Michał

    2014-01-01

    We investigate linearized gauge theories on globally hyperbolic spacetimes in the BRST formalism. A consistent definition of the classical phase space and of its Cauchy surface analogue is proposed. We prove it is isomorphic to the phase space in the subsidiary condition approach of Hack and Schenkel in the case of Maxwell, Yang-Mills, and Rarita-Schwinger fields. Defining Hadamard states in the BRST formalism in a standard way, their existence in the Maxwell and Yang-Mills case is concluded from known results in the subsidiary condition (or Gupta-Bleuler) formalism. Within our framework, we also formulate criteria for non-degeneracy of the phase space in terms of BRST cohomology and discuss special cases. These include an example in the Yang-Mills case, where degeneracy is not related to a non-trivial topology of the Cauchy surface.

  14. Revisiting Classical Theories on Quality Management%质量管理经典理论再启示

    Institute of Scientific and Technical Information of China (English)

    牟慈

    2015-01-01

    质量是企业的立身之本。重温质量管理经典理论,为增强企业整体质量管理意识,创新管理理念,提升全员质量管理水平夯实理论基础,让中国石化“质量永远领先一步”。%Quality is fundamental to the development of companies. Revisiting classical theories on quality management can facilitate a more solid theoretical basis for the company’s efforts to improve its overall quality management awareness, innovate management philosophies and elevate total quality management level, thereby always keeping SINOPEC“a step ahead in quality”.

  15. Incompatibility of FRC `Self--Colliding Beams' with Classical Large Orbit Theory and Experiment

    Science.gov (United States)

    Maglich, Bogdan

    2012-03-01

    Rosenbluth^1: ``One key physics issue is the behavior of very large gyro radius systems, for which the usual thermal physics is inadequate.''- Rostoker^2 posited (1) 0.42 KeV d^+ FRC can achieve confinement^ τ =30 s observed^3 in self-colliding orbits (SCO) of 725 KeV d^+,^ stabilized by magnet focusing^4 and electrons^5 ; (2) FRC result ^6τ=2 x10-3 s is ``record long lived plasma state for advanced, aneutronic fuels ''; (3) non-intersecting collision-less orbits produce nuclear reactions. (i) Bz(r) of FRC is defocusing, field index n>0. From single particle orbit theory^7,8 destructive instability must occur with τ^ AIP CP 311, 292 (93); 9. J.App.Phys.46, 2915 (75); 10. NIM A346 322 (93); 11.NIM 144, 65 (77)

  16. Supernatural supersymmetry and its classic example: M-theory inspired NMSSM

    Science.gov (United States)

    Li, Tianjun; Raza, Shabbar; Wang, Xiao-Chuan

    2016-06-01

    We briefly review the supernatural supersymmetry (SUSY), which provides a most promising solution to the SUSY electroweak fine-tuning problem. In particular, we address its subtle issues as well. Unlike the minimal supersymmetric standard model (MSSM), the next to MSSM (NMSSM) can be scale invariant and has no mass parameter in its Lagrangian before SUSY and gauge symmetry breakings. Therefore, the NMSSM is a perfect framework for supernatural SUSY. To give the SUSY breaking soft mass to the singlet, we consider the moduli and dilaton dominant SUSY breaking scenarios in M-theory on S1/Z2. In these scenarios, SUSY is broken by one and only one F term of moduli or dilaton, and the SUSY breaking soft terms can be determined via the Kähler potential and superpotential from Calabi-Yau compactification of M-theory on S1/Z2. Thus, as predicted by supernatural SUSY, the SUSY electroweak fine-tuning measure is of unity order. In the moduli dominant SUSY breaking scenario, the right-handed sleptons are relatively light around 1 TeV, stau can even be as light as 580 GeV and degenerate with the lightest neutralino, chargino masses are larger than 1 TeV, the light stop masses are around 2 TeV or larger, the first two-generation squark masses are about 3 TeV or larger, and gluinos are heavier tha.n squarks. In the dilaton dominant SUSY breaking scenario, the qualitative picture remains the same but we have heavier spectra as compared to the moduli dominant SUSY breaking scenario. In addition to it, we have Higgs H2/A1-resonance solutions for dark matter (DM). In both scenarios, the minimal value of DM relic density is about 0.2. To obtain the observed DM relic density, we can consider the dilution effect from supercritical string cosmology or introduce the axino as the lightest supersymmetric particle.

  17. Mathematical philology: entropy information in refining classical texts' reconstruction, and early philologists' anticipation of information theory.

    Science.gov (United States)

    Cisne, John L; Ziomkowski, Robert M; Schwager, Steven J

    2010-01-13

    Philologists reconstructing ancient texts from variously miscopied manuscripts anticipated information theorists by centuries in conceptualizing information in terms of probability. An example is the editorial principle difficilior lectio potior (DLP): in choosing between otherwise acceptable alternative wordings in different manuscripts, "the more difficult reading [is] preferable." As philologists at least as early as Erasmus observed (and as information theory's version of the second law of thermodynamics would predict), scribal errors tend to replace less frequent and hence entropically more information-rich wordings with more frequent ones. Without measurements, it has been unclear how effectively DLP has been used in the reconstruction of texts, and how effectively it could be used. We analyze a case history of acknowledged editorial excellence that mimics an experiment: the reconstruction of Lucretius's De Rerum Natura, beginning with Lachmann's landmark 1850 edition based on the two oldest manuscripts then known. Treating words as characters in a code, and taking the occurrence frequencies of words from a current, more broadly based edition, we calculate the difference in entropy information between Lachmann's 756 pairs of grammatically acceptable alternatives. His choices average 0.26+/-0.20 bits higher in entropy information (95% confidence interval, P = 0.005), as against the single bit that determines the outcome of a coin toss, and the average 2.16+/-0.10 bits (95%) of (predominantly meaningless) entropy information if the rarer word had always been chosen. As a channel width, 0.26+/-0.20 bits/word corresponds to a 0.790.79(+0.09) (-0.15) likelihood of the rarer word being the one accepted in the reference edition, which is consistent with the observed 547/756 = 0.72+/-0.03 (95%). Statistically informed application of DLP can recover substantial amounts of semantically meaningful entropy information from noise; hence the extension copiosior

  18. Nucleation and growth of geological faults

    Directory of Open Access Journals (Sweden)

    D. Stoyan

    2011-08-01

    Full Text Available We present a new model of fault nucleation and growth based on the Weibull theory, already widely used in fracture research engineering. We propose that, according to a birth-and-growth process, germs (nuclei are born at random instants at random spatial locations and then grow with time. This leads to a satisfactory formulation of fault length distribution, different from classical statistical laws. Especially, this formulation reconciles previous analyses of fault datasets displaying power-law and/or exponential behaviors. The Weibull parameters can be statistically estimated in a simple way. We show that the model can be successfully fitted to natural data in Kenya and Ethiopia. In contrast to existing descriptive models developed for geological fault systems, such as fractal approaches, the Weibull theory allows to characterize the strength of the material, i.e. its resistance to deformation. Since this model is very general, we expect that it can be applied in many situations, and for simulations of geological fracture processes. The model is independent of deformation intensity and type and therefore allows a better constraint of the seismic risk in threatened regions.

  19. First Measurements of Time-Dependent Nucleation as a Function of Composition in Na2O.2CaO.3SiO2 Glasses

    Science.gov (United States)

    Kelton, K. F.; Narayan, K. Lakshmi

    1996-01-01

    The first measurements in any system of the composition dependence of the time-dependent nucleation rate are presented Nucleation rates of the stoichiometric crystalline phase, Na2O.2CaO.3SiO2, from quenched glasses made with different SiO2 concentrations were determined as a function of temperature and glass composition. A strong compositional dependence of the nucleation rates and a weak dependence for the induction times are observed. Using measured values of the liquidus temperatures and growth velocities as a function of glass composition, these data are shown to be consistent with predictions from the classical theory of nucleation, assuming a composition-dependent interfacial energy.

  20. Mathematical Philology: Entropy Information in Refining Classical Texts' Reconstruction, and Early Philologists' Anticipation of Information Theory

    Science.gov (United States)

    Cisne, John L.; Ziomkowski, Robert M.; Schwager, Steven J.

    2010-01-01

    Philologists reconstructing ancient texts from variously miscopied manuscripts anticipated information theorists by centuries in conceptualizing information in terms of probability. An example is the editorial principle difficilior lectio potior (DLP): in choosing between otherwise acceptable alternative wordings in different manuscripts, “the more difficult reading [is] preferable.” As philologists at least as early as Erasmus observed (and as information theory's version of the second law of thermodynamics would predict), scribal errors tend to replace less frequent and hence entropically more information-rich wordings with more frequent ones. Without measurements, it has been unclear how effectively DLP has been used in the reconstruction of texts, and how effectively it could be used. We analyze a case history of acknowledged editorial excellence that mimics an experiment: the reconstruction of Lucretius's De Rerum Natura, beginning with Lachmann's landmark 1850 edition based on the two oldest manuscripts then known. Treating words as characters in a code, and taking the occurrence frequencies of words from a current, more broadly based edition, we calculate the difference in entropy information between Lachmann's 756 pairs of grammatically acceptable alternatives. His choices average 0.26±0.20 bits higher in entropy information (95% confidence interval, P = 0.005), as against the single bit that determines the outcome of a coin toss, and the average 2.16±0.10 bits (95%) of (predominantly meaningless) entropy information if the rarer word had always been chosen. As a channel width, 0.26±0.20 bits/word corresponds to a 0.790.79+0.09−0.15 likelihood of the rarer word being the one accepted in the reference edition, which is consistent with the observed 547/756 = 0.72±0.03 (95%). Statistically informed application of DLP can recover substantial amounts of semantically meaningful entropy information from noise; hence the extension copiosior

  1. Mathematical philology: entropy information in refining classical texts' reconstruction, and early philologists' anticipation of information theory.

    Directory of Open Access Journals (Sweden)

    John L Cisne

    Full Text Available Philologists reconstructing ancient texts from variously miscopied manuscripts anticipated information theorists by centuries in conceptualizing information in terms of probability. An example is the editorial principle difficilior lectio potior (DLP: in choosing between otherwise acceptable alternative wordings in different manuscripts, "the more difficult reading [is] preferable." As philologists at least as early as Erasmus observed (and as information theory's version of the second law of thermodynamics would predict, scribal errors tend to replace less frequent and hence entropically more information-rich wordings with more frequent ones. Without measurements, it has been unclear how effectively DLP has been used in the reconstruction of texts, and how effectively it could be used. We analyze a case history of acknowledged editorial excellence that mimics an experiment: the reconstruction of Lucretius's De Rerum Natura, beginning with Lachmann's landmark 1850 edition based on the two oldest manuscripts then known. Treating words as characters in a code, and taking the occurrence frequencies of words from a current, more broadly based edition, we calculate the difference in entropy information between Lachmann's 756 pairs of grammatically acceptable alternatives. His choices average 0.26+/-0.20 bits higher in entropy information (95% confidence interval, P = 0.005, as against the single bit that determines the outcome of a coin toss, and the average 2.16+/-0.10 bits (95% of (predominantly meaningless entropy information if the rarer word had always been chosen. As a channel width, 0.26+/-0.20 bits/word corresponds to a 0.790.79(+0.09 (-0.15 likelihood of the rarer word being the one accepted in the reference edition, which is consistent with the observed 547/756 = 0.72+/-0.03 (95%. Statistically informed application of DLP can recover substantial amounts of semantically meaningful entropy information from noise; hence the extension copiosior

  2. Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Y. [Department of Modern Mechanics, CAS Key Laboratory of Materials Behavior and Design, University of Science and Technology of China, Hefei, Anhui 230027 (China); The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207 (China); Wu, H. A., E-mail: wuha@ustc.edu.cn [Department of Modern Mechanics, CAS Key Laboratory of Materials Behavior and Design, University of Science and Technology of China, Hefei, Anhui 230027 (China); Luo, S. N., E-mail: sluo@pims.ac.cn [The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207 (China)

    2014-06-07

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (∼0.9 J m{sup −2}) and the Tolman length (0.4–0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10{sup 33−34} s{sup −1} m{sup −3}) and critical size (3–4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

  3. Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

    Science.gov (United States)

    Cai, Y.; Wu, H. A.; Luo, S. N.

    2014-06-01

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (˜0.9 J {m}^{-2}) and the Tolman length (0.4-0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (1033 - 34 s-1 m-3) and critical size (3-4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

  4. II - Conservation of Gravitational Energy Momentum and Poincare-Covariant Classical Theory of Gravitation

    CERN Document Server

    Wiesendanger, C

    2011-01-01

    Viewing gravitational energy-momentum $p_G^\\mu$ as equal by observation, but different in essence from inertial energy-momentum $p_I^\\mu$ naturally leads to the gauge theory of volume-preserving diffeormorphisms of an inner Minkowski space ${\\bf M}^{\\sl 4}$. To extract its physical content the full gauge group is reduced to its Poincar\\'e subgroup. The respective Poincar\\'e gauge fields, field strengths and Poincar\\'e-covariant field equations are obtained and point-particle source currents are derived. The resulting set of non-linear field equations coupled to point matter is solved in first order resulting in Lienard-Wiechert-like potentials for the Poincar\\'e fields. After numerical identification of gravitational and inertial energy-momentum Newton's inverse square law for gravity in the static non-relativistic limit is recovered. The Weak Equivalence Principle in this approximation is proven to be valid and spacetime geometry in the presence of Poincar\\'e fields is shown to be curved. Finally, the gravit...

  5. Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response.

    Science.gov (United States)

    Lischner, Johannes; Arias, T A

    2010-02-11

    We present an accurate free-energy functional for liquid water written in terms of a set of effective potential fields in which fictitious noninteracting water molecules move. The functional contains an exact expression of the entropy of noninteracting molecules and thus provides an ideal starting point for the inclusion of complex intermolecular interactions which depend on the orientation of the interacting molecules. We show how an excess free-energy functional can be constructed to reproduce the following properties of water: the dielectric response; the experimental site-site correlation functions; the surface tension; the bulk modulus of the liquid and the variation of this modulus with pressure; the density of the liquid and the vapor phase; and liquid-vapor coexistence. As a demonstration, we present results for the application of this theory to the behavior of liquid water in a parallel plate capacitor. In particular, we make predictions for the dielectric response of water in the nonlinear regime, finding excellent agreement with known data.

  6. Early development of rostrum saw-teeth in a fossil ray tests classical theories of the evolution of vertebrate dentitions.

    Science.gov (United States)

    Smith, Moya Meredith; Riley, Alex; Fraser, Gareth J; Underwood, Charlie; Welten, Monique; Kriwet, Jürgen; Pfaff, Cathrin; Johanson, Zerina

    2015-10-01

    In classical theory, teeth of vertebrate dentitions evolved from co-option of external skin denticles into the oral cavity. This hypothesis predicts that ordered tooth arrangement and regulated replacement in the oral dentition were also derived from skin denticles. The fossil batoid ray Schizorhiza stromeri (Chondrichthyes; Cretaceous) provides a test of this theory. Schizorhiza preserves an extended cartilaginous rostrum with closely spaced, alternating saw-teeth, different from sawfish and sawsharks today. Multiple replacement teeth reveal unique new data from micro-CT scanning, showing how the 'cone-in-cone' series of ordered saw-teeth sets arrange themselves developmentally, to become enclosed by the roots of pre-existing saw-teeth. At the rostrum tip, newly developing saw-teeth are present, as mineralized crown tips within a vascular, cartilaginous furrow; these reorient via two 90° rotations then relocate laterally between previously formed roots. Saw-tooth replacement slows mid-rostrum where fewer saw-teeth are regenerated. These exceptional developmental data reveal regulated order for serial self-renewal, maintaining the saw edge with ever-increasing saw-tooth size. This mimics tooth replacement in chondrichthyans, but differs in the crown reorientation and their enclosure directly between roots of predecessor saw-teeth. Schizorhiza saw-tooth development is decoupled from the jaw teeth and their replacement, dependent on a dental lamina. This highly specialized rostral saw, derived from diversification of skin denticles, is distinct from the dentition and demonstrates the potential developmental plasticity of skin denticles.

  7. Perturbation theory of structure in classical liquid mixtures: Application to metallic systems near phase separation. Ph.D. Thesis

    Science.gov (United States)

    Henderson, R. L.

    1974-01-01

    The partial structure factors of classical simple liquid mixtures near phase separation are dicussed. The theory is developed for particles interacting through pair potentials, and is thus appropriate both to insulating fluids, and also to metallic systems if these may be described by an effective ion-ion pair interaction. The motivation arose from consideration of metallic liquid mixtures, in which resistive anomalies have been observed near phase separation. A mean field theory correction appropriate to 3 pair potential for the effects of correlated motions in the reference fluid is studied. The work is cast in terms of functions which are closely related to the direct correlation functions of Ornstein and Zernike. The results are qualitatively in accord with physical expectations. Quantitative agreement with experiment seems to turn on the selection of the hard core reference potential in terms of the metallic effective pair potential. It is suggested that the present effective pair potentials are perhaps not properly used to calculate the metallic structure factors at long wavelength.

  8. Relativistic semi-classical theory of atom ionization in ultra-intense laser

    Institute of Scientific and Technical Information of China (English)

    CHEN; Baozhen

    2001-01-01

    [1]Schoch, A., Seitliche Versetzung eines total reflektierten strahles bei Utraschallwellen, Acustica, 1952, 2: 17.[2]Neubauer, W. G., Ultrasonic reflection of a bounded beam at Rayleigh and critical angles for a plane liquid-solid interface, J. Appl. Phys., 1973, 44: 48.[3]Ngoc, T. D. K., Mayer, W. G., Numerical integration method for reflected beam profiles near Rayleigh angle, J. Acoust. Soc. Am., 1980, 67, 1149.[4]Nagy, P. B., Cho, K., Focal shift of convergent ultrasonic beams reflected from a liquid-solid interface, J. Acoust. Soc. Am., 1987, 81(4): 835.[5]Bertoni, H. L., Hsue, C. W., Tamir, T., Non-specular reflection of convergent beams from liquid-solid interface, Traitement du Signal, 1985, 2: 201.[6]Zhu Guozhen, Liu Liang, Fu Deyong, Reflected beam displacements of a slightly divergent ultrasonic Gaussian beam on a water-glass interface near Rayleigh angle incidence, Chinese Physics Letters, 1999, 16(11): 819.[7]Bertoni, H. L., Tamir, T., Unified theory of Rayleigh-angle phenomena for acoustic beams onto liquid-solid interface, Appl. Phys., 1973, 2: 157.[8]Zeroug, S., Felsen, L. B., Nonspecular reflection of two- and three-dimensional acoustic beams from fluid-immersed plane-layered elastic structures, J. Acoust. Soc. Am., 1994, 95: 3075.[9]Chimenti, D. E., Zeroug, S. et al., Interaction of acoustic beams with fluid-loaded elastic structures, J. Acoust. Soc. Am., 1994, 95(1): 45.[10]Breazeale, M. A. L., Adler, L., Scott, G. W., Interaction of ultrasonic waves incident at the Rayleigh angle onto a liquid-solid interface, J. Appl. Phys., 1977, 48(2): 530.[11]Ngoc, T. D. K., Mayer, W. G., General description of ultrasonic nonspecular reflection and transmission effects for layered media, IEEE Trans. Sonics Ultrason., 1980, SU-27: 229.[12]Martin, F. D., Breazeale, M. A., J. Acoust. Soc. Am., 1971, 49: 1668.[13]Gunarathne, G. P. P., Szilard, J., A new stroboscope for Schlieren and photoelastic visualization

  9. [Classical taxomomies].

    Science.gov (United States)

    Liubarskiĭ, G Iu

    2006-01-01

    The sequence of classic paradigms in taxonomy that partly replaced each other and partly co-exist is given as follows: the theory of "organ and organism similarity", the naturalistic theory, the descriptive theory, and the phylogenetic theory. The naturalistic classics accepted the notion of "the plan of creation". The rejection of appealing to this plan brought forth certain problems in the formulation of the purpose of taxonomy; these problems were differently solved by the descriptive and the phylogenetic classic traditions. The difficulties of the current paradigms arising from the loss of a "strong purpose", a problem to be solved by taxonomists that is to be clear and interesting to a wide range of non-professionals. The paradox of formalization led to the losing of content of the methods due to their formalization. To attract attention to taxonomy, a new "image of the results" of its work that would be interesting to the non-professionals is necessary. The co-existence of different methods of reseach applied to different groups of facts leads to the loss of integrity of the research. It is not only that the taxon becomes a hypothesis and such hypotheses multiply. The comparison of these hypotheses is problematic, because each of them is supported by its own independent scope of facts. Because of the existence of a fundamental meronotaxonomic discrepancy, taxonomic systems based on different groups of characters appear to be incomparable, being rather systems of characters than systems of taxa. Systems of characters are not directly comparable with each other; they can be compared only through appealing to taxa, but taxa themselves exist only in the form of a number of hypotheses. Consequently, each separate taxonomic approach creates its own nature, its own subject of research. Therefore, it is necessary to describe the subject of research correctly (and indicate the purpose of research), as well as to distinguish clearly between results achieved through

  10. Nucleation in an Ultra Low Ionization Environment

    Science.gov (United States)

    Pedersen, J. O.; Enghoff, M. B.; Paling, S.; Svensmark, H.

    2010-12-01

    Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar activity and climate. In order to understand the effect ions may have on the production of cloud condensation nuclei the overall contribution of ion induced nucleation to the global production of secondary aerosols must be determined. One issue with determining this contribution is that several mechanisms for nucleation exist and it can be difficult to determine the relative importance of the various mechanisms in a given nucleation event when both ion induced and electrically neutral nucleation mechanisms are at work at the same time. We have carried out nucleation experiments in the Boulby Underground Laboratory, located 1100 meters below ground, thus reducing the flux of ionizing cosmic radiation by six orders of magnitude. Similarly we have reduced the gamma background by shielding the experiment in lead and copper. Finally we have used air stored for several weeks and passed through an active charcoal filter in order to reduce the Radon concentration. In this way we have been able to make nucleation experiments with very low ionizing background, meaning that we can rule out ion induced nucleation as a contributing mechanism. Our experimental setup is a 50 L electropolished stainless steel reactor at near atmospheric conditions. The chamber contains clean air with the addition of water vapor, ozone, and SO2. Using UV lights at 254 nm ozone is photolyzed, leading to the production of sulfuric acid and thus aerosols. An 18 MBq Caesium-137 gamma ray source with various amounts of lead in front allows us to alter the ionization in our chamber. By making series of nucleation bursts with varying amounts of ionizing radiation we then gauge the relative importance of ion

  11. Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra.

    Science.gov (United States)

    Mullin, Jonathan; Valley, Nicholas; Blaber, Martin G; Schatz, George C

    2012-09-27

    Multiscale models that combine quantum mechanics and classical electrodynamics are presented, which allow for the evaluation of surface-enhanced Raman (SERS) and hyper-Raman scattering spectra (SEHRS) for both chemical (CHEM) and electrodynamic (EM) enhancement mechanisms. In these models, time-dependent density functional theory (TDDFT) for a system consisting of the adsorbed molecule and a metal cluster fragment of the metal particle is coupled to Mie theory for the metal particle, with the surface of the cluster being overlaid with the surface of the metal particle. In model A, the electromagnetic enhancement from plasmon-excitation of the metal particle is combined with the chemical enhancement associated with a static treatment of the molecule-metal structure to determine overall spectra. In model B, the frequency dependence of the Raman spectrum of the isolated molecule is combined with the enhancements determined in model A to refine the enhancement estimate. An equivalent theory at the level of model A is developed for hyper-Raman spectra calculations. Application to pyridine interacting with a 20 nm diameter silver sphere is presented, including comparisons with an earlier model (denoted G), which combines plasmon enhanced fields with gas-phase Raman (or hyper-Raman) spectra. The EM enhancement factor for spherical particles at 357 nm is found to be 10(4) and 10(6) for SERS and SEHRS, respectively. Including both chemical and electromagnetic mechanisms at the level of model A leads to enhancements on the order of 10(4) and 10(9) for SERS and SEHRS.

  12. The Impact of Technology and Distance Education: A Classical Learning Theory Viewpoint

    Directory of Open Access Journals (Sweden)

    Herb Thompson

    1999-01-01

    Full Text Available For the past two years the author has been teaching economics (History of Economic Thought and Economic Development at the tertiary level via the Internet and computer-mediation. This is done primarily for students who are unable or who do not wish to attend classes on campus, but desire an education as good, if not better, as the campus based enterprise. This paper provides a reflective analysis of the theoretical content of that practice. Teaching ‘online’ is a vastly different enterprise than face-to-face exercises, thereby demanding a revaluation of one’s pedagogical theory and praxis. In The German Ideology, Marx and Engels articulated their claim that historically dominant classes embody their ideas in essential forms, representing them as universally valid. It is within this framework that we begin to examine what it means to "know" in economics. How knowledge is legitimated in universities continues to be under-theorised, particularly with regard to electronic transmission. The mechanism of transmission of particular concern here is that which is computer-mediated. Landow represents hypertext as the latest flowering in a long march of democratic processes originating in the displacement of Platonic authority by the lesser authority of the written word. It is argued here that the determinism of the "progressive narrative" within and around the "hypertext revolution" deserves careful scrutiny, particularly in its application to pedagogy. Pedagogical artefacts, such as computers, mediate the transmission of ideas. The question "how does this happen?" relates to the complexity of theorizing the relationship between the educational process and the social relations of capitalist social formations. Over two decades ago, Bowles and Gintis attempted a Marxist understanding of the nature of this relationship. In their conception, pedagogical mechanisms were seen to operate in a fairly deterministic way to mirror and model the norms and values

  13. Heterogeneous ice nucleation: Exploring the transition from stochastic to singular freezing behavior

    Science.gov (United States)

    Stratmann, F.; Niedermeier, D.; Hartmann, S.; Shaw, R. A.; Clauss, T.; Wex, H.

    2011-12-01

    Heterogeneous ice nucleation directly influences cloud physical processes, precipitation formation, global radiation balances, and therefore Earth's climate (Cantrell and Heymsfield, 2005 and references therein). It is important to understand the heterogeneous freezing process at a fundamental level in order to describe this process in a physically-based way that will behave robustly in weather and climate models. There is longstanding debate as to whether heterogeneous ice nucleation is a stochastic process (e.g., Carte, 1956) or whether it exhibits singular behaviour (e.g., Langham and Mason, 1958). Fundamentally, the stochastic ice nucleation behavior implies ice nucleation being time dependent, while singular behavior is characterized by ice nucleation taking place on specific particle surface sites at a certain temperature and being time independent (Vali and Stansbury, 1966). We addressed this issue using both experimental and theoretical methods. Experiments focused on immersion freezing of Arizona Test Dust (ATD) were carried out using the Leipzig Aerosol Cloud Interaction Simulator (LACIS), a seven meter long laminar flow diffusion chamber. Both, temperature and time dependencies of ATD-particle induced immersion freezing were investigated. It was found, that ATD-particle induced immersion freezing took place over a wide temperature range and exhibited no detectable time dependence within the range investigated. The theoretical investigations were carried out using a Classical Nucleation Theory (CNT) based, i.e., purely stochastic, numerical model. This idealized model treats statistically similar particles as being covered with surface sites (patches of finite area) characterized by different nucleation barriers, but with each surface site following the stochastic nature of ice embryo formation. The model provides a phenomenological explanation for seemingly contradictory experimental results obtained in the past. Based on CNT alone, a population of

  14. The Theory of Clinical Medicine of Huangdi's Classic of Internal Medicine%《黄帝内经》的临床医学理论

    Institute of Scientific and Technical Information of China (English)

    周安方

    2011-01-01

    The rich theory of clinical medicine of Huangdi 's Classic of Internal Medicine includes the clinical guiding ideology, theory of pathogenic factor and pathogenesis, theory of clinical diagnosis and examination, theory of clinical differentiation of syndrome, theory of clinical treatment. And the clinical guiding ideology includes the ideology of people o-riented, prevention foremost and harmony premium. And the theory of clinical treatment includes theory of root treatment, theory of yin - yang balance, theory of harmony of Qi and blood, theory of harmony of healthy Qi and pathogenic factor, theory of naturopathy, theory of five elements restraint, theory of opposition treatment, theory of correspondence between flavors and viscera. The theories and methods of Huangdis Classic of Internal Medicine have significant guiding effects on TCM clinic.%的临床医学理论非常丰富,它包括临床指导思想、病因病机理论、临床诊察理论、临床辩证理论、临床论治理论等,其临床指导思想包括以人为本思想、以防为主思想、以和为贵思想;其临床论治理论包括治病求本理论、阴阳求衡理论、气血求和理论、正邪求谐理论、时势求顺理论、五行制胜理论、以此治彼理论、各有所宜理论等.的这些理论及其方法,对中医临床具有重要的指导作用.

  15. Inelastic Scattering of Identical Molecules within Framework of the Mixed Quantum/Classical Theory: Application to Rotational Excitations in H2 + H2.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2016-06-09

    Theoretical foundation is laid out for description of permutation symmetry in the inelastic scattering processes that involve collisions of two identical molecules, within the framework of the mixed quantum/classical theory (MQCT). In this approach, the rotational (and vibrational) states of two molecules are treated quantum-mechanically, whereas their translational motion (responsible for scattering) is treated classically. This theory is applied to H2 + H2 system, and the state-to-state transition cross sections are compared versus those obtained from the full-quantum calculations and experimental results from the literature. Good agreement is found in all cases. It is also found that results of MQCT, where the Coriolis coupling is included classically, are somewhat closer to exact full-quantum results than results of the other approximate quantum methods, where those coupling terms are neglected. These new developments allow applications of MQCT to a broad variety of molecular systems and processes.

  16. The effects of academic and interpersonal stress on dating violence among college students: a test of classical strain theory.

    Science.gov (United States)

    Mason, Brandon; Smithey, Martha

    2012-03-01

    This study examines Merton's Classical Strain Theory (1938) as a causative factor in intimate partner violence among college students. We theorize that college students experience general life strain and cumulative strain as they pursue the goal of a college degree. We test this strain on the likelihood of using intimate partner violence. Strain due to unrealistic expectations of intimate partnership and economic strain are also examined. The analysis examines the following causative factors representing strain: 1) the College Undergraduate Stress Scale (Renner & Mackin, 1998); 2) cumulative academic strain measured by college classification; 3) cumulative intimate partner strain measured as the length of time in the relationship; 4) academic strain measured by number of hours studied weekly, and 5) economic strain measured by number of hours worked weekly. Additionally, we examine the extent to which gender and race/ethnicity differentially affect intimate partner in the context of these measures of strain. The Conflict Tactics Scales II (Straus et al, 1996) are used to measure dating violence and include indicators for sexual coercion, physical aggression, injury, and psychological aggression. Data were collected from 142 students in lower-division classes from Texas Tech University. Results show that general strain and cumulative intimate partner strain increase the use of dating violence among college students. The longer dating partners are in a relationship, the higher the chances of psychological aggression, physical assault, and sexual coercion. Converse to our expectations, time spent working reduces psychological aggression due to reducing time spent together rather than reflecting economic strain.

  17. Dense ionic fluids confined in planar capacitors: in- and out-of-plane structure from classical density functional theory

    Science.gov (United States)

    Härtel, Andreas; Samin, Sela; van Roij, René

    2016-06-01

    The ongoing scientific interest in the properties and structure of electric double layers (EDLs) stems from their pivotal role in (super)capacitive energy storage, energy harvesting, and water treatment technologies. Classical density functional theory (DFT) is a promising framework for the study of the in- and out-of-plane structural properties of double layers. Supported by molecular dynamics simulations, we demonstrate the adequate performance of DFT for analyzing charge layering in the EDL perpendicular to the electrodes. We discuss charge storage and capacitance of the EDL and the impact of screening due to dielectric solvents. We further calculate, for the first time, the in-plane structure of the EDL within the framework of DFT. While our out-of-plane results already hint at structural in-plane transitions inside the EDL, which have been observed recently in simulations and experiments, our DFT approach performs poorly in predicting in-plane structure in comparison to simulations. However, our findings isolate fundamental issues in the theoretical description of the EDL within the primitive model and point towards limitations in the performance of DFT in describing the out-of-plane structure of the EDL at high concentrations and potentials.

  18. Efficiency of organelle capture by microtubules as a function of centrosome nucleation capacity: general theory and the special case of polyspermia.

    Directory of Open Access Journals (Sweden)

    Ivan V Maly

    Full Text Available Transport of organelles along microtubules is essential for the cell metabolism and morphogenesis. The presented analysis derives the probability that an organelle of a given size comes in contact with the microtubule aster. The question is asked how this measure of functionality of the microtubule aster is controlled by the centrosome. A quantitative model is developed to address this question. It is shown that for the given set of cellular parameters, such as size and total tubulin content, a centrosome nucleation capacity exists that maximizes the probability of the organelle capture. The developed general model is then applied to the capture of the female pronucleus by microtubules assembled on the sperm centrosome, following physiologically polyspermic fertilization. This application highlights an unintuitive reflection of nonlinearity of the nucleated polymerization of the cellular pool of tubulin. The prediction that the sperm centrosome should lower its nucleation capacity in the face of the competition from the other sperm is a stark illustration of the new optimality principle. Overall, the model calls attention to the capabilities of the centrosomal pathway of regulation of the transport-related functionality of the microtubule cytoskeleton. It establishes a quantitative and conceptual framework that can guide experiment design and interpretation.

  19. Influence of aerosol lifetime on the interpretation of nucleation experiments with respect to the first nucleation theorem

    Directory of Open Access Journals (Sweden)

    S. Ehrhart

    2013-04-01

    Full Text Available The SAWNUC microphysical aerosol nucleation model is used to study the effect of reactor walls on the interpretation of nucleation experiments with respect to nucleation theory. This work shows that loss processes, such as wall losses, influence the interpretation of nucleation experiments, especially at low growth rates and short lifetime of freshly nucleated particles. In these cases the power dependency of the formation rates, determined at a certain particle size, with respect to H2SO4 does not correspond to the approximate number of H2SO4 molecules in the critical cluster as expected by the first nucleation theorem. Observed ∂log(J/∂log([H2SO4] therefore can vary widely for identical nucleation conditions but different sink terms.

  20. Analysis of isothermal and cooling-rate-dependent immersion freezing by a unifying stochastic ice nucleation model

    Science.gov (United States)

    Alpert, Peter A.; Knopf, Daniel A.

    2016-02-01

    Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature, T, and relative humidity, RH, at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature) and cooling-rate-dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nucleating particles (INPs) all have the same INP surface area (ISA); however, the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. Descriptions of ice active sites and variability of contact angles have been successfully formulated to describe ice nucleation experimental data in previous research; however, we consider the ability of a stochastic freezing model founded on classical nucleation theory to reproduce previous results and to explain experimental uncertainties and data scatter. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses parameters including the total number of droplets, Ntot, and the heterogeneous ice nucleation rate coefficient, Jhet(T). This model is applied to address if (i) a time and ISA-dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii) the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and acoustically levitated droplets

  1. Nonequilibrium thermodynamics of nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Schweizer, M., E-mail: marco.schweizer@math.ethz.ch [ETH Zurich, Department of Materials, Polymer Physics, Vladimir-Prelog-Weg 2, 8093 Zurich (Switzerland); Sagis, L. M. C., E-mail: leonard.sagis@wur.nl [ETH Zurich, Department of Materials, Polymer Physics, Vladimir-Prelog-Weg 2, 8093 Zurich (Switzerland); Food Physics Group, Wageningen University, Bornse Weilanden, 6708 WG Wageningen (Netherlands)

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  2. Finite element modelling versus classic beam theory: comparing methods for stress estimation in a morphologically diverse sample of vertebrate long bones.

    Science.gov (United States)

    Brassey, Charlotte A; Margetts, Lee; Kitchener, Andrew C; Withers, Philip J; Manning, Phillip L; Sellers, William I

    2013-02-01

    Classic beam theory is frequently used in biomechanics to model the stress behaviour of vertebrate long bones, particularly when creating intraspecific scaling models. Although methodologically straightforward, classic beam theory requires complex irregular bones to be approximated as slender beams, and the errors associated with simplifying complex organic structures to such an extent are unknown. Alternative approaches, such as finite element analysis (FEA), while much more time-consuming to perform, require no such assumptions. This study compares the results obtained using classic beam theory with those from FEA to quantify the beam theory errors and to provide recommendations about when a full FEA is essential for reasonable biomechanical predictions. High-resolution computed tomographic scans of eight vertebrate long bones were used to calculate diaphyseal stress owing to various loading regimes. Under compression, FEA values of minimum principal stress (σ(min)) were on average 142 per cent (±28% s.e.) larger than those predicted by beam theory, with deviation between the two models correlated to shaft curvature (two-tailed p = 0.03, r(2) = 0.56). Under bending, FEA values of maximum principal stress (σ(max)) and beam theory values differed on average by 12 per cent (±4% s.e.), with deviation between the models significantly correlated to cross-sectional asymmetry at midshaft (two-tailed p = 0.02, r(2) = 0.62). In torsion, assuming maximum stress values occurred at the location of minimum cortical thickness brought beam theory and FEA values closest in line, and in this case FEA values of τ(torsion) were on average 14 per cent (±5% s.e.) higher than beam theory. Therefore, FEA is the preferred modelling solution when estimates of absolute diaphyseal stress are required, although values calculated by beam theory for bending may be acceptable in some situations.

  3. Ice nucleation terminology

    Directory of Open Access Journals (Sweden)

    G. Vali

    2014-08-01

    Full Text Available Progress in the understanding of ice nucleation is being hampered by the lack of uniformity in how some terms are used in the literature. This even extends to some ambiguity of meanings attached to some terms. Suggestions are put forward here for common use of terms. Some are already well established and clear of ambiguities. Others are less engrained and will need a conscious effort in adoption. Evolution in the range of systems where ice nucleation is being studied enhances the need for a clear nomenclature. The ultimate limit in the clarity of definitions is, of course, the limited degree to which ice nucleation processes are understood.

  4. Direct Measurement of the Bubble Nucleation Energy Threshold in a CF3I Bubble Chamber

    CERN Document Server

    Behnke, E; Brice, S J; Broemmelsiek, D; Collar, J I; Cooper, P S; Crisler, M; Dahl, C E; Fustin, D; Hall, J; Harnish, C; Levine, I; Lippincott, W H; Moan, T; Nania, T; Neilson, R; Ramberg, E; Robinson, A E; Sonnenschein, A; Vázquez-Jáuregui, E; Rivera, R A; Uplegger, L

    2013-01-01

    We have directly measured the energy threshold and efficiency for bubble nucleation from iodine recoils in a CF3I bubble chamber in the energy range of interest for a dark matter search. These interactions cannot be probed by standard neutron calibration methods, so we develop a new technique by observing the elastic scattering of 12 GeV/c negative pions. The pions are tracked with a silicon pixel telescope and the reconstructed scattering angle provides a measure of the nuclear recoil kinetic energy. The bubble chamber was operated with a nominal threshold of (13.6+-0.6) keV. Interpretation of the results depends on the response to fluorine and carbon recoils, but in general we find agreement with the predictions of the classical bubble nucleation theory. This measurement confirms the applicability of CF3I as a target for spin-independent dark matter interactions and represents a novel technique for calibration of superheated fluid detectors.

  5. Pressure broadening of the electric dipole and Raman lines of CO2 by argon: Stringent test of the classical impact theory at different temperatures on a benchmark system

    Science.gov (United States)

    Ivanov, Sergey V.; Buzykin, Oleg G.

    2016-12-01

    A classical approach is applied to calculate pressure broadening coefficients of CO2 vibration-rotational spectral lines perturbed by Ar. Three types of spectra are examined: electric dipole (infrared) absorption; isotropic and anisotropic Raman Q branches. Simple and explicit formulae of the classical impact theory are used along with exact 3D Hamilton equations for CO2-Ar molecular motion. The calculations utilize vibrationally independent most accurate ab initio potential energy surface (PES) of Hutson et al. expanded in Legendre polynomial series up to lmax = 24. New improved algorithm of classical rotational frequency selection is applied. The dependences of CO2 half-widths on rotational quantum number J up to J=100 are computed for the temperatures between 77 and 765 K and compared with available experimental data as well as with the results of fully quantum dynamical calculations performed on the same PES. To make the picture complete, the predictions of two independent variants of the semi-classical Robert-Bonamy formalism for dipole absorption lines are included. This method. however, has demonstrated poor accuracy almost for all temperatures. On the contrary, classical broadening coefficients are in excellent agreement both with measurements and with quantum results at all temperatures. The classical impact theory in its present variant is capable to produce quickly and accurately the pressure broadening coefficients of spectral lines of linear molecules for any J value (including high Js) using full-dimensional ab initio - based PES in the cases where other computational methods are either extremely time consuming (like the quantum close coupling method) or give erroneous results (like semi-classical methods).

  6. Examination of surface nucleation during the growth of long alkane crystals by molecular dynamics simulation

    Science.gov (United States)

    Bourque, Alexander; Rutledge, Gregory

    2015-03-01

    Crystal growth from the melt of n-pentacontane (C50) was studied by molecular dynamics simulation using a validated united atom model. By quenching below the melting temperature of C50 (370 K), propagation of the crystal growth front into the C50 melt from a crystalline polyethylene surface was observed. By tracking the location of the midpoint in the orientational order parameter profile between the crystal and melt, crystal growth rates between 0.015-0.040 m/s were observed, for quench depths of 10 to 70 K below the melting point. In this work, surface nucleation is identified with the formation of 2D clusters of crystalline sites within layers parallel to the propagating growth front, by analogy to the formation of 3D clusters in primary, homogeneous nucleation. These surface nucleation events were tracked over several layers and numerous simulations, and a mean first passage time analysis was employed to estimate critical nucleus sizes, induction times and rates for surface nucleation. Based on new insights provided by the detailed molecular trajectories obtained from simulation, the classical theory proposed by Lauritzen and Hoffman is re-examined.

  7. Nucleation and crystallization process of silicon using Stillinger-Weber potential

    Science.gov (United States)

    Beaucage, Philippe; Mousseau, Normand

    2004-03-01

    Philippe Beaucage and Normand Mousseau Département de physique and RQMP, Université de Montréal We present a numerical study of the nucleation process leading to the crystallization of a 10648-atoms system. With elementary building blocks of diamond and wurtzite structure as a criterion for the recognition of the crystalline nuclei in the supercooled liquid, we can directly follow the phase transition. Out of the nine NVT trajectories we generate, six crystallizes in less than 10 ns. By following the trajectory of the stable cluster which will eventually nucleate, we can identify the different regimes of the nucleation process. The path to crystallization can also be analysed in terms of the classical nucleation theory (CNT). For example, the lifetime distribution of clusters as a function of their size is well represented by an inversed Gaussian, as can be derived from CNT. However, there are some strong discrepancies with the CNT predictions of the free energy curve. A number of hypotheses are studied to identify the source of this discrepancy. This work is supported in part by NSERC and FQRNT. NM is a Cottrell Scholar of the Research Corporation.

  8. The Effect of Solution Parameters on Lysozyme Nucleation Rates and Crystal Quality

    Science.gov (United States)

    Judge, R. A.; Snell, E. H.

    1998-01-01

    In the pursuit of strongly diffracting high quality macromolecule crystals of suitable volume, this study investigates how the formation of macromolecules in solution and their growth characteristics effect crystal volume and diffracting quality. We systematically investigated the effect of solution conditions on lysozyme nucleation rates and the volume of crystals produced. Batch crystallization plates were used in combination with a video microscope system to measure nucleation rates and crystal volume. As expected from classical nucleation theory, crystal numbers were found to increase with increases in temperature and supersaturation. Small changes in solution pH, at constant supersaturation values were found, however, to dramatically effect the number of crystals nucleated in the wells varying from 1000s to 10s in the pH range 4.0 to 5.2. Having optimized the conditions required to produce an appropriate number of crystals of a suitable volume for X-ray analysis, a large number of uniform crystals were produced under exactly the same conditions. In the X-ray analysis of more than 50 such crystals there was found a wide variation in crystal lattice parameters and data quality. The variation in X-ray quality crystal samples is thought to be related to the growth rate variation caused by growth rate dispersion seen in lysozyme crystal growth experiments.

  9. Nucleation kinetics of the formation of low dimensional calcium sulfate dihydrate crystals in isopropyl alcohol medium

    Energy Technology Data Exchange (ETDEWEB)

    Sandhya, S.; Sureshbabu, S.; Varma, H.K.; Komath, Manoj [Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Trivandrum 695 012 (India)

    2012-07-15

    Calcium sulfate dihydrate, constituted as uniform crystals of low dimensions, is a potential biomaterial for clinical applications like bone graft substitution and drug delivery. In this work, isopropyl alcohol has been used as a solvent to obtain low dimensional calcium sulfate dihydrate crystals from calcium nitrate - sulfuric acid system. Reactants in 0.5 molar concentration at ambient conditions generated uniform rod-shaped crystals of length 3-5 {mu}m. Analysis using X-ray Diffractometry and Fourier Transform Infrared Spectrometry showed the material to be well crystallized, phase-pure calcium sulfate dihydrate. The nucleation kinetics has been studied by observing the induction time of phase formation in solutions of millimolar concentrations through turbidimetry at 300 K. The data have been analysed using classical nucleation theory to deduce parameters like interfacial tension (or surface free energy), nucleation rate and critical radius. The surface free energy obtained (5.6 mJ/m{sup 2}) is comparatively lower than that reported for aqueous precipitation, which could be attributed to the presence of isopropyl alcohol. On escalating the supersaturation ratio, the nucleation rate drastically increased and the critical radius decreased exponentially. Particles formed at supersaturation 1.39 showed a monomodal distribution centered at 8.2 nm in Dynamic Light Scattering analysis. Comparable particle sizes were obtained in Transmission Electron Microscopy. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Evolution operator equation: Integration with algebraic and finite difference methods. Applications to physical problems in classical and quantum mechanics and quantum field theory

    Energy Technology Data Exchange (ETDEWEB)

    Dattoli, Giuseppe; Torre, Amalia [ENEA, Centro Ricerche Frascati, Rome (Italy). Dipt. Innovazione; Ottaviani, Pier Luigi [ENEA, Centro Ricerche Bologna (Italy); Vasquez, Luis [Madris, Univ. Complutense (Spain). Dept. de Matemateca Aplicado

    1997-10-01

    The finite-difference based integration method for evolution-line equations is discussed in detail and framed within the general context of the evolution operator picture. Exact analytical methods are described to solve evolution-like equations in a quite general physical context. The numerical technique based on the factorization formulae of exponential operator is then illustrated and applied to the evolution-operator in both classical and quantum framework. Finally, the general view to the finite differencing schemes is provided, displaying the wide range of applications from the classical Newton equation of motion to the quantum field theory.

  11. NUCLEATION STUDIES OF GOLD ON CARBON ELECTRODES

    Directory of Open Access Journals (Sweden)

    S. SOBRI

    2008-04-01

    Full Text Available Interest has grown in developing non-toxic electrolytes for gold electrodeposition to replace the conventional cyanide-based bath for long term sustainability of gold electroplating. A solution containing thiosulphate and sulphite has been developed specially for microelectronics applications. However, at the end of the electrodeposition process, the spent electrolyte can contain a significant amount of gold in solution. This study has been initiated to investigate the feasibility of gold recovery from a spent thiosulphate-sulphite electrolyte. We have used flat-plate glassy carbon and graphite electrodes to study the mechanism of nucleation and crystal growth of gold deposition from the spent electrolyte. It was found that at the early stages of reduction process, the deposition of gold on glassy carbon exhibits an instantaneous nucleation of non-overlapping particles. At longer times, the particles begin to overlap and the deposition follows a classic progressive nucleation phenomenon. On the other hand, deposition of gold on graphite does not follow the classical nucleation phenomena.

  12. 不是名著的名著--作家决定论下的《恋恋笔记本》赏析%A Non-Classic Classic--The Appreciation of The Notebook under Writer Determinism Theory

    Institute of Scientific and Technical Information of China (English)

    欧阳乐

    2013-01-01

    There are many ways of interpreting a literary work, and in the context of the merging of different disciplines nowa⁃days, it is undoubtedly feasible to do it within a stylistic perspective. Can The Notebook, representative of American bestselling writer Nicholas Sparks, which has been adapted to a movie, and also a bestseller on the ranking list of New York Times, be called world classic? The main reflection of the Romantic Movement which sprang up in the 18th century on the stylistic theories is writer determinism theory. The popularness as well as some shortcomings of The Notebook can be revealed after careful analysis of it under the frame work of writer determinism theory. It can be concluded that it is indeed a non-classic classic.%  评价一部文学作品有很多种方法,在当今各学科相互融合的背景下,从文体学的角度来阐释无疑是可行的。《恋恋笔记本》,这部被改编成电影、《纽约时报》排行榜上的畅销书,美国畅销小说作家尼古拉斯·斯帕克思的代表作,是否能被称为世界文学名著呢?18世纪兴起的浪漫主义运动在文体学理论上主要反映为作家决定论。通过在作家决定论的理论框架下对其进行分析,可以得出其令人称道之处,同时指出其不足。它的确是一部不是名著的名著。

  13. 传统《诗经》学的重大历史转折 ——朱熹“以《诗》言《诗》”说申论%The historic turning point of traditional studies on classic poetry ——ZHU Xi 's theory of commenting on classic poetry through classic poetry

    Institute of Scientific and Technical Information of China (English)

    汪大白

    2001-01-01

    ZHU Xi's theory of and his deeds in commenting on Classic Poetry through Classic Poetry is a negation and criticism on the idea of illustrating Classic Poetry with history expressed in “the Preface to Classic Poetry" and the Confucianists' concept of illustrating Classic Poetry with “the Preface to Classic Poetry". It also shows a deep understanding on the literature nature of Classic Poetry and the rules in composing poems. To carry out the principle of commenting on classic Poetry through Classic Poetry and to implement a great reform on traditional studies on classic Poetry is a great mission for scholars in Song Dynasty from the need of historical development and the time. Being a famous literaturist as well as a master in the studies on Classic Poetry and integrating literature of past dynasties with the studies on “Classic Poetry" of past dynasties are the main condition and the objective foundation for ZHU Xi to implement his reform on the studies on classic Poetry.%朱熹首倡并躬行的“以《诗》言《诗》”说是对《诗序》“以史证《诗》”以及后儒“以《序》解《诗》”的否定与批判,同时又体现了对《诗经》文学本质与诗歌创作规律的深刻认识。贯彻“以《诗》言《诗》”的原则,实现传统《诗经》学的重大变革,是历史的发展与时代的需求赋予宋代学者的重大使命;而文学名家与经学大师的一身兼任,历代文学与历代经学的双轨集成,是朱熹实现《诗经》学变革的主体条件与客观基础。

  14. Nucleation of protein crystals in a wide continuous supersaturation gradient.

    Science.gov (United States)

    Penkova, A; Chayen, N; Saridakis, E; Nanev, Chr N

    2002-10-01

    By using a supersaturation gradient along a protein solution contained in a glass capillary tube, we modified the classical double pulse technique, thus substantially accelerating the procedure of measurement of nucleation parameters. Data for the number of crystal nuclei, n vs nucleation time, t, were obtained for hen-egg-white lysozyme, chosen as a model because of the availability of reliable solubility data in the literature. The stationary nucleation rate and the nucleation time lag have been measured. Quantitative data for the work required for nucleus formation (A(k) = 4.3 x 10 (-1)3 erg) and the size of the critical cluster (three molecules) were also obtained. Besides, it was observed that Ostwald ripening seems to play an important role for nucleation times longer than 150 min. Using the same technique, semi-quantitative investigations were performed with porcine pancreatic trypsin.

  15. Development and validation of the Brazilian version of the Attitudes to Aging Questionnaire (AAQ: An example of merging classical psychometric theory and the Rasch measurement model

    Directory of Open Access Journals (Sweden)

    Trentini Clarissa M

    2008-01-01

    Full Text Available Abstract Background Aging has determined a demographic shift in the world, which is considered a major societal achievement, and a challenge. Aging is primarily a subjective experience, shaped by factors such as gender and culture. There is a lack of instruments to assess attitudes to aging adequately. In addition, there is no instrument developed or validated in developing region contexts, so that the particularities of ageing in these areas are not included in the measures available. This paper aims to develop and validate a reliable attitude to aging instrument by combining classical psychometric approach and Rasch analysis. Methods Pilot study and field trial are described in details. Statistical analysis included classic psychometric theory (EFA and CFA and Rasch measurement model. The latter was applied to examine unidimensionality, response scale and item fit. Results Sample was composed of 424 Brazilian old adults, which was compared to an international sample (n = 5238. The final instrument shows excellent psychometric performance (discriminant validity, confirmatory factor analysis and Rasch fit statistics. Rasch analysis indicated that modifications in the response scale and item deletions improved the initial solution derived from the classic approach. Conclusion The combination of classic and modern psychometric theories in a complementary way is fruitful for development and validation of instruments. The construction of a reliable Brazilian Attitudes to Aging Questionnaire is important for assessing cultural specificities of aging in a transcultural perspective and can be applied in international cross-cultural investigations running less risk of cultural bias.

  16. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

    atmospheric conditions using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear and significant contribution from ion induced nucleation and consider this to be an unambiguous observation of the ion-effect on aerosol nucleation using a particle beam under conditions not far......The effect of ions in aerosol nucleation is a subject where much remains to be discovered. That ions can enhance nucleation has been shown by theory, observations, and experiments. However, the exact mechanism still remains to be determined. One question is if the nature of the ionization affects...... the nucleation. This is an essential question since many experiments have been performed using radioactive sources that ionize differently than the cosmic rays which are responsible for the majority of atmospheric ionization. Here we report on an experimental study of sulphuric acid aerosol nucleation under near...

  17. 异化劳动理论与古典经济学关系辨析%On Relationship between Theory of Alienated Labor and Classical Economics

    Institute of Scientific and Technical Information of China (English)

    张金鹏

    2012-01-01

    马克思在《1844年经济学哲学手稿》中提出的异化劳动理论是以他对劳动价值论的理解为基础的,异化劳动理论的整个运演过程也是直接从劳动价值论的基本内容出发的。正是劳动价值论,使马克思在人本主义的基础上、从主体出发、运用异化史观展开对资本主义批判的。因此,青年马克思虽然对古典经济学总体上持否定态度,但他和古典经济学一样,都是以劳动价值论为理论出发点的。只不过马克思批判的是古典经济学“见物不见人”的反人本主义观点。%The theory of alienated labor in Marx's Economic and Philosophical Manuscripts of 1844 is based on his comprehension of the labor theory of value. In Manuscripts, Marx's theory of alienated labor directly starts from the basic contents of the labor theory of value, and it is just the labor theory of value that makes Marx criticize capitalism with the alienated conception of history from the subjective perspective on the basis of the Humanism. So,although young Marx takes a negative attitude to classical economics as a whole,he takes the labor theory of value as the starting point as classical economics does, he only criticizes the anti-humanist view of classical economics "Seeing things but not people".

  18. Mixed Quantum/Classical Theory for Molecule-Molecule Inelastic Scattering: Derivations of Equations and Application to N2 + H2 System.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2015-12-17

    The mixed quantum classical theory, MQCT, for inelastic scattering of two molecules is developed, in which the internal (rotational, vibrational) motion of both collision partners is treated with quantum mechanics, and the molecule-molecule scattering (translational motion) is described by classical trajectories. The resultant MQCT formalism includes a system of coupled differential equations for quantum probability amplitudes, and the classical equations of motion in the mean-field potential. Numerical tests of this theory are carried out for several most important rotational state-to-state transitions in the N2 + H2 system, in a broad range of collision energies. Besides scattering resonances (at low collision energies) excellent agreement with full-quantum results is obtained, including the excitation thresholds, the maxima of cross sections, and even some smaller features, such as slight oscillations of energy dependencies. Most importantly, at higher energies the results of MQCT are nearly identical to the full quantum results, which makes this approach a good alternative to the full-quantum calculations that become computationally expensive at higher collision energies and for heavier collision partners. Extensions of this theory to include vibrational transitions or general asymmetric-top rotor (polyatomic) molecules are relatively straightforward.

  19. Ginzburg-Landau theory for the solid-liquid interface of bcc elements. II - Application to the classical one-component plasma, the Wigner crystal, and He-4

    Science.gov (United States)

    Zeng, X. C.; Stroud, D.

    1989-01-01

    The previously developed Ginzburg-Landau theory for calculating the crystal-melt interfacial tension of bcc elements to treat the classical one-component plasma (OCP), the charged fermion system, and the Bose crystal. For the OCP, a direct application of the theory of Shih et al. (1987) yields for the surface tension 0.0012(Z-squared e-squared/a-cubed), where Ze is the ionic charge and a is the radius of the ionic sphere. Bose crystal-melt interface is treated by a quantum extension of the classical density-functional theory, using the Feynman formalism to estimate the relevant correlation functions. The theory is applied to the metastable He-4 solid-superfluid interface at T = 0, with a resulting surface tension of 0.085 erg/sq cm, in reasonable agreement with the value extrapolated from the measured surface tension of the bcc solid in the range 1.46-1.76 K. These results suggest that the density-functional approach is a satisfactory mean-field theory for estimating the equilibrium properties of liquid-solid interfaces, given knowledge of the uniform phases.

  20. Nucleation of insulin crystals in a wide continuous supersaturation gradient.

    Science.gov (United States)

    Penkova, Anita; Dimitrov, Ivaylo; Nanev, Christo

    2004-11-01

    Modifying the classical double pulse technique, by using a supersaturation gradient along an insulin solution contained in a glass capillary tube, we found conditions appropriate for the direct measurement of nucleation parameters. The nucleation time lag has been measured. Data for the number of crystal nuclei versus the nucleation time were obtained for this hormone. Insulin was chosen as a model protein because of the availability of solubility data in the literature. A comparison with the results for hen-egg-white lysozyme, HEWL was performed.

  1. Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface

    Science.gov (United States)

    He, Xiaoxia; Shen, Yan; Hung, Francisco R.; Santiso, Erik E.

    2016-12-01

    Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim+][Cl-] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ˜85 kcal/mol to form a critical nucleus of size ˜3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (˜49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (˜3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (˜4.8 × 1011 cm-3 s-1) is about one order of magnitude faster than the homogeneous rate (˜6.6 × 1010 cm-3 s-1). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

  2. From Classical System in the Case of Modern System Theory%从经典系统论到现代系统论

    Institute of Scientific and Technical Information of China (English)

    常绍舜

    2011-01-01

    The classical system theory and the modern system theory are two stages of general systems theory development.The main object of the classical system theory research's is the integrity question which mathematical instrument is mainly calculus,and also mostly occupies the classical stage with its related discipline,its serviceability also has certain limitation.But the modern system theory from the whole and the part shows-system,which mathematical instrument is the modern mathematics,and has absorbed positive achievements which returns to original state,and also mostly developed the modern stage with its related discipline.Qian Xuesen has made the remarkable contributions for the modern system theory's construction.%经典系统论和现代系统论是一般系统论发展的两个阶段,经典系统论研究的主要对象是系统的整体性问题,其数学工具主要是微积分,与其相关的学科也大都处在经典阶段,其适用性也有一定限制。而现代系统论则从整体与部分的关系上来说明系统,其数学工具是现代数学,并吸收了还原论的积极成果,与其相关的学科也大都发展到了现代阶段。钱学森为现代系统论的建设做出了显著贡献。

  3. Quantum versus classical annealing: insights from scaling theory and results for spin glasses on 3-regular graphs.

    Science.gov (United States)

    Liu, Cheng-Wei; Polkovnikov, Anatoli; Sandvik, Anders W

    2015-04-10

    We discuss an Ising spin glass where each S=1/2 spin is coupled antiferromagnetically to three other spins (3-regular graphs). Inducing quantum fluctuations by a time-dependent transverse field, we use out-of-equilibrium quantum Monte Carlo simulations to study dynamic scaling at the quantum glass transition. Comparing the dynamic exponent and other critical exponents with those of the classical (temperature-driven) transition, we conclude that quantum annealing is less efficient than classical simulated annealing in bringing the system into the glass phase. Quantum computing based on the quantum annealing paradigm is therefore inferior to classical simulated annealing for this class of problems. We also comment on previous simulations where a parameter is changed with the simulation time, which is very different from the true Hamiltonian dynamics simulated here.

  4. Generation of non-classical correlated photon pairs via a ladder-type atomic configuration: theory and experiment.

    Science.gov (United States)

    Ding, Dong-Sheng; Zhou, Zhi-Yuan; Shi, Bao-Sen; Zou, Xu-Bo; Guo, Guang-Can

    2012-05-07

    We experimentally generate a non-classical correlated two-color photon pair at 780 and 1529.4 nm in a ladder-type configuration using a hot 85Rb atomic vapor with the production rate of ~10(7)/s. The non-classical correlation between these two photons is demonstrated by strong violation of Cauchy-Schwarz inequality by the factor R = 48 ± 12. Besides, we experimentally investigate the relations between the correlation and some important experimental parameters such as the single-photon detuning, the powers of pumps. We also make a theoretical analysis in detail and the theoretical predictions are in reasonable agreement with our experimental results.

  5. The Contemporary Implication and Social Justice Theory of Classical Writers%经典作家社会公平理论及其当代启示

    Institute of Scientific and Technical Information of China (English)

    胡芳

    2011-01-01

    马克思恩格斯科学的社会公平理论为社会发展提供了愿景,经典作家的社会实践和社会公平理论丰富并发展了这一理论。针对我国社会不公平现象突显,其危机令人堪忧问题,根据马克思主义经典作家的社会公平理论提出“转变经济发展方式是解决社会公平的基本前提、还富于民是解决社会公平问题的根本”的思路。%Marx and Engels put forward the scientific theory on social justice, which provides a vision for social development. The social practice and the theory on social justice by classical writers have greatly enriched and developed the theory. Based on the worrying problem embodied in social inequities in China, and on the theories on social justice by the classical writers specialized in Marxism, the present paper puts forward the view that " the transformation of economic development pattern is the basic premise to achieve social equity ; while dividend to the community is the fundamental issue to achieve this goal. "

  6. Cavitation Bubble Nucleation by Energetic Particles

    Energy Technology Data Exchange (ETDEWEB)

    West, C.D.

    1998-12-01

    In the early sixties, experimental measurements using a bubble chamber confirmed quantitatively the thermal spike theory of bubble nucleation by energetic particles: the energy of the slow, heavy alpha decay recoils used in those experiments matched the calculated bubble nucleation energy to within a few percent. It was a triumph, but was soon to be followed by a puzzle. Within a couple of years, experiments on similar liquids, but well below their normal boiling points, placed under tensile stress showed that the calculated bubble nucleation energy was an order of magnitude less than the recoil energy. Why should the theory work so well in the one case and so badly in the other? How did the liquid, or the recoil particle, "know" the difference between the two experiments? Another mathematical model of the same physical process, introduced in 1967, showed qualitatively why different analyses would be needed for liquids with high and low vapor pressures under positive or negative pressures. But, the quantitative agreement between the calculated nucleation energy and the recoil energy was still poor--the former being smaller by a factor of two to three. In this report, the 1967 analysis is extended and refined: the qualitative understanding of the difference between positive and negative pressure nucleation, "boiling" and "cavitation" respectively, is retained, and agreement between the negative pressure calculated to be needed for nucleation and the energy calculated to be available is much improved. A plot of the calculated negative pressure needed to induce bubble formation against the measured value now has a slope of 1.0, although there is still considerable scatter in the individual points.

  7. Role of Nucleation and Growth in Two-Phase Microstructure Formation

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Jong Ho [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    During the directional solidification of peritectic alloys, a rich variety of two-phase microstructures develop, and the selection process of a specific microstructure is complicated due to the following two considerations. (1) In contrast to many single phase and eutectic microstructures that grow under steady state conditions, two-phase microstructures in a peritectic system often evolve under non-steady-state conditions that can lead to oscillatory microstructures, and (2) the microstructure is often governed by both the nucleation and the competitive growth of the two phases in which repeated nucleation can occur due to the change in the local conditions during growth. In this research, experimental studies in the Sn-Cd system were designed to isolate the effects of nucleation and competitive growth on the dynamics of complex microstructure formation. Experiments were carried out in capillary samples to obtain diffusive growth conditions so that the results can be analyzed quantitatively. At high thermal gradient and low velocity, oscillatory microstructures were observed in which repeated nucleation of the two phases was observed at the wall-solid-liquid junction. Quantitative measurements of nucleation undercooling were obtained for both the primary and the peritectic phase nucleation, and three different ampoule materials were used to examine the effect of different contact angles at the wall on nucleation undercooling. Nucleation undercooling for each phase was found to be very small, and the experimental undercooling values were orders of magnitude smaller than that predicted by the classical theory of nucleation. A new nucleation mechanism is proposed in which the clusters of atoms at the wall ahead of the interface can become a critical nucleus when the cluster encounters the triple junction. Once the nucleation of a new phase occurs, the microstructure is found to be controlled by the relative growth of the two phases that give rise to different

  8. Beyond HTL: The Classical Kinetic Theory of Landau Damping for Selfinteracting Scalar Fields in the Broken Phase

    OpenAIRE

    1999-01-01

    The effective theory of low frequency fluctuations of selfinteracting scalar fields is constructed in the broken symmetry phase. The theory resulting from integrating fluctuations with frequencies much above the spontanously generated mass scale $(p_0>>M)$ is found to be local. Non-local dynamics, especially Landau damping emerges under the effect of fluctuations in the $p_0 \\sim M$ region. A kinetic theory of relativistic scalar gas particles interacting via their locally variable mass with ...

  9. COMPETITION: CLASSICAL VERSUS NEOCLASSICAL VIEW

    OpenAIRE

    Mihaela Cornelia Sandu

    2013-01-01

    Competition is an important element from economical theory. Over time it has experienced several definitions and classifications much of them being contradictory. In this paper I will make a parallel between classical and neoclassical point of view according to competition. Keywords. Competition; neoclassical theory; classical theory; monopolistic; perfect competition.

  10. When Index Term Probability Violates the Classical Probability Axioms Quantum Probability can be a Necessary Theory for Information Retrieval

    CERN Document Server

    Melucci, Massimo

    2012-01-01

    Probabilistic models require the notion of event space for defining a probability measure. An event space has a probability measure which ensues the Kolmogorov axioms. However, the probabilities observed from distinct sources, such as that of relevance of documents, may not admit a single event space thus causing some issues. In this article, some results are introduced for ensuring whether the observed prob- abilities of relevance of documents admit a single event space. More- over, an alternative framework of probability is introduced, thus chal- lenging the use of classical probability for ranking documents. Some reflections on the convenience of extending the classical probabilis- tic retrieval toward a more general framework which encompasses the issues are made.

  11. Martensitic nucleation mechanism

    Institute of Scientific and Technical Information of China (English)

    陈奇志; 桑灿; 吴杏芳; 柯俊

    1997-01-01

    A sort of special dislocation configuration was deformation-induced in an Fe-Ni-V-C alloy by in-situ elongation tests of TEM. The cooling in-situ observations, as well as the SADPs from the region of the special dislocation configurations, proved that they are martensitic nuclei. In martensitic transformation, a nucleus changed into a small martensitic sub-plate, and a group of parallel sub-plates that formed from a group of parallel nuclei made up a big martensitic plate Martensitic transformation involved opposite shear between adjacent martensitic nuclei. By using the reduced-cell method, the crystallographic structure of observed martensitic nuclei was indexed as a face-centered orthogonal (FCO) lattice, which was explained by the nucleation mechanism proposed by the present authors. The crystallographic analysis confirmed that the defect faulting involved in martensitic nucleation took place among three close pakked planes, instead of between two adjacent planes as an ordinary stacking fault.

  12. Classical antiparticles

    Energy Technology Data Exchange (ETDEWEB)

    Costella, J.P.; McKellar, B.H.J.; Rawlinson, A.A.

    1997-03-01

    We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain. (authors). 13 refs., 1 tab.

  13. Classical antiparticles

    CERN Document Server

    Costella, J P; Rawlinson, A A; Costella, John P.; Kellar, Bruce H. J. Mc; Rawlinson, Andrew A.

    1997-01-01

    We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain.

  14. Numerical determination of the interfacial energy and nucleation barrier of curved solid-liquid interfaces in binary systems.

    Science.gov (United States)

    Kundin, Julia; Choudhary, Muhammad Ajmal

    2016-07-01

    The phase-field crystal (PFC) technique is a widely used approach for modeling crystal growth phenomena with atomistic resolution on mesoscopic time scales. We use a two-dimensional PFC model for a binary system based on the work of Elder et al. [Phys. Rev. B 75, 064107 (2007)PRBMDO1098-012110.1103/PhysRevB.75.064107] to study the effect of the curved, diffuse solid-liquid interface on the interfacial energy as well as the nucleation barrier. The calculation of the interfacial energy and the nucleation barrier certainly depends on the proper definition of the solid-liquid dividing surface and the corresponding nucleus size. We define the position of the sharp interface at which the interfacial energy is to be evaluated by using the concept of equimolar dividing surface (r^{e}) and the minimization of the interfacial energy (r^{s}). The comparison of the results based on both radii shows that the difference r^{e}-r^{s} is always positive and has a limit for large cluster sizes which is comparable to the Tolman length. Furthermore, we found the real nucleation barrier for small cluster sizes, which is defined as a function of the radius r^{s}, and compared it with the classical nucleation theory. The simulation results also show that the extracted interfacial energy as function of both radii is independent of system size, and this dependence can be reasonably described by the nonclassical Tolman formula with a positive Tolman length.

  15. Classical -Algebras and Generalized Drinfeld-Sokolov Bi-Hamiltonian Systems Within the Theory of Poisson Vertex Algebras

    Science.gov (United States)

    De Sole, Alberto; Kac, Victor G.; Valeri, Daniele

    2013-10-01

    We describe of the generalized Drinfeld-Sokolov Hamiltonian reduction for the construction of classical -algebras within the framework of Poisson vertex algebras. In this context, the gauge group action on the phase space is translated in terms of (the exponential of) a Lie conformal algebra action on the space of functions. Following the ideas of Drinfeld and Sokolov, we then establish under certain sufficient conditions the applicability of the Lenard-Magri scheme of integrability and the existence of the corresponding integrable hierarchy of bi-Hamiltonian equations.

  16. A plug flow model for chemical reactions and aerosol nucleation and growth in an alkali-containing flue gas

    DEFF Research Database (Denmark)

    Christensen, K. A.; Livbjerg, Hans

    2000-01-01

    multicomponent growth models are treated. The local gas phase composition is determined from a gas phase chemical equilibrium calculation combined with finite reaction rate kinetics for slower reactions. The model is useful in the analysis of boiler operation with respect to the formation of particles, HCl, SO2......The paper presents a numerical model for the simulation of gas to particle conversion and the chemical changes during cooling of a flue gas from the combustion of fuels rich in volatile alkali species. For the homogeneous nucleation of alkali species the model uses the classical theory modified...

  17. Fabrication of Two-Dimensional Arrays of Micron-Sized Gold Rings Based on Preferential Nucleation at Reentrant Sites

    Institute of Scientific and Technical Information of China (English)

    DONG Wen; GUO Xiang; WANG Si-Zhen; WANG Zhen-Lin; MING Nai-Ben

    2008-01-01

    @@ A templating method for fabricating two-dimensional (2D) arrays of micron-sized gold rings is reported. The microstructures are formed by electroless plating in a through-porous polymer membrane on a silicon substrate obtained from a closed-packed silica colloidal crystal. Our results show that the sizes of gold rings can be altered by varying electroless plating conditions for the porous polystyrene membranes. Moreover, we explain the growth mechanism of gold rings using the classical crystal growth theory that is preferential nucleation at reentrant sites.

  18. Report on the Implementation of Homogeneous Nucleation Scheme in MARMOT-based Phase Field Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yulan; Hu, Shenyang Y.; Sun, Xin

    2013-09-30

    In this report, we summarized our effort in developing mesoscale phase field models for predicting precipitation kinetics in alloys during thermal aging and/or under irradiation in nuclear reactors. The first part focused on developing a method to predict the thermodynamic properties of critical nuclei such as the sizes and concentration profiles of critical nuclei, and nucleation barrier. These properties are crucial for quantitative simulations of precipitate evolution kinetics with phase field models. Fe-Cr alloy was chosen as a model alloy because it has valid thermodynamic and kinetic data as well as it is an important structural material in nuclear reactors. A constrained shrinking dimer dynamics (CSDD) method was developed to search for the energy minimum path during nucleation. With the method we are able to predict the concentration profiles of the critical nuclei of Cr-rich precipitates and nucleation energy barriers. Simulations showed that Cr concentration distribution in the critical nucleus strongly depends on the overall Cr concentration as well as temperature. The Cr concentration inside the critical nucleus is much smaller than the equilibrium concentration calculated by the equilibrium phase diagram. This implies that a non-classical nucleation theory should be used to deal with the nucleation of Cr precipitates in Fe-Cr alloys. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. A number of interesting phenomena were observed from the simulations: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrated that it is critical to introduce the correct critical nuclei into phase

  19. Non-equilibrium statistical field theory for classical particles: Linear and mildly non-linear evolution of cosmological density power spectra

    CERN Document Server

    Bartelmann, Matthias; Berg, Daniel; Kozlikin, Elena; Lilow, Robert; Viermann, Celia

    2014-01-01

    We use the non-equlibrium statistical field theory for classical particles, recently developed by Mazenko and Das and Mazenko, together with the free generating functional we have previously derived for point sets initially correlated in phase space, to calculate the time evolution of power spectra in the free theory, i.e. neglecting particle interactions. We provide expressions taking linear and quadratic momentum correlations into account. Up to this point, the expressions are general with respect to the free propagator of the microscopic degrees of freedom. We then specialise the propagator to that expected for particles in cosmology treated within the Zel'dovich approximation and show that, to linear order in the momentum correlations, the linear growth of the cosmological power spectrum is reproduced. Quadratic momentum correlations return a first contribution to the non-linear evolution of the power spectrum, for which we derive a simple closed expression valid for arbitrary wave numbers. This expressio...

  20. An improved association-mining research for exploring Chinese herbal property theory: based on data of the Shennong's Classic of Materia Medica.

    Science.gov (United States)

    Jin, Rui; Lin, Zhi-jian; Xue, Chun-miao; Zhang, Bing

    2013-09-01

    Knowledge Discovery in Databases is gaining attention and raising new hopes for traditional Chinese medicine (TCM) researchers. It is a useful tool in understanding and deciphering TCM theories. Aiming for a better understanding of Chinese herbal property theory (CHPT), this paper performed an improved association rule learning to analyze semistructured text in the book entitled Shennong's Classic of Materia Medica. The text was firstly annotated and transformed to well-structured multidimensional data. Subsequently, an Apriori algorithm was employed for producing association rules after the sensitivity analysis of parameters. From the confirmed 120 resulting rules that described the intrinsic relationships between herbal property (qi, flavor and their combinations) and herbal efficacy, two novel fundamental principles underlying CHPT were acquired and further elucidated: (1) the many-to-one mapping of herbal efficacy to herbal property; (2) the nonrandom overlap between the related efficacy of qi and flavor. This work provided an innovative knowledge about CHPT, which would be helpful for its modern research.

  1. Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)

    Energy Technology Data Exchange (ETDEWEB)

    Landry, Brian R., E-mail: landrybr@gmail.com; Subotnik, Joseph E. [Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2015-03-14

    We evaluate the accuracy of Tully’s surface hopping algorithm for the spin-boson model in the limit of small to moderate reorganization energy. We calculate transition rates between diabatic surfaces in the exciton basis and compare against exact results from the hierarchical equations of motion; we also compare against approximate rates from the secular Redfield equation and Ehrenfest dynamics. We show that decoherence-corrected surface hopping performs very well in this regime, agreeing with secular Redfield theory for very weak system-bath coupling and outperforming secular Redfield theory for moderate system-bath coupling. Surface hopping can also be extended beyond the Markovian limits of standard Redfield theory. Given previous work [B. R. Landry and J. E. Subotnik, J. Chem. Phys. 137, 22A513 (2012)] that establishes the accuracy of decoherence-corrected surface-hopping in the Marcus regime, this work suggests that surface hopping may well have a very wide range of applicability.

  2. On ZHU Zi-qing's Appreciation Theories of Chinese Classic Literature%朱自清古典文学欣赏理论初探

    Institute of Scientific and Technical Information of China (English)

    方大卫

    2009-01-01

    欣赏中国古典文学作品离不开吟诵,要在吟诵的基础上了解,在培养欣赏力的同时培养判断力.欣赏也是想象、感受和理解的过程,更是一个再创造的过程.这是朱自清对古典文学欣赏理论的系统总结.这一欣赏理论,不仅内涵丰富,而且还有自己的特色.%The appreciation of Chinese classic literature works cannot be separated from the intonation of them. Comprehension is acquired on the basis of the intonation, and thus the appreciation as well as the judgment is cultivated. The appreciation is a course of imagination, perception and comprehension, and furthermore a course of recreation. This is a systematic conclusion of ZHU Zi-qing's theory of appreciation of Chinese classic literature works. The theory is rich in content with its own traits.

  3. The nucleation rate surfaces design over diagram of phase equilibria and their applications for computational chemistry

    Science.gov (United States)

    Anisimov, M. P.

    2016-12-01

    One can find in scientific literature a pretty fresh idea of the nucleation rate surfaces design over the diagrams of phase equilibria. That idea looks like profitable for the nucleation theory development and for various practical applications where predictions of theory have no high enough accuracy for today. The common thermodynamics has no real ability to predict parameters of the first order phase transition. Nucleation experiment can be provided in very local nucleation conditions even the nucleation takes place from the critical line (in two-component case) down to the absolute zero temperature limit and from zero nucleation rates at phase equilibria up to the spinodal conditions. Theory predictions have low reliability as a rule. The computational chemistry has chance to make solution of that problem easier when a set of the used axiomatic statements will adapt enough progressive assumptions [1]. Semiempirical design of the nucleation rate surfaces over diagrams of phase equilibria have a potential ability to provide a reasonable quality information on nucleation rate for each channel of nucleation. Consideration and using of the nucleation rate surface topologies to optimize synthesis of a given phase of the target material can be available when data base on nucleation rates over diagrams of phase equilibria will be created.

  4. Argyres-Douglas Loci, Singularity Structures and Wall-Crossings in Pure N=2 Gauge Theories with Classical Gauge Groups

    CERN Document Server

    Seo, Jihye

    2012-01-01

    N=2 Seiberg-Witten theories allow an interesting interplay between the Argyres-Douglas loci, singularity structures and wall-crossing formulae. In this paper we investigate this connection by first studying the singularity structures of hyper-elliptic Seiberg-Witten curves for pure N=2 gauge theories with SU(r+1) and Sp(2r) gauge groups, and propose new methods to locate the Argyres-Douglas loci in the moduli space, where multiple mutually non-local BPS states become massless. In a region of the moduli space, we compute dyon charges for all 2r+2 and 2r+1 massless dyons for SU(r+1) and Sp(2r) gauge groups respectively for rank r>1. From here we elucidate the connection to the wall-crossing phenomena for pure Sp(4) Seiberg-Witten theory near the Argyres-Douglas loci, despite our emphasis being only at the massless sector of the BPS spectra. We also present 2r-1 candidates for the maximal Argyres-Douglas points for pure SO(2r+1) Seiberg-Witten theory.

  5. Note: Determination of torsional spring constant of atomic force microscopy cantilevers: Combining normal spring constant and classical beam theory

    DEFF Research Database (Denmark)

    Álvarez-Asencio, R.; Thormann, Esben; Rutland, M.W.

    2013-01-01

    A technique has been developed for the calculation of torsional spring constants for AFM cantilevers based on the combination of the normal spring constant and plate/beam theory. It is easy to apply and allow the determination of torsional constants for stiff cantilevers where the thermal power...

  6. "Why Don't I Know about These Women?": The Integration of Early Women Sociologists in Classical Theory Courses

    Science.gov (United States)

    Thomas, Jan E.; Kukulan, Annis

    2004-01-01

    In recent years, early women sociologists such as Harriet Martineau, Ida B. Wells, and Jane Addams have begun to appear in some introductory textbooks and theory books. Usually, they appear in a box, as a sidebar, or as selected "others." So why do we not know more about these women? Our research seeks to answer this question. Given the…

  7. Between classical and quantum

    OpenAIRE

    2007-01-01

    The relationship between classical and quantum theory is of central importance to the philosophy of physics, and any interpretation of quantum mechanics has to clarify it. Our discussion of this relationship is partly historical and conceptual, but mostly technical and mathematically rigorous, including over 500 references. On the assumption that quantum mechanics is universal and complete, we discuss three ways in which classical physics has so far been believed to emerge from quantum physic...

  8. Nucleate boiling heat transfer

    Energy Technology Data Exchange (ETDEWEB)

    Saiz Jabardo, J.M. [Universidade da Coruna (Spain). Escola Politecnica Superior], e-mail: mjabardo@cdf.udc.es

    2009-07-01

    Nucleate boiling heat transfer has been intensely studied during the last 70 years. However boiling remains a science to be understood and equated. In other words, using the definition given by Boulding, it is an 'insecure science'. It would be pretentious of the part of the author to explore all the nuances that the title of the paper suggests in a single conference paper. Instead the paper will focus on one interesting aspect such as the effect of the surface microstructure on nucleate boiling heat transfer. A summary of a chronological literature survey is done followed by an analysis of the results of an experimental investigation of boiling on tubes of different materials and surface roughness. The effect of the surface roughness is performed through data from the boiling of refrigerants R-134a and R-123, medium and low pressure refrigerants, respectively. In order to investigate the extent to which the surface roughness affects boiling heat transfer, very rough surfaces (4.6 {mu}m and 10.5 {mu}m ) have been tested. Though most of the data confirm previous literature trends, the very rough surfaces present a peculiar behaviour with respect to that of the smoother surfaces (Ra<3.0 {mu}m). (author)

  9. Nucleation Mechanism for Bainite

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Based on the experimental results that solute-depleted zone was observed in Cu-28Zn-4Al (mass fraction) at 523 K,△G is calculated as a positive according to the thermodynamic criteria for the spinodal decomposition of a ternarysystems. So, the solute-depleted zone cannot be formed by spinodal decomposition. Dislocation density requiredby the formation of solute-depleted zone is estimated greater than 7.89×109 cm-2 according to the segregationof solute atoms around dislocations, which is not consistent with the practical situation for the alloy at 523 K.Associated with the internal friction experimental fact that internal friction peaks appear within the incubation forbainitic transformation in Cu-Zn-Al alloy, the equilibrium temperature, T0, is evaluated as 433 K for solute-depletedCu-25Zn-3.4Al, which is lower than the experimental temperature 523 K. Thus, nucleation by shear mechanism isimpossible in this circumstance. Therefore, it is concluded that , like bainite in steels and Ag-Cd, bainite in Cu-Zn-Alalloys nucleates by diffusional mechanism, just implied by the experimental existence of solute-depleted zone.

  10. Theory of motion for monopole-dipole singularities of classical Yang-Mills-Higgs fields. I. Laws of motion

    Science.gov (United States)

    Drechsler, Wolfgang; Havas, Peter; Rosenblum, Arnold

    1984-02-01

    In two recent papers, the general form of the laws of motion for point particles which are multipole sources of the classical coupled Yang-Mills-Higgs fields was determined by Havas, and for the special case of monopole singularities of a Yang-Mills field an iteration procedure was developed by Drechsler and Rosenblum to obtain the equations of motion of mass points, i.e., the laws of motion including the explicit form of the fields of all interacting particles. In this paper we give a detailed derivation of the laws of motion of monopole-dipole singularities of the coupled Yang-Mills-Higgs fields for point particles with mass and spin, following a procedure first applied by Mathisson and developed by Havas. To obtain the equations of motion, a systematic approximation method is developed in the following paper for the solution of the nonlinear field equations and determination of the fields entering the laws of motion found here to any given order in the coupling constant g.

  11. 论卢曼法律悖论理论的隐秘源头%On the Classical Source of Luhmann’s Theory of Paradox

    Institute of Scientific and Technical Information of China (English)

    宾凯

    2014-01-01

    从康德到卢曼近两百年的德国思想史,贯穿了对于悖论问题的思考这一条红线。经过费希特对“自我与非我”的论述以及黑格尔对费希特思想的扬弃,德国古典哲学家们在悖论问题上呈现出了连贯的思考脉络。二十世纪后期,德国古典哲学中的“主体”虽然已经转换为卢曼社会理论中的“系统”,但是德国先贤们的智力资源却潜入到了卢曼的社会理论中,并成为其法律悖论思想的一个隐秘源头。文章通过在费希特、黑格尔关于悖论的思想与卢曼法律社会学中的悖论理论之间的对比研究,展示了卢曼在其法律悖论思想中对于德国古典哲学传统的反思性继承和创造性超越。%In the history of German philosophy from Kant to Luhmann,the thinking around the problem of paradox is definitely a strand going through almost two hundred years.Fichte’s discussion on “self and non-self”and Hegel’s relevant theory demonstrate that there was some consistent and successive research on the problem of paradox in German classical thought.In the latter half of the twentieth century,though the key word “subject”in German classical philosophy were replaced by“system”in Luhmann’s social theory,the resources provided by German antecessors became the necessary premise of the theory of legal paradox contributed by Luhmann,who inherited but at same time went beyond classical thoughts.

  12. Note: Determination of torsional spring constant of atomic force microscopy cantilevers: combining normal spring constant and classical beam theory.

    Science.gov (United States)

    Álvarez-Asencio, R; Thormann, E; Rutland, M W

    2013-09-01

    A technique has been developed for the calculation of torsional spring constants for AFM cantilevers based on the combination of the normal spring constant and plate/beam theory. It is easy to apply and allow the determination of torsional constants for stiff cantilevers where the thermal power spectrum is difficult to obtain due to the high resonance frequency and low signal/noise ratio. The applicability is shown to be general and this simple approach can thus be used to obtain torsional constants for any beam shaped cantilever.

  13. Mixed quantum/classical theory of rotationally and vibrationally inelastic scattering in space-fixed and body-fixed reference frames.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2013-11-07

    We formulated the mixed quantum/classical theory for rotationally and vibrationally inelastic scattering process in the diatomic molecule + atom system. Two versions of theory are presented, first in the space-fixed and second in the body-fixed reference frame. First version is easy to derive and the resultant equations of motion are transparent, but the state-to-state transition matrix is complex-valued and dense. Such calculations may be computationally demanding for heavier molecules and/or higher temperatures, when the number of accessible channels becomes large. In contrast, the second version of theory requires some tedious derivations and the final equations of motion are rather complicated (not particularly intuitive). However, the state-to-state transitions are driven by real-valued sparse matrixes of much smaller size. Thus, this formulation is the method of choice from the computational point of view, while the space-fixed formulation can serve as a test of the body-fixed equations of motion, and the code. Rigorous numerical tests were carried out for a model system to ensure that all equations, matrixes, and computer codes in both formulations are correct.

  14. Fourier space approach to the classical density functional theory for multi-Yukawa and square-well fluids.

    Science.gov (United States)

    Hlushak, Stepan P; McCabe, Clare; Cummings, Peter T

    2012-09-14

    We present a Fourier space density functional approach for hard particles with attractive interactions, which is based on a previously developed two-dimensional approach [S. Hlushak, W. Rżysko, and S. Sokołowski, J. Chem. Phys. 131, 094904 (2009)] for hard-sphere chains. The interactions are incorporated by means of a three-dimensional Fourier image of the direct correlation function that is obtained from the first-order mean-spherical approximation. In order to improve the computational efficiency, we make extensive use of fast Fourier transforms for calculating density convolution integrals. A two-dimensional implementation of the new density functional approach, based on the expansion of the functional around the bulk fluid density, is used to study structure and adsorption of two model fluids in narrow cylindrical pores. We also investigate two methods that improve the accuracy of the theory as compared to the conventional DFT approach, which expands the free energy functional around the bulk fluid density: One a variant of the reference fluid density functional theory used by Gillespie et al. [Phys. Rev. E 68, 031503 (2003)], and the second a weighted density approach with energy route thermodynamics. Results from these two methods are compared to the conventional approach and also to the results of Monte Carlo simulations. We find that the method of Gillespie et al. and the weighted density approach with energy route thermodynamics yield significant improvement over the conventional approach.

  15. Classics Online.

    Science.gov (United States)

    Clayman, Dee L.

    1995-01-01

    Appraises several databases devoted to classical literature. Thesaurus Linguae Graecae (TLG) contains the entire extant corpus of ancient Greek literature, including works on lexicography and historiography, extending into the 15th century. Other works awaiting completion are the Database of Classical Bibliography and a CD-ROM pictorial dictionary…

  16. Theoretical physics 3. Classical field theory. On electrodynamics, non-Abelian gauge theories, and gravitation. 3. ed.; Theoretische Physik 3. Klassische Feldtheorie. Von Elektrodynamik, nicht-Abelschen Eichtheorien und Gravitation

    Energy Technology Data Exchange (ETDEWEB)

    Scheck, Florian [Mainz Univ. (Germany). Fachbereich Physik

    2010-07-01

    Stringent presentation of field theory, mediates the connection from the classicalelectrodynamics up to modern gauge theories. The compact presentation is ideal for the bachelor study. New chapter on general relativity theory. Deepens the learned by numerous application from laser physic, metamaterials and different more. Theoretical physics 3. Classical field theory. On electrodynamics, non-Abelian, and gravitation is the third of five volumes on theoretical physics by professor Scheck. The cycle theoretical physics comprehends: Volume 1: Mechanics. From Newtons law to the deterministic chaos. Volume 2: Nonrelativistic quantum theory. From the hydrogen atom to the many-particle systems. Volume 3: Classical field theory. From the electrodynamics to the gauge theories. Volume 5: From the laws of thermodynamics to the quantum statistics. This textbook mediates modern theoretical physics in string presentation illustrated by many examples. It contains numerous problems with solution hints ore exemplary, complete solutions. The third edition was revised in many single topics, especially the chapter on general relativity theory was supplemented by an extensive analysis of the Schwarzschild solution. [German] Stringente Darstellung der Feldtheorie, vermittelt den Zusammenhang von der klassischen Elektrodynamik bis zu modernen Eichtheorien. Die kompakte Darstellung ist ideal fuer das Bachelor-Studium. Neues Kapitel zur Allgemeinen Relativitaetstheorie. Vertieft das Erlernte durch zahlreiche Anwendungsbeispiele aus Laserphysik, Metamaterialien uvm. Theoretische Physik 3. Klassische Feldtheorie. Von Elektrodynamik, nicht-Abelschen Eichtheorien und Gravitation ist der dritte von fuenf Baenden zur Theoretischen Physik von Professor Scheck. Der Zyklus Theoretische Physik umfasst: Band 1: Mechanik. Von den Newtonschen Gesetzen zum deterministischen Chaos. Band 2: Nichtrelativistische Quantentheorie. Vom Wasserstoffatom zu den Vielteilchensystemen. Band 3: Klassische Feldtheorie

  17. Classical integrability

    Science.gov (United States)

    Torrielli, Alessandro

    2016-08-01

    We review some essential aspects of classically integrable systems. The detailed outline of the sections consists of: 1. Introduction and motivation, with historical remarks; 2. Liouville theorem and action-angle variables, with examples (harmonic oscillator, Kepler problem); 3. Algebraic tools: Lax pairs, monodromy and transfer matrices, classical r-matrices and exchange relations, non-ultralocal Poisson brackets, with examples (non-linear Schrödinger model, principal chiral field); 4. Features of classical r-matrices: Belavin-Drinfeld theorems, analyticity properties, and lift of the classical structures to quantum groups; 5. Classical inverse scattering method to solve integrable differential equations: soliton solutions, spectral properties and the Gel’fand-Levitan-Marchenko equation, with examples (KdV equation, Sine-Gordon model). Prepared for the Durham Young Researchers Integrability School, organised by the GATIS network. This is part of a collection of lecture notes.

  18. The Relation between Classical and Quantum Electrodynamics

    Directory of Open Access Journals (Sweden)

    Mario Bacelar Valente

    2011-01-01

    Full Text Available Quantum electrodynamics presents intrinsic limitations in the description of physical processes that make it impossible to recover from it the type of description we have in classical electrodynamics. Hence one cannot consider classical electrodynamics as reducing to quantum electrodynamics and being recovered from it by some sort of limiting procedure. Quantum electrodynamics has to be seen not as an more fundamental theory, but as an upgrade of classical electrodynamics, which permits an extension of classical theory to the description of phenomena that, while being related to the conceptual framework of the classical theory, cannot be addressed from the classical theory.

  19. Nucleation of Crystals in Solution

    Science.gov (United States)

    Vekilov, Peter G.

    2010-07-01

    Solution crystallization is an essential part of processes in the chemical and pharmaceutical industries and a major step in physiological and pathological phenomena. Crystallization starts with nucleation and control of nucleation is crucial for the control of the number, size, perfection, polymorphism and other characteristics of the crystalline materials. Recently, there have been significant advances in the understanding of the mechanism of nucleation of crystals in solution. The most significant of these is the two-step mechanism of nucleation, according to which the crystalline nucleus appears inside pre-existing metastable clusters of size several hundred nanometers, which consist of dense liquid and are suspended in the solution. While initially proposed for protein crystals, the applicability of this mechanism has been demonstrated for small molecule organic materials, colloids, and biominerals. This mechanism helps to explain several long-standing puzzles of crystal nucleation in solution: nucleation rates which are many orders of magnitude lower than theoretical predictions, nucleation kinetic dependencies with steady or receding parts at increasing supersaturation, the role of heterogeneous substrates for polymorph selection, the significance of the dense protein liquid, and others. More importantly, this mechanism provides powerful tools for control of the nucleation process by varying the solution thermodynamic parameters so that the volume occupied by the dense liquid shrinks or expands.

  20. The nature of free electrons in superfluid helium - a test of quantum mechanics and a basis to review its foundations and make a comparison to classical theory

    Energy Technology Data Exchange (ETDEWEB)

    Mills, R.L. [BlackLight Power, Inc., Cranbury, NJ (United States)

    2001-10-01

    addressed. It is time for the physical rather than the mathematical nature of the wave function to be determined. A theory of classical quantum mechanics (CQM) was derived from first principles by Mills (The grand unified theory of classical quantum mechanics. January 2000 ed; Cranbury, NJ, 2000, BlackLight Power, Inc., (Distributed by Amazon.com; Posted at www.blacklightpower.com)) that successfully applies physical laws on all scales. Using the classical wave equation with the constraint of nonradiation based on Maxwell's equations, CQM gives closed form physical solutions for the electron in atoms, the free electron, and the free electron in superfluid helium. The prediction of fractional principal quantum energy states of the electron in liquid helium match the photoconductivity and mobility observations without requiring that the electron is divisible. (author)