Introduction to Classical Density Functional Theory by a Computational Experiment
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…
Statistical density modification using local pattern matching
International Nuclear Information System (INIS)
Statistical density modification can make use of local patterns of density found in protein structures to improve crystallographic phases. A method for improving crystallographic phases is presented that is based on the preferential occurrence of certain local patterns of electron density in macromolecular electron-density maps. The method focuses on the relationship between the value of electron density at a point in the map and the pattern of density surrounding this point. Patterns of density that can be superimposed by rotation about the central point are considered equivalent. Standard templates are created from experimental or model electron-density maps by clustering and averaging local patterns of electron density. The clustering is based on correlation coefficients after rotation to maximize the correlation. Experimental or model maps are also used to create histograms relating the value of electron density at the central point to the correlation coefficient of the density surrounding this point with each member of the set of standard patterns. These histograms are then used to estimate the electron density at each point in a new experimental electron-density map using the pattern of electron density at points surrounding that point and the correlation coefficient of this density to each of the set of standard templates, again after rotation to maximize the correlation. The method is strengthened by excluding any information from the point in question from both the templates and the local pattern of density in the calculation. A function based on the origin of the Patterson function is used to remove information about the electron density at the point in question from nearby electron density. This allows an estimation of the electron density at each point in a map, using only information from other points in the process. The resulting estimates of electron density are shown to have errors that are nearly independent of the errors in the original map using
Evolution of classical projected phase space density in billiards
Indian Academy of Sciences (India)
Debabrata Biswas
2005-04-01
The classical phase space density projected on to the configuration space offers a means of comparing classical and quantum evolution. In this alternate approach that we adopt here, we show that for billiards, the eigenfunctions of the coarse-grained projected classical evolution operator are identical to a first approximation to the quantum Neumann eigenfunctions. Moreover, there exists a correspondence between the respective eigenvalues although their time evolutions differ.
Introduction to Classical Density Functional Theory by Computational Experiment
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...
Mercury Beating Heart: Modifications to the Classical Demonstration
Najdoski, Metodija; Mirceski, Valentin; Petrusevski, Vladimir M.; Demiri, Sani
2007-01-01
The mercury beating heart (MBH) is a commonly performed experiment, which is based on varying oxidizing agents and substituting other metals for iron. Various modified versions of the classical demonstration of the experiment are presented.
Statistical density modification using local pattern matching
Terwilliger, Thomas C.
2007-01-23
A computer implemented method modifies an experimental electron density map. A set of selected known experimental and model electron density maps is provided and standard templates of electron density are created from the selected experimental and model electron density maps by clustering and averaging values of electron density in a spherical region about each point in a grid that defines each selected known experimental and model electron density maps. Histograms are also created from the selected experimental and model electron density maps that relate the value of electron density at the center of each of the spherical regions to a correlation coefficient of a density surrounding each corresponding grid point in each one of the standard templates. The standard templates and the histograms are applied to grid points on the experimental electron density map to form new estimates of electron density at each grid point in the experimental electron density map.
Modification of low-density lipoprotein by different radioiodination methods
International Nuclear Information System (INIS)
Scintigraphic imaging of radiolabeled low-density lipoproteins (LDL) is an interesting tool for the understanding of its role in pathomechanism of atherosclerosis. Metabolism of native LDL shows quite different pattern and kinetics as compared to that of modified LDL which is not mediated by classical LDL-receptor and accumulates in atherosclerotic lesions to form lipid-laden foam cells. Therefore we were interested whether radiolabelling of LDL induces structural modifications. We performed the iodine labeling of LDL for scintigraphic imaging of atherosclerosis by three different methods: chloramine-T (A), iodine monochloride (B) and iodogen (C). The highest radiolabelling yield of 125I was obtained by the iodogen method (75.44±13.52%) and the lowest (49.01±12.74%) by iodine monochloride. Chloramine T showed a labeling yield of 62.82±6.17%. The stability of the tracer was very high with all the methods, persisting up to 6 h (98.83±1.2% - 91.38±4.7%, 15 min vs 6 h after labeling). For the first time we not only investigated the influence of radiolabelling on relative electrophoretic mobility (REM), but also various oxidation parameters such as baseline dienes (BD), thiobarbituric acid reactive substances (TBARS), endogenous peroxides (POX) and oxidation resistance in the copper-mediated oxidation system (expressed as lag-time) were measured. Furthermore, oxidation- derived fragmentation of the lipoproteins was examined with SDS-PAGE electrophoresis. Data are expressed as % change compared to native LDL before radiolabeling. BD were reduced by 32% using the method (A), but increased by 33% and 47% with the monochloride (B) and iodogen method (C), respectively. The effect on lag-time was comparable for all the three methods, ranging from 25 to 36% reduction in lag-time. TBARS were strongly increased 5-7 fold by all the methods. REM was changed by all three methods. While by methods A and C we have found a moderate increase in REM by 1.75 and 2.0 fold
Modification of low-density lipoprotein by different radioiodination methods
Energy Technology Data Exchange (ETDEWEB)
Sobal, G. E-mail: grazyna.sobal@akh-wien.ac.at; Resch, U.; Sinzinger, H
2004-04-01
Scintigraphic imaging of radiolabeled low-density lipoproteins (LDL) is an interesting tool for the understanding of its role in pathomechanism of atherosclerosis. Metabolism of native LDL shows quite different pattern and kinetics as compared to that of modified LDL which is not mediated by classical LDL-receptor and accumulates in atherosclerotic lesions to form lipid-laden foam cells. Therefore we were interested whether radiolabelling of LDL induces structural modifications. We performed the iodine labeling of LDL for scintigraphic imaging of atherosclerosis by three different methods: chloramine-T (A), iodine monochloride (B) and iodogen (C). The highest radiolabelling yield of {sup 125}I was obtained by the iodogen method (75.44{+-}13.52%) and the lowest (49.01{+-}12.74%) by iodine monochloride. Chloramine T showed a labeling yield of 62.82{+-}6.17%. The stability of the tracer was very high with all the methods, persisting up to 6 h (98.83{+-}1.2% - 91.38{+-}4.7%, 15 min vs 6 h after labeling). For the first time we not only investigated the influence of radiolabelling on relative electrophoretic mobility (REM), but also various oxidation parameters such as baseline dienes (BD), thiobarbituric acid reactive substances (TBARS), endogenous peroxides (POX) and oxidation resistance in the copper-mediated oxidation system (expressed as lag-time) were measured. Furthermore, oxidation- derived fragmentation of the lipoproteins was examined with SDS-PAGE electrophoresis. Data are expressed as % change compared to native LDL before radiolabeling. BD were reduced by 32% using the method (A), but increased by 33% and 47% with the monochloride (B) and iodogen method (C), respectively. The effect on lag-time was comparable for all the three methods, ranging from 25 to 36% reduction in lag-time. TBARS were strongly increased 5-7 fold by all the methods. REM was changed by all three methods. While by methods A and C we have found a moderate increase in REM by 1.75 and 2
Improving experimental phases for strong reflections prior to density modification
International Nuclear Information System (INIS)
A genetic algorithm has been developed to optimize the phases of the strongest reflections in SIR/SAD data. This is shown to facilitate density modification and model building in several test cases. Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005 ▶), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. A computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography
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.
Decoherent Histories and the Emergent Classicality of Local Densities
Halliwell, J. J.
1999-01-01
In the context of the decoherent histories approach to quantum theory, it is shown that a class of macroscopic configurations consisting of histories of local densities (number, momentum, energy) exhibit negligible interference. This follows from the close connection of the local densities with the corresponding exactly conserved (and so exactly decoherent) quantities, and also from the observation that the eigenstates of local densities (averaged over a sufficiently large volume) remain appr...
A modification of classical conjugate gradient method using strong Wolfe line search
Shoid, Syazni; Rivaie, Mohd.; Mamat, Mustafa
2016-06-01
Recently many researches try to develop and improve the Conjugate Gradient (CG) methods because of its convergence properties and low computation costing. In this paper, another CG coefficient (βk) will be proposed which is categorized as modification in such a way to improve the performance of the classical CG methods. This paper is focused on generating βk with several desirable properties: (1) generate descent search direction at each iterations; and (2) converge globally by using strong Wolfe line search. Numerical comparisons of three CG methods show the robustness and the efficiency of the new method in solving all given problems.
International Nuclear Information System (INIS)
We derive the fundamental equations of an optimal control theory for systems containing both quantum electrons and classical ions. The system is modeled with Ehrenfest dynamics, a non-adiabatic variant of molecular dynamics. The general formulation, that needs the fully correlated many-electron wavefunction, can be simplified by making use of time-dependent density-functional theory. In this case, the optimal control equations require some modifications that we will provide. The abstract general formulation is complemented with the simple example of the H2+ molecule in the presence of a laser field. (paper)
Surface density profile and surface tension of the one-component classical plasma
International Nuclear Information System (INIS)
The density profile and the interfacial tension of two classical plasmas in equilibrium at different densities are evaluated in the square-density-gradient approximation. For equilibrium in the absence of applied external voltage, the profile is oscillatory in the higher-density plasma and the interfacial tension is positive. The amplitude and phase of these oscillations and the magnitude of the interfacial tension are related to the width of the background profile. Approximate representations of the equilibrium profile by matching of its asymptotic forms are analyzed. A comparison with computer simulation data and a critical discussion of a local-density theory are also presented. (author)
A comparison of wood density between classical Cremonese and modern violins.
Directory of Open Access Journals (Sweden)
Berend C Stoel
Full Text Available Classical violins created by Cremonese masters, such as Antonio Stradivari and Giuseppe Guarneri Del Gesu, have become the benchmark to which the sound of all violins are compared in terms of their abilities of expressiveness and projection. By general consensus, no luthier since that time has been able to replicate the sound quality of these classical instruments. The vibration and sound radiation characteristics of a violin are determined by an instrument's geometry and the material properties of the wood. New test methods allow the non-destructive examination of one of the key material properties, the wood density, at the growth ring level of detail. The densities of five classical and eight modern violins were compared, using computed tomography and specially developed image-processing software. No significant differences were found between the median densities of the modern and the antique violins, however the density difference between wood grains of early and late growth was significantly smaller in the classical Cremonese violins compared with modern violins, in both the top (Spruce and back (Maple plates (p = 0.028 and 0.008, respectively. The mean density differential (SE of the top plates of the modern and classical violins was 274 (26.6 and 183 (11.7 gram/liter. For the back plates, the values were 128 (2.6 and 115 (2.0 gram/liter. These differences in density differentials may reflect similar changes in stiffness distributions, which could directly impact vibrational efficacy or indirectly modify sound radiation via altered damping characteristics. Either of these mechanisms may help explain the acoustical differences between the classical and modern violins.
Directory of Open Access Journals (Sweden)
Dimitrios Theofanidis
2011-04-01
Full Text Available The Delphi Technique (DT is a research methodology that uses turns or rounds between the researcher and a group of experts, until a desired level of agreement or consensus between the members of the expert panel has been reached with regards to the question in hand. Despite its popular use in the social sciences' domain and its progressive adoption by nurse-researchers internationally, in Greece, there is a lack of its application; its comprehension, usage, and methodological merits are still in question within the Greek nursing research community. Aim: To provide a detailed presentation of the epistemological and practical value of the DT, through a series of four consecutive papers which expand on the following: i the classical methodological approach and its main modifications, ii the methodological reflections iii analysis and presentation of results, and iv the use and usefulness of the method in application to nursing research. The first of the four papers provides a description and a comparative assessment of the main variations of the DT. Results: A review of the literature elucidated three main sub-types of technique: the Classic or Conventional Delphi, the Policy Delphi and the Decision Delphi Technique. Nevertheless, due to many variations of the basic philosophy of the method and the many differentiations in its application, it is quite difficult to classify each study that used Delphi, with precision. The main methodological differences that can challenge the researcher are discussed and finally, examples that show the advantages and the usefulness of the individual Delphi techniques are given. Conclusions: Use of the DT in research has many advantages and it can become exceptionally useful once the content of the method and its practical applications are fully understood.
Haataja, Mikko; Gránásy, László; Löwen, Hartmut
2010-08-01
evolving microstructures in spatially extended system with atomic scale spatial resolution over diffusive time scales, DFT provides both its theoretical underpinning and (hopefully) the means to construct microscopically more quantitative density functionals for use in engineering materials. Outstanding issues within the PFC and DFT approaches, discussed next, will provide further opportunities for interactions between the PFC and DFT communities. 3. Important open issues and exciting avenues for further research In the following we summarize some of the exciting topics for future research, which were discussed during the CECAM workshop. They concern both fundamental problems and applications, all within the framework of DFT and PFC. Addressing these issues will provide a framework for future work in these two overlapping fields. (a) How to construct a reliable density functional (DF) for soft repulsions? Most of the recent developments in classical density functional theory were focussed on hard-sphere-like interactions in the framework of fundamental-measure-theory (FMT) [30-33]. While this approach can be extended to additive and nonadditive mixtures [34, 35] and to non-spherical hard objects [36, 37], it is much more difficult to include soft-core interactions, such as inverse-power-law pair-potentials. There have been attempts to include those, mainly using the Ramakrishnan-Yussouff [38] or the weighted-density [39-41] approximation, or other modifications (see e.g., [42, 43]), but the accuracy of these functionals are inferior to that of FMT for hard spheres. Clearly the FMT of Rosenfeld needs an extension for the hard-core Coulomb system. A complementary approach is to start from a density functional for hard orientable objects [36] and to integrate out the orientational degrees of freedom. This would lead to a softened effective repulsion between spherical objects. We mention finally that in the extreme limit of ultrasoft pair potentials, which are penetrable, the
Edge density modification with rf on TFTR and DIII-D
International Nuclear Information System (INIS)
Modification of the electron density profile in front of rf antennas has been observed on TFTR and DIII-D using reflectometers installed in-antenna to ensure localization to the antenna environment. The modification of the edge density gradient has two components: a flattening of the gradient in the private flux zone, and an increase in the edge density inside the last closed flux surface. In general, these modifications result in a significant decrease in the electron density over most of the private flux zone with a sharp rise in the density near the last closed flux surface. Data from TFTR is used to infer the dependence of this edge modification with antenna strap phasing and rf power. Initial results from DIII-D showing edge modification will also be discussed. Antenna modeling has shown that this modification in the private flux zone has only small effects on the antenna loading and launched spectrum
International Nuclear Information System (INIS)
Models of biological control have a long history of theoretical development that have focused on the interaction of a parasitoid and its host. The host-parasitoid systems have identified several important and general factors affecting the long-term dynamics of interacting populations. However, much less is known about how the initial densities of host-parasitoid populations affect the biological control as well as the stability of host-parasitoid systems. To do this, the classical Nicholson-Bailey model with host self-regulation and parasitoid intergenerational survival rate is used to uncover the effect of initial densities on the successful biological control. The results indicate that the simplest Nicholson-Bailey model has various coexistence with a wide range of parameters, including boundary attractors where the parasitoid population is absent and interior attractors where host-parasitoid coexists. The final stable states of host-parasitoid populations depend on their initial densities as well as their ratios, and those results are confirmed by basins of attraction of initial densities. The results also indicate that the parasitoid intergenerational survival rate increases the stability of the host-parasitoid systems. Therefore, the present research can help us to further understand the dynamical behavior of host-parasitoid interactions, to improve the classical biological control and to make management decisions
Turesson, Martin; Szparaga, Ryan; Ma, Ke; Woodward, Clifford E; Forsman, Jan
2014-05-14
A new classical density functional approach is developed to accurately treat a coarse-grained model of room temperature aromatic ionic liquids. Our major innovation is the introduction of charge-charge correlations, which are treated in a simple phenomenological way. We test this theory on a generic coarse-grained model for aromatic RTILs with oligomeric forms for both cations and anions, approximating 1-alkyl-3-methyl imidazoliums and BF₄⁻, respectively. We find that predictions by the new density functional theory for fluid structures at charged surfaces are very accurate, as compared with molecular dynamics simulations, across a range of surface charge densities and lengths of the alkyl chain. Predictions of interactions between charged surfaces are also presented. PMID:24718295
Modification of ionospheric electron density by dust suspension
Srivastava, Sweta; Mishra, Rashmi; Singh Sodha, Mahendra
2016-05-01
On the basis of a dynamic analysis the effectiveness of dust suspension for the reduction and enhancement of electron density in the E-layer of the ionosphere has been investigated in this paper. The analysis is based on the modelling of the E-layer as the Chapman α layer (validated earlier); the electron/ion production function, arrived at by Chapman and effective electron temperature-dependent electron–ion recombination coefficients in agreement with observations have been used. The balance of the charge on the particles and the number/energy balance of the constituents have been taken into account. The following is the physics of the change in electron density in the ionosphere by the suspension of dust. First, the dust provides a source (emission) and sink (accretion) of electrons. Second, the dust emits photoelectrons with energies much higher than those of ambient electrons, which enhances the electron temperature, leading to a reduced electron–ion recombination coefficient, and thus to a higher electron density. An interplay of these processes and the natural processes of electron production/annihilation determines the electron density and temperature in the dust suspension in the ionosphere. The numerical results, corresponding to suspension of dust of silicate (high work function) and Cs coated bronze (low work function) in the E-layer at 105 \\text{km} are presented and discussed.
A modification of Amiet's classical trailing edge noise theory for strictly two dimensional flows
Sandberg, Richard D.; Sandham, Neil D.
2007-01-01
The aim of this report is to derive theoretical expressions for the far-field pressure generated by disturbances convecting over a trailing edge. First, a general calculation of the far-field pressure is discussed. Then the classical theory of Amiet (1976b) is reviewed, listing the most relevant assumptions. Amiet's theory is then revised for two-dimensional flows.
Timmers, Inge; Zhang, Hui; Bastiani, Matteo; Jansma, Bernadette M; Roebroeck, Alard; Rubio-Gozalbo, M Estela
2015-03-01
White matter abnormalities have been observed in patients with classic galactosemia, an inborn error of galactose metabolism. However, magnetic resonance imaging (MRI) data collected in the past were generally qualitative in nature. Our objective was to investigate white matter microstructure pathology and examine correlations with outcome and behaviour in this disease, by using multi-shell diffusion weighted imaging. In addition to standard diffusion tensor imaging (DTI), neurite orientation dispersion and density imaging (NODDI) was used to estimate density and orientation dispersion of neurites in a group of eight patients (aged 16-21 years) and eight healthy controls (aged 15-20 years). Extensive white matter abnormalities were found: neurite density index (NDI) was lower in the patient group in bilateral anterior areas, and orientation dispersion index (ODI) was increased mainly in the left hemisphere. These specific regional profiles are in agreement with the cognitive profile observed in galactosemia, showing higher order cognitive impairments, and language and motor impairments, respectively. Less favourable white matter properties correlated positively with age and age at onset of diet, and negatively with behavioural outcome (e.g. visual working memory). To conclude, this study provides evidence of white matter pathology regarding density and dispersion of neurites in these patients. The results are discussed in light of suggested pathophysiological mechanisms. PMID:25344151
Superoxide-mediated modification of low density lipoprotein by arterial smooth muscle cells.
Heinecke, J W; Baker, L; Rosen, H; Chait, A.
1986-01-01
Extracellular superoxide was detected in cultures of monkey and human arterial smooth muscle cells as indicated by superoxide dismutase inhibitable reduction of cytochrome c. Superoxide production by these cells in the presence of Fe or Cu resulted in modification of low density lipoprotein (LDL). The degree of LDL modification was directly proportional to the rate of superoxide production by cells. Superoxide dismutase (100 micrograms/ml), and the general free radical scavengers butylated hy...
Polar-solvation classical density-functional theory for electrolyte aqueous solutions near a wall
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.
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...
Maximum-likelihood density modification using pattern recognition of structural motifs
International Nuclear Information System (INIS)
A likelihood-based density-modification method is extended to include pattern recognition of structural motifs. The likelihood-based approach to density modification [Terwilliger (2000 ▶), Acta Cryst. D56, 965–972] is extended to include the recognition of patterns of electron density. Once a region of electron density in a map is recognized as corresponding to a known structural element, the likelihood of the map is reformulated to include a term that reflects how closely the map agrees with the expected density for that structural element. This likelihood is combined with other aspects of the likelihood of the map, including the presence of a flat solvent region and the electron-density distribution in the protein region. This likelihood-based pattern-recognition approach was tested using the recognition of helical segments in a largely helical protein. The pattern-recognition method yields a substantial phase improvement over both conventional and likelihood-based solvent-flattening and histogram-matching methods. The method can potentially be used to recognize any common structural motif and incorporate prior knowledge about that motif into density modification
Chakraborty, Debdutta; Kar, Susmita; Chattaraj, Pratim Kumar
2015-12-21
The orbital free density functional theory and the single density equation approach are formally equivalent. An orbital free density based quantum dynamical strategy is used to study the quantum-classical correspondence in both weakly and strongly coupled van der Pol and Duffing oscillators in the presence of an external electric field in one dimension. The resulting quantum hydrodynamic equations of motion are solved through an implicit Euler type real space method involving a moving weighted least square technique. The Lagrangian framework used here allows the numerical grid points to follow the wave packet trajectory. The associated classical equations of motion are solved using a sixth order Runge-Kutta method and the Ehrenfest dynamics is followed through the solution of the time dependent Schrodinger equation using a time dependent Fourier Grid Hamiltonian technique. Various diagnostics reveal a close parallelism between classical regular as well as chaotic dynamics and that obtained from the Bohmian mechanics. PMID:26033095
Hamada, Joël; Pétrissans, Anélie; Mothe, Frédéric; Ruelle, Julien; Pétrissans, Mathieu; Gérardin, Philippe
2016-01-01
International audience AbstractKey messageThermogravimetric analysis, performed on small samples of earlywood (EW) or latewood (LW), indicated that earlywood is more susceptible to thermal degradation than latewood. These results suggest a direct relationship between wood density (which depends on the EW/LW ratio and indirectly on silviculture) and the response of wood during thermo-modification processes.ContextOne of the main difficulties in developing thermo-modified wood products at an...
International Nuclear Information System (INIS)
A critical analysis is given of the well-known expression for the electron-impact ionization rate constant αi of neutral atoms and ions, derived by linearization of the ionization cross section σi(ε) as a function of the electron energy near the threshold I and containing the characteristic factor (I + 2kT). Using the classical Thomson expression for the ionization cross section, it is shown that in addition to the linear slope of σi(ε), it is also necessary to take into account the large negative curvature of this function near the threshold. In this case, the second term in parentheses changes its sign, which means that the commonly used expression for αi (∼4kT/I) already at moderate values of the temperature (kT/I ∼ 0.1). The source of this error lies in a mathematical mistake in the original approach and is related to the incorrect choice of the sequential orders of terms small in the parameter kT/I. On the basis of a large amount of experimental data and considerations similar to the Gryzinski theory, a universal two-parameter modification of the Thomson formula (as well as the Bethe—Born formula) is proposed and a new simple expression for the ionization rate constant for arbitrary values of kT/I is derived
Non-classical radiation transport in random media with fluctuating densities
International Nuclear Information System (INIS)
The ensemble averaged propagation kernels of the non-classical radiation transport are studied by means of the proposed application of the stochastic differential equation random medium generators. It is shown that the non-classical transport is favored in long-correlated weakly fluctuating media. The developed kernel models have been implemented in GEANT4 and validated against the double Monte Carlomodeling of absorptions curves of disperse neutron absorbers and γ-albedos from a scatterer/absorber random mix
Energy Technology Data Exchange (ETDEWEB)
Buzi, Luxherta, E-mail: l.buzi@fz-juelich.de [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Université de Lorraine, Institut Jean Lamour, CNRS UMR 7198, Bvd. des Aiguillettes, F-54506 Vandoeuvre (France); Temmerman, Greg De [FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Oost, Guido Van [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); Möller, Sören [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany)
2014-12-15
Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10{sup 23} D{sup +}/m{sup 2} s and low: 9 · 10{sup 21} D{sup +}/m{sup 2} s). Particle fluence and ion energy, respectively 10{sup 26} D{sup +}/m{sup 2} and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion.
Energy Technology Data Exchange (ETDEWEB)
Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England; Terwilliger, Thomas; Terwilliger, T.C.; Grosse-Kunstleve, Ralf Wilhelm; Afonine, P.V.; Moriarty, N.W.; Zwart, P.H.; Hung, L.-W.; Read, R.J.; Adams, P.D.
2007-04-29
The PHENIX AutoBuild Wizard is a highly automated tool for iterative model-building, structure refinement and density modification using RESOLVE or TEXTAL model-building, RESOLVE statistical density modification, and phenix.refine structure refinement. Recent advances in the AutoBuild Wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model completion algorithms, and automated solvent molecule picking. Model completion algorithms in the AutoBuild Wizard include loop-building, crossovers between chains in different models of a structure, and side-chain optimization. The AutoBuild Wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 {angstrom} to 3.2 {angstrom}, resulting in a mean R-factor of 0.24 and a mean free R factor of 0.29. The R-factor of the final model is dependent on the quality of the starting electron density, and relatively independent of resolution.
International Nuclear Information System (INIS)
The highly automated PHENIX AutoBuild wizard is described. The procedure can be applied equally well to phases derived from isomorphous/anomalous and molecular-replacement methods. The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 to 3.2 Å, resulting in a mean R factor of 0.24 and a mean free R factor of 0.29. The R factor of the final model is dependent on the quality of the starting electron density and is relatively independent of resolution
Labeque, Regine; Mullon, Claudy J. P.; Ferreira, Joao Paulo M.; Lees, Robert S.; Langer, Robert
1993-04-01
Phospholipase A_2 (EC 3.1.1.4) hydrolyzes certain phospholipids of low density lipoprotein (LDL). Plasma clearance of phospholipase A_2-modified human LDL is up to 17 times faster than that of native human LDL in hypercholesterolemic rabbits. Modification of blood lipoproteins of hypercholesterolemic rabbits was performed by using an extracorporeal circuit containing immobilized phospholipase A_2. After 90-min treatments, nearly 30% decreases in plasma cholesterol concentrations were observed. Erythrocyte, leukocyte, and platelet counts showed no net change after treatment. This technique does not require any fluid replacement or sorbent regeneration and offers a potential approach for lowering serum cholesterol and LDL levels.
Jung, Ju-Hyun; Yakhshiev, Ulugbek; Kim, Hyun-Chul
2016-03-01
We investigate the medium modification of the generalized vector form factors of the nucleon, which include the electromagnetic and energy-momentum tensor form factors, based on an in-medium modified π -ρ -ω soliton model. We find that the vector form factors of the nucleon in nuclear matter fall off faster than those in free space, which implies that the charge radii of the nucleon become larger in nuclear medium than in free space. We also compute the corresponding transverse charge densities of the nucleon in nuclear matter, which clearly reveal the increasing of the nucleon size in nuclear medium.
Jung, Ju-Hyun; Kim, Hyun-Chul
2015-01-01
We investigate the medium modification of the generalized vector form factors of the nucleon, which include the electromagnetic and energy-momentum tensor form factors, based on an in-medium modified $\\pi$-$\\rho$-$\\omega$ soliton model. We find that the vector form factors of the nucleon in nuclear matter fall off faster than those in free space, which implies that the charge radii of the nucleon become larger in nuclear medium than in free space. We also compute the corresponding transverse charge densities of the nucleon in nuclear matter, which clearly reveal the increasing of the nucleon size in nuclear medium.
Timmers, I.; Zhang, H.; De Bastiani, M.; Jansma, BM; Roebroeck, A.; Rubio-Gozalbo, ME
2014-01-01
White matter abnormalities have been observed in patients with classic galactosemia, an inborn error of galactose metabolism. However, magnetic resonance imaging (MRI) data collected in the past were generally qualitative in nature. Our objective was to investigate white matter microstructure pathology and examine correlations with outcome and behaviour in this disease, by using multi-shell diffusion weighted imaging. In addition to standard diffusion tensor imaging (DTI), neurite orientation...
International Nuclear Information System (INIS)
This paper is an extension of our previous work on density functional models of electrons in magnetic fields. A full ''classical path'' (CP) one-body Green's function is used in the calculation of the kinetic functional and the one particle density. This treatment leads to a more precise expression of the density functional theory in the strong B case, in which magnetic fields are much stronger than the external scalar potential. In the semiclassical limit t→0, the CP Green's function is checked by an exact solvable system, interactionless electrons in a central harmonic potential and a constant magnetic field. It turns out that the Green's function is correct through the order O(t2). Furthermore, in the high B limit (but still t→0), the leading terms in B of the CP Green's function are the same as those of the exact Green's function in the entire t-expansion series
Marsalek, Ondrej; Markland, Thomas E.
2016-02-01
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.
Marsalek, Ondrej; Markland, Thomas E
2016-02-01
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. PMID:26851913
International Nuclear Information System (INIS)
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
Energy Technology Data Exchange (ETDEWEB)
Marsalek, Ondrej; Markland, Thomas E., E-mail: tmarkland@stanford.edu [Department of Chemistry, Stanford University, Stanford, California 94305 (United States)
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.
Marsalek, Ondrej
2015-01-01
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 ab initio ring polymer contraction (AI-RPC) 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 pro...
International Nuclear Information System (INIS)
We study the Casimir energy density of the Klein-Gordon-field in the case of two static geometries. We model the effect by coupling the free quantum field to a static classical scalar field. We work out the dependence on the coupling λ, including the limit λ=∞ (Dirichlet boundary condition). The chosen geometries are described by a δ-funktion (σ(x)=δ(x3)) and a step function of finite height (σ(x)(1)/(2ε)1[ε,ε](x3)), respectively. In the area outside the support of the background the density energy converges; calculations for the distorted area lead to divergent surface terms. (orig.)
Permeability parameter as a function of population density in classical infiltration equation
Abidin, Nor Hafizah; Ahmad, Rohanin; Nordin, Syarifah Zyurina
2014-12-01
Rapid development of urban areas has caused many problems especially related to water issues. The increase in urban development also means the increase in impervious surfaces due to expansion of buildings, roads, parking lots to name a few. Impervious surfaces have low water permeability compared to pervious surfaces. Also, infiltration capacity is dependent on the permeability of the area and subsequently permeability is dependent on the surface conditions. In this paper, we study the infiltration capacity with the assumption that permeability parameter can be described in the term of the population density of the area. The modified model is based on the original form of Green-Ampt equation. The new model with population density is able to describe permeability, hence the infiltration capacity of an area.
Classical Electron Model with Negative Energy Density in Einstein-Cartan Theory of Gravitation
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.
Core structure of a screw dislocation in Ti from density functional theory and classical potentials
International Nuclear Information System (INIS)
Previous density functional theory (DFT) studies of the 1/3 〈12¯10〉 screw dislocation in titanium have shown metastable core structures depending on the initial position of the dislocation line. We investigate this problem by modeling a screw dislocation with two initial positions using both DFT and a modified embedded atom (MEAM) potential for Ti with flexible boundary conditions. Both DFT and MEAM produce initial-position-dependent core structures. The MEAM potential stacking fault energies and core structures are in good agreement with DFT. MEAM potential computes the core energies and shows the behavior of both cores under applied strain. We found that the higher-energy core always reconstructs into the lower-energy one independent of the applied strain direction. Transformation from low- to high-energy core was not observed. Therefore, at T = 0 K, only the low-energy core is stable under applied strain.
González-Jiménez, Nicolás; Reisenegger, Andreas
2014-01-01
When a rotating neutron star loses angular momentum, the progressive reduction of the centrifugal force makes it contract. This perturbs each fluid element, raising the local pressure and originating deviations from beta equilibrium, inducing reactions that release heat (rotochemical heating). This effect has previously been studied by Fern\\'andez & Reisenegger (2005) for non-superfluid neutron stars and by Petrovich & Reisenegger (2010) for superfluid millisecond pulsars. Both studies found that pulsars reach a quasi-steady state in which the compression driving the matter out of beta equilibrium is balanced by the reactions trying to restore the equilibrium. We extend previous studies by considering the effect of density-dependence and anisotropy of the superfluid energy gaps, for the case in which the dominant reactions are the modified Urca processes, the protons are non-superconducting, and the neutron superfluidity is parametrized by models proposed in the literature. By comparing our prediction...
International Nuclear Information System (INIS)
We analyse the problem concerning the propagation of sound waves in gases by using the modified hydrodynamic theory proposed recently by Brenner for single-component fluids. The modifications introduced by Brenner are based on his proposal that the translational momentum in fluid motion is not given by the mass flux. Comparison of the sound propagation results derived from Brenner's theory with available experimental data for monatomic gases shows that this modified continuum theory is unable to describe the acoustic measurements not even in the low-frequency limit, a result that from our point of view makes Brenner's proposal questionable
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.
Härtel, Andreas; Samin, Sela; van Roij, René
2016-06-22
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. PMID:27116552
International Nuclear Information System (INIS)
We compare behaviour of quasi-two-dimensional aluminium crack tips undergoing mode I loading using orbital-free density functional theory (OFDFT) and the classical embedded atom method (EAM). Low-index crack orientations are compared in the context of the Griffith, Rice and Tadmor–Hai continuum criteria, using values from Kohn–Sham DFT (KSDFT). All orientations are predicted to be ductile, and twinning is expected to occur only in certain orientations of low-dimensional or low-temperature Al. OFDFT and the EAM predict similar values to KSDFT for the relevant properties. In simulations of two crack orientations, the critical stress intensity factor in EAM simulations is close to continuum predictions while crack tips modelled by OFDFT do not exhibit plasticity until loaded at least 13% over the continuum prediction. The EAM and OFDFT give qualitatively similar results for a crack orientation that emits edge dislocations. For a twinning orientation, OFDFT simulations emit partial dislocations in the same order, even with different pseudopotentials. However, EAM simulations predict that a partial is emitted along a different slip plane from OFDFT. Differences between EAM and OFDFT simulations suggest that methods that give accurate stacking fault energies, elastic constants and surface energies may not necessarily reproduce all important physical processes at crack tips
Lischner, Johannes; Arias, T. A.
2008-01-01
The Gordian knot of density-functional theories for classical molecular liquids remains finding an accurate free-energy functional in terms of the densities of the atomic sites of the molecules. Following Kohn and Sham, we show how to solve this problem by considering noninteracting molecules in a set of effective potentials. This shift in perspective leads to an accurate and computationally tractable description in terms of simple three-dimensional functions. We also treat both the linear- a...
International Nuclear Information System (INIS)
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) is important for improving the performance of TDDFT away from the equilibrium geometry. This observation is supported by the present TDDFT TDA/SH calculations which successfully confirm the main experimentally derived Gomer-Noyes mechanism for the photochemical CO ring opening of oxirane and, in addition, provide important state-specific information not easily accessible from experiments. In particular, we find that, while one of the lowest two excited states is photochemically relatively inert, excitation into the other excited state leads predominantly to rapid ring opening, cyclic-C2H4O→CH2CH2O. This is followed by hopping to the electronic ground state where hot (4000 K) dynamics leads to further reactions, namely, CH2CH2O→CH3CHO→CH3+CHO and CH4+CO. We note that, in the dynamics, we are not limited to following minimum energy pathways and several surface hops may actually be needed before products are finally reached. The performance of different functionals is then assessed by comparison of TDDFT and diffusion Monte Carlo potential energy curves along a typical TDDFT TDA/SH reaction path. Finally, although true (S0,S1) conical intersections are expected to be absent in adiabatic TDDFT, we show that the TDDFT TDA is able to approximate a conical intersection in this system.
Tapavicza, Enrico; Tavernelli, Ivano; Rothlisberger, Ursula; Filippi, Claudia; Casida, Mark E.
2008-09-01
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) is important for improving the performance of TDDFT away from the equilibrium geometry. This observation is supported by the present TDDFT TDA/SH calculations which successfully confirm the main experimentally derived Gomer-Noyes mechanism for the photochemical CO ring opening of oxirane and, in addition, provide important state-specific information not easily accessible from experiments. In particular, we find that, while one of the lowest two excited states is photochemically relatively inert, excitation into the other excited state leads predominantly to rapid ring opening, cyclic-C2H4O→C•H2CH2O•. This is followed by hopping to the electronic ground state where hot (4000K) dynamics leads to further reactions, namely, C•H2CH2O•→CH3CHO→C•H3+C•HO and CH4+CO. We note that, in the dynamics, we are not limited to following minimum energy pathways and several surface hops may actually be needed before products are finally reached. The performance of different functionals is then assessed by comparison of TDDFT and diffusion Monte Carlo potential energy curves along a typical TDDFT TDA/SH reaction path. Finally, although true (S0,S1) conical intersections are expected to be absent in adiabatic TDDFT, we show that the TDDFT TDA is able to approximate a conical intersection in this system.
Modification of surface properties of high and low density polyethylene by Ar plasma discharge
Czech Academy of Sciences Publication Activity Database
Švorčík, J.; Kolářová, K.; Slepička, P.; Macková, Anna; Novotná, M.; Hnatowicz, Vladimír
2006-01-01
Roč. 91, č. 6 (2006), s. 1219-1225. ISSN 0141-3910 R&D Projects: GA MŠk OC 527.100; GA MŠk 1P05OC014 Institutional research plan: CEZ:AV0Z10480505 Keywords : plasma polymerisation * surface modification Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.174, year: 2006
International Nuclear Information System (INIS)
An analytical method to evaluate spatio-temporal change in the current density profile directly from the motional Stark effect (MSE) diagnostic is applied to a discharge, where a neo-classical tearing mode (NTM) appeared and was stabilized by electron cyclotron current drive (ECCD). The analysis cleary shows a spatially localized decrease in current density at the magnetic island location, implying a decrease in bootstrap current due to a flattening of the pressure profile within the island. When the NTM is stabilized after the start of the ECCD application, as increase in current density at the island location is observed. (author)
Directory of Open Access Journals (Sweden)
S. Shalimettilsha
2014-04-01
Full Text Available The standard median filter is one of the most popular filters for removing impulse noise. The main effectiveness of this median filter is result in degradation of image quality. BDND filtering is an one of the important filtering algorithm which remove high density impulse noise (up to 90%. But some issues related to this algorithm which degrades its performance. To avoid this issues there are two modifications in this algorithm which improve image quality and improve the performance of the BDND algorithm.
Energy Technology Data Exchange (ETDEWEB)
Hoeng, Fanny; Denneulin, Aurore [Université Grenoble Alpes, LGP2 (France); Neuman, Charles [Poly-Ink (France); Bras, Julien, E-mail: julien.bras@grenoble-inp.fr [Université Grenoble Alpes, LGP2 (France)
2015-06-15
Synthesis of silver nanoparticles using cellulose nanocrystals (CNC) has been found to be a great method for producing metallic particles in a sustainable way. In this work, we propose to evaluate the influence of the charge density of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)-oxidized CNC on the morphology and the stability of synthetized silver nanoparticles. Silver nanoparticles were obtained by sol–gel reaction using borohydride reduction, and charge density of TEMPO-oxidized CNC was tuned by an amine grafting. The grafting was performed at room temperature and neutral pH. Crystallinity and morphology were kept intact during the peptidic reaction on CNC allowing knowing the exact impact of the charge density. Charge density has been found to have a strong impact on shape, organization, and suspension stability of resulting silver particles. Results show an easy way to tune the charge density of CNC and propose a sustainable way to control the morphology and stability of silver nanoparticles in aqueous suspension.
Electron density modification in ionospheric E layer by inserting fine dust particles
Energy Technology Data Exchange (ETDEWEB)
Misra, Shikha, E-mail: shikhamish@gmail.com [Centre for Energy Studies (CES), Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India); Mishra, S. K. [Institute for Plasma Research (IPR), Gandhinagar 382428 (India)
2015-02-15
In this paper, we have developed the kinetics of E-region ionospheric plasma comprising of fine dust grains and shown that the electron density in E-layer can purposely be reduced/enhanced up to desired level by inserting fine dust particles of appropriate physical/material properties; this may certainly be promising for preferred rf-signal processing through these layers. The analytical formulation is based on average charge theory and includes the number and energy balance of the plasma constituents along with charge balance over dust particles. The effect of varying number density, work function, and photo-efficiency of dust particles on ionospheric plasma density at different altitude in E-layer has been critically examined and presented graphically.
Electron density modification in ionospheric E layer by inserting fine dust particles
Misra, Shikha; Mishra, S. K.
2015-02-01
In this paper, we have developed the kinetics of E-region ionospheric plasma comprising of fine dust grains and shown that the electron density in E-layer can purposely be reduced/enhanced up to desired level by inserting fine dust particles of appropriate physical/material properties; this may certainly be promising for preferred rf-signal processing through these layers. The analytical formulation is based on average charge theory and includes the number and energy balance of the plasma constituents along with charge balance over dust particles. The effect of varying number density, work function, and photo-efficiency of dust particles on ionospheric plasma density at different altitude in E-layer has been critically examined and presented graphically.
Wave induced density modification in RF sheaths and close to wave launchers
Van Eester, D.; Crombé, K.; Lu, Ling-Feng
2015-12-01
With the return to full metal walls - a necessary step towards viable fusion machines - and due to the high power densities of current-day ICRH (Ion Cyclotron Resonance Heating) or RF (radio frequency) antennas, there is ample renewed interest in exploring the reasons for wave-induced sputtering and formation of hot spots. Moreover, there is experimental evidence on various machines that RF waves influence the density profile close to the wave launchers so that waves indirectly influence their own coupling efficiency. The present study presents a return to first principles and describes the wave-particle interaction using a 2-time scale model involving the equation of motion, the continuity equation and the wave equation on each of the time scales. Through the changing density pattern, the fast time scale dynamics is affected by the slow time scale events. In turn, the slow time scale density and flows are modified by the presence of the RF waves through quasilinear terms. Although finite zero order flows are identified, the usual cold plasma dielectric tensor - ignoring such flows - is adopted as a first approximation to describe the wave response to the RF driver. The resulting set of equations is composed of linear and nonlinear equations and is tackled in 1D in the present paper. Whereas the former can be solved using standard numerical techniques, the latter require special handling. At the price of multiple iterations, a simple 'derivative switch-on' procedure allows to reformulate the nonlinear problem as a sequence of linear problems. Analytical expressions allow a first crude assessment - revealing that the ponderomotive potential plays a role similar to that of the electrostatic potential arising from charge separation - but numerical implementation is required to get a feeling of the full dynamics. A few tentative examples are provided to illustrate the phenomena involved.
Effects of CZSi furnace modification on density of grown-in defects
Institute of Scientific and Technical Information of China (English)
任丙彦; 张志成; 刘彩池; 郝秋燕; 王猛
2002-01-01
During large diameter Czochralski silicon growth, heat zone and argon flow influence the formation of defects in silicon crystal by changing the distribution of temperature. Different silicon crys tals with various density of grown-in defects were grown by replacing the popular heater with the com posite heater and changing the popular argon flow into a controlled flow. The experimental results have been explained well by the numeric simulation of argon flow.
Wave induced density modification in RF sheaths and close to wave launchers
International Nuclear Information System (INIS)
With the return to full metal walls - a necessary step towards viable fusion machines - and due to the high power densities of current-day ICRH (Ion Cyclotron Resonance Heating) or RF (radio frequency) antennas, there is ample renewed interest in exploring the reasons for wave-induced sputtering and formation of hot spots. Moreover, there is experimental evidence on various machines that RF waves influence the density profile close to the wave launchers so that waves indirectly influence their own coupling efficiency. The present study presents a return to first principles and describes the wave-particle interaction using a 2-time scale model involving the equation of motion, the continuity equation and the wave equation on each of the time scales. Through the changing density pattern, the fast time scale dynamics is affected by the slow time scale events. In turn, the slow time scale density and flows are modified by the presence of the RF waves through quasilinear terms. Although finite zero order flows are identified, the usual cold plasma dielectric tensor - ignoring such flows - is adopted as a first approximation to describe the wave response to the RF driver. The resulting set of equations is composed of linear and nonlinear equations and is tackled in 1D in the present paper. Whereas the former can be solved using standard numerical techniques, the latter require special handling. At the price of multiple iterations, a simple ’derivative switch-on’ procedure allows to reformulate the nonlinear problem as a sequence of linear problems. Analytical expressions allow a first crude assessment - revealing that the ponderomotive potential plays a role similar to that of the electrostatic potential arising from charge separation - but numerical implementation is required to get a feeling of the full dynamics. A few tentative examples are provided to illustrate the phenomena involved
Wave induced density modification in RF sheaths and close to wave launchers
Energy Technology Data Exchange (ETDEWEB)
Van Eester, D., E-mail: d.van.eester@fz-juelich.de [Laboratory for Plasma Physics, ERM/KMS, EUROfusion Consortium Member, Brussels (Belgium); Crombé, K. [Laboratory for Plasma Physics, ERM/KMS, EUROfusion Consortium Member, Brussels (Belgium); Department of Applied Physics, Ghent University, Ghent (Belgium); Lu, Ling-Feng [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France)
2015-12-10
With the return to full metal walls - a necessary step towards viable fusion machines - and due to the high power densities of current-day ICRH (Ion Cyclotron Resonance Heating) or RF (radio frequency) antennas, there is ample renewed interest in exploring the reasons for wave-induced sputtering and formation of hot spots. Moreover, there is experimental evidence on various machines that RF waves influence the density profile close to the wave launchers so that waves indirectly influence their own coupling efficiency. The present study presents a return to first principles and describes the wave-particle interaction using a 2-time scale model involving the equation of motion, the continuity equation and the wave equation on each of the time scales. Through the changing density pattern, the fast time scale dynamics is affected by the slow time scale events. In turn, the slow time scale density and flows are modified by the presence of the RF waves through quasilinear terms. Although finite zero order flows are identified, the usual cold plasma dielectric tensor - ignoring such flows - is adopted as a first approximation to describe the wave response to the RF driver. The resulting set of equations is composed of linear and nonlinear equations and is tackled in 1D in the present paper. Whereas the former can be solved using standard numerical techniques, the latter require special handling. At the price of multiple iterations, a simple ’derivative switch-on’ procedure allows to reformulate the nonlinear problem as a sequence of linear problems. Analytical expressions allow a first crude assessment - revealing that the ponderomotive potential plays a role similar to that of the electrostatic potential arising from charge separation - but numerical implementation is required to get a feeling of the full dynamics. A few tentative examples are provided to illustrate the phenomena involved.
International Nuclear Information System (INIS)
Spin rotation parameters of proton elastic scattering from 58Ni have been measured at Ep=200, 300 and 400 MeV. By combining them with the previously measured cross sections and analyzing powers at the same energies, the series of measurements has become the 'complete' experiment. Cross sections and analyzing powers of proton elastic scattering from58Ni at 250 MeV, those of 120Sn at Ep=200, 250, 300 and 400 MeV and spin rotation parameters of 120Sn at Ep=300 MeV have been also newly measured. The experiment has been performed at Research Center for Nuclear Physics, Osaka University. In order to explain the 58Ni data, it has been necessary to use realistic density distributions deduced from the nuclear charge distribution and to modify coupling constants and masses of σ and ω mesons. For 120Sn, we have assumed the same modification and used the proton distribution deduced from the charge distribution, we have searched the neutron density distribution so as to reproduce the 120Sn data at 300 MeV. The deduced neutron distribution has an increase at the nuclear center, which seems to be due to wave functions of neutrons in the 3s1/2 orbit. It also explains the 120Sn data at other energies than 300 MeV. Root mean square radius difference between the neutron and proton distributions is consistent with a result derived from other experiment. Effects of ρ meson modifications on neutron densities are also mentioned. (author)
A Density Functional Theory study of the chemical surface modification of {beta}-SiC nanopores
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Calvino, M.; Trejo, A.; Cuevas, J.L.; Carvajal, E.; Duchen, G.I. [Instituto Politecnico Nacional, ESIME-Culhuacan, Av. Santa Ana 1000, 04430, D.F. (Mexico); Cruz-Irisson, M., E-mail: irisson@ipn.mx [Instituto Politecnico Nacional, ESIME-Culhuacan, Av. Santa Ana 1000, 04430, D.F. (Mexico)
2012-09-20
The dependence of the electronic band structure and density of states on the chemical surface passivation of cubic porous silicon carbide (PSiC) is investigated by means of the ab-initio Density Functional Theory and the supercell method in which pores with different sizes and morphologies were created. The porous structures were modeled by removing atoms in the [0 0 1] direction producing two different surface chemistries; one with both Silicon (Si) and Carbon (C) atoms and the other with only Si or C atoms. The changes in the electronic band gap due to a Si-rich and C-rich phase in the porous surfaces are studied with two kind of surface passivation, one with hydrogen atoms and other with a combination between hydrogen and oxygen atoms. The calculations show that for the hydrogenated case, the band gap is larger for the C-rich than for the Si-rich case. For the partial oxygenation the tendency is contrary, by decreasing and increasing the band gap for the C-rich and Si-rich configuration, respectively, according to the percentage of oxygen in the pore surface.
A crude model to study radio frequency induced density modification close to launchers
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The interplay between radio frequency (RF) waves and the density is discussed by adopting the general framework of a 2-time-scale multi-fluid treatment, allowing to separate the dynamics on the RF time scale from that on the time scale on which macroscopic density and flows vary as a result of the presence of electromagnetic and/or electrostatic fields. The focus is on regions close to launchers where charge neutrality is incomplete and waves are commonly evanescent. The fast time scale dynamics influences the slow time scale behavior via quasilinear terms (the Ponderomotive force for the case of the equation of motion). Electrons and ions are treated on the same footing. Also, both fast and slow waves are retained in the wave description. Although this work is meant as a subtopic of a large study—the wave induced “convective cell” physics at hand is of a 2- or 3-dimensional nature while this paper limits itself to a single dimension—a few tentative examples are presented
A crude model to study radio frequency induced density modification close to launchers
Energy Technology Data Exchange (ETDEWEB)
Van Eester, Dirk [Laboratory for Plasma Physics (ERM/KMS), EUROfusion Consortium Member, Trilateral Euregio Cluster, Brussels (Belgium); Crombé, Kristel [Laboratory for Plasma Physics (ERM/KMS), EUROfusion Consortium Member, Trilateral Euregio Cluster, Brussels (Belgium); Department of Applied Physics, Ghent University, Ghent (Belgium)
2015-12-15
The interplay between radio frequency (RF) waves and the density is discussed by adopting the general framework of a 2-time-scale multi-fluid treatment, allowing to separate the dynamics on the RF time scale from that on the time scale on which macroscopic density and flows vary as a result of the presence of electromagnetic and/or electrostatic fields. The focus is on regions close to launchers where charge neutrality is incomplete and waves are commonly evanescent. The fast time scale dynamics influences the slow time scale behavior via quasilinear terms (the Ponderomotive force for the case of the equation of motion). Electrons and ions are treated on the same footing. Also, both fast and slow waves are retained in the wave description. Although this work is meant as a subtopic of a large study—the wave induced “convective cell” physics at hand is of a 2- or 3-dimensional nature while this paper limits itself to a single dimension—a few tentative examples are presented.
In situ controlled modification of the helium density in single helium-filled nanobubbles
International Nuclear Information System (INIS)
We demonstrate that the helium density and corresponding pressure can be modified in single nano-scale bubbles embedded in semiconductors by using the electron beam of a scanning transmission electron microscope as a multifunctional probe: the measurement probe for imaging and chemical analysis and the irradiation source to modify concomitantly the pressure in a controllable way by fine tuning of the electron beam parameters. The control of the detrapping rate is achieved by varying the experimental conditions. The underlying physical mechanisms are discussed; our experimental observations suggest that the helium detrapping from bubbles could be interpreted in terms of direct ballistic collisions, leading to the ejection of the helium atoms from the bubble
In situ controlled modification of the helium density in single helium-filled nanobubbles
Energy Technology Data Exchange (ETDEWEB)
David, M.-L., E-mail: marie-laure.david@univ-poitiers.fr; Pailloux, F. [Institut Pprime, UPR 3346 CNRS-Université de Poitiers, SP2MI, 86962 Futuroscope-Chasseneuil cedex (France); Canadian Centre for Electron Microscopy, Mc Master University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Alix, K.; Mauchamp, V.; Pizzagalli, L. [Institut Pprime, UPR 3346 CNRS-Université de Poitiers, SP2MI, 86962 Futuroscope-Chasseneuil cedex (France); Couillard, M.; Botton, G. A. [Canadian Centre for Electron Microscopy, Mc Master University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Department of Materials Science and Engineering, Mc Master University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)
2014-03-28
We demonstrate that the helium density and corresponding pressure can be modified in single nano-scale bubbles embedded in semiconductors by using the electron beam of a scanning transmission electron microscope as a multifunctional probe: the measurement probe for imaging and chemical analysis and the irradiation source to modify concomitantly the pressure in a controllable way by fine tuning of the electron beam parameters. The control of the detrapping rate is achieved by varying the experimental conditions. The underlying physical mechanisms are discussed; our experimental observations suggest that the helium detrapping from bubbles could be interpreted in terms of direct ballistic collisions, leading to the ejection of the helium atoms from the bubble.
Charge density-dependent modifications of hydration shell waters by Hofmeister ions.
Guo, Feng; Friedman, Joel M
2009-08-12
Gadolinium (Gd(3+)) vibronic sideband luminescence spectroscopy (GVSBLS) is used to probe, as a function of added Hofmeister series salts, changes in the OH stretching frequency derived from first-shell waters of aqueous Gd(3+) and of Gd(3+) coordinated to three different types of molecules: (i) a chelate (EDTA), (ii) structured peptides (mSE3/SE2) of the lanthanide-binding tags (LBTs) family with a single high-affinity binding site, and (iii) a calcium-binding protein (calmodulin) with four binding sites. The vibronic sideband (VSB) corresponding to the OH stretching mode of waters coordinated to Gd(3+), whose frequency is inversely correlated with the strength of the hydrogen bonding to neighboring waters, exhibits an increase in frequency when Gd(3+) becomes coordinated to either EDTA, calmodulin, or mSE3 peptide. In all of these cases, the addition of cation chloride or acetate salts to the solution increases the frequency of the vibronic band originating from the OH stretching mode of the coordinated waters in a cation- and concentration-dependent fashion. The cation dependence of the frequency increase scales with charge density of the cations, giving rise to an ordering consistent with the Hofmeister ordering. On the other hand, water Raman spectroscopy shows no significant change upon addition of these salts. Additionally, it is shown that the cation effect is modulated by the specific anion used. The results indicate a mechanism of action for Hofmeister series ions in which hydrogen bonding among hydration shell waters is modulated by several factors. High charge density cations sequester waters in a configuration that precludes strong hydrogen bonding to neighboring waters. Under such conditions, anion effects emerge as anions compete for hydrogen-bonding sites with the remaining free waters on the surface of the hydration shell. The magnitude of the anion effect is both cation and Gd(3+)-binding site specific. PMID:19603752
Wickramarachchi, P. N.; Kawamoto, K.; Hamamoto, S.; Nagamori, M.; Moldrup, P.; Komatsu, T.
2011-12-01
Landfill sites have been emerging in greenhouse warming scenarios as a significant source of atmospheric methane (CH4). Until recently, landfill management strategies have mainly addressed the problem of preventing groundwater contamination and reduction of leachate generation. Being one of the largest sources of anthropogenic CH4 emission, the final cover system should also be designed for minimizing the greenhouse gases migration into the atmosphere or the areas surrounding the landfill while securing the hydraulic performance. Compared to the intensive research efforts on hydraulic performances of landfill final cover soil, few studies about gas transport characteristics of landfill cover soils have been done. However, recent soil-gas studies implied that the effects of soil physical properties such as bulk density (i.e., compaction level), soil particle size are key parameters to understand landfill gaseous performance. The gas exchange through the final cover soils is controlled by advective and diffusive gas transport. Air permeability (ka) governs the advective gas transport while the soil-gas diffusion coefficient (Dp) governs diffusive gas transport. In this study, the effects of compaction level and particle size fraction effects on ka and Dp for landfill final cover soil was investigated. The disturbed soil samples were taken from landfill final cover in Japan. A compaction tests were performed for the soil samples with two different size fractions (landfill final cover soil.
Mass modification of /D-meson at finite density in QCD sum rule
Hayashigaki1, A.
2000-08-01
We evaluate the mass shift of isospin-averaged /D-meson in the nuclear medium. Borel-transformed QCD sum rules are used to describe an interaction between the /D-meson and a nucleon by taking into account all the lowest dimension-4 operators in the operator product expansion (OPE). We find at normal matter density the /D-meson mass shift is about /10 times (/~50 MeV) larger than that of /J/ψ. This originates from the fact that the dominant contribution in the OPE for the /D-meson is the nucleon matrix element of mcq¯q, where mc is the charm-quark mass and /q denotes light quarks. We also discuss that the mass shift of the /D-meson in nuclear matter may cause the level crossings of the charmonium states and the /DD¯ threshold. This suggests an additional mechanism of the /J/ψ suppression in high energy heavy-ion collisions.
International Nuclear Information System (INIS)
Cosmic-ray muon radiography has the potential to reveal the density structure of gigantic objects. It utilizes the strong penetration ability of high-energy muons. By measuring the number of muons that travel through a target object, the average density can be calculated along the muon path. Since muons travel in straight paths through matter, specially designed detectors can generate density maps with higher spatial resolution than those obtained with conventional geophysical methods. However, this technique has a few notable limitations in that it can only be applied to near-surface structures above the muon sensor and strongly depends on the characteristics of the local topography. This is due to the fact that almost all cosmic-ray muons arrive only from the upper hemisphere. Geological structures, e.g. volcanoes, that allow for muon detectors to be placed on a slope directly below the point of interest are thus the best candidates for this technique. The drawback of muon radiography that only the horizontally integrated density above the sensor is measured with a time resolution larger than several weeks may be partly remedied by combining its results with gravity data, as they are both sensitive to target density while complementary to each other in several aspects. An example of such a combination is presented: real-time monitoring of magma head height in a volcano conduit. (topical review)
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The tubular plasma reactor was designed for the continuous surface modification of fine powders in non-equilibrium RF discharges. So far, little has been known about the plasma characteristics of this inductively coupled reactor system. Therefore, moderate pressure argon-oxygen discharges, commonly used for powder processing, are investigated with tailor-made probe techniques. The influence of plasma power, system pressure, gas composition and mean gas velocity on the axial profiles of plasma parameters was studied. Electron temperature and positive ion density profiles were measured with a Langmuir double probe and the energy influx due to the plasma was determined by a new type of calorimetric probe. The limits for the E-H-mode transition are provided and photographs of the discharge are presented to illustrate the relationship between process parameters and plasma characteristics. Both, ion density and energy influx increased with rising plasma power. The axial energy influx profiles were in addition strongly influenced by the mean gas velocity. Based on these profiles the maximum transient particle temperature was calculated as a function of the particle diameter. Particle temperatures in the order of 100 °C were estimated, whereas the thermal load of the substrates rises with increasing plasma power, residence time and pressure.
Institute of Scientific and Technical Information of China (English)
Zheng-ping Fang; Guo-wei Ma; Yu-zheng Xu; Li-fang Tong
2006-01-01
The synergism of ethylene-propylene-diene monomer copolymer (EPDM) and dicumyl peroxide (DCP, a crosslinking agent) in low density polyethylene (LDPE)/poly(vinyl chloride) (PVC) blends was investigated. When EDPM and DCP are added to the blends simultaneously, the tensile properties could be improved significantly, especially for the blends with LDPE matrix. For example, incorporation of 10/1 (mass ratio) EPDM/DCP improves the tensile strength of the LDPE/PVC (mass ratio 80/20) blend from 7.9 MPa to 8.5 MPa and the elongation at break from 25% to 503%. Results from selective extraction, phase-contrast microscopy and thermal analysis reveal that the improvement in the tensile properties of the blends with LDPE matrix is principally due to the formation of a fine crosslinking network of the LDPE and EPDM phase. The outstanding modification effect of EPDM is explained by its dual functions: molecular entanglement with LDPE and the enhanced efficiency of DCP in the blends.
Anomalous enhancement of the sheet carrier density beyond the classic limit on a SrTiO3 surface
Kumar, Neeraj; Kitoh, Ai; Inoue, Isao H.
2016-05-01
Electrostatic carrier accumulation on an insulating (100) surface of SrTiO3 by fabricating a field effect transistor with Parylene-C (6 nm)/HfO2 (20 nm) bilayer gate insulator has revealed a mystifying phenomenon: sheet carrier density is about 10 times as large as ( is the sheet capacitance of the gate insulator, VG is the gate voltage, and e is the elementary charge). The channel is so clean to exhibit small subthreshod swing of 170 mV/decade and large mobility of 11 cm2/Vs for of 1 × 1014 cm‑2 at room temperature. Since does not depend on either VG nor time duration, beyond is solely ascribed to negative charge compressibility of the carriers, which was in general considered as due to exchange interactions among electrons in the small limit. However, the observed is too large to be naively understood by the framework. Alternative ideas are proposed in this work.
Shkrob, I A; Larsen, R E; Schwartz, B J; Glover, William J.; Larsen, Ross E.; Schwartz, Benjamin J.; Shkrob, Ilya A.
2006-01-01
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were extracted from these simulations and embedded in a matrix of fractional point charges designed to represent the rest of the solvent. Density functional theory and single-excitation configuration interaction methods were then applied to these embedded clusters. The salient feature of these hybrid calculations is significant transfer (ca. 0.18) of the excess electron's charge density into the O 2p orbitals in OH groups forming the solvation cavity. We used the results of these calculations to examine the structure of the molecular orbitals, the density of states, the absorption spectra in the visible and ultraviolet, the hyperfine coupling (hfc) tensors, and the IR and Raman spectra of the e-. The calculated hfc tensors were used to compute the EPR and ESEEM spectra for the ...
Wilson, J R U; Rees, M; Ajuonu, O
2006-04-01
The release of classical biological control agents has reduced the economic, environmental and social problems caused by water hyacinth, Eichhornia crassipes; however, additional control measures are needed in some locations. Water hyacinth plants were treated with different densities of eggs of the weevil Neochetina eichhorniae Warner, one of the main control agents, under different nutrient regimes in a controlled experiment. Plants were destructively sampled and the development of N. eichhorniae was assessed. The survival of first and second instars declined as larval density increased. Plant nutrient status did not directly affect the mortality rate of larvae, but at higher nutrient concentrations larvae developed faster and were larger at a given developmental stage. It is argued that the density dependence operating in N. eichhorniae occurs through an interaction between young larvae and leaf longevity. Consequently, events which disrupt water hyacinth leaf dynamics, e.g. frost or foliar herbicides, will have a disproportionately large effect on the control agents and may reduce the level of control of the host. PMID:16556335
International Nuclear Information System (INIS)
Physics Department, Nuclear Research Center Negevu Some recent developments in classical density functional theory are reviewed briefly, concerning mainly dimensional cross-over, close packed configurations, symmetry breaking, and the freezing transition. The so called Fundamental Measure Functionals are based on the fundamental geometric measures of the individuals hard particles. They were originally derived by seeking an interpolation between the ideal gas and idea - liquid limits. Their general behavior depends crucially on their singularity at local packing fraction η(r) = ∫ dr'ρ(r')θ(R-(|r-r'|) equal one, η(r)=1 , where θ(x) is the Heaviside step function. Several very recent analyses revealed that the fundamental measure functionals, due to their singularity and their unique structure, have many of the basic physical properties expected from the exact (but unknowns) free-energy functional when applied to densely packed hard-spheres. These properties are important also for applications to continuous (''soft'') interactions
Mayfield, Cedric Leon
Phase stability and charge transport of pristine and transition metal alloyed bismuth titanate (Bi2Ti2O7, a.k.a. BTO), a photocatalytic water splitter, has been studied using the generalized gradient approximated density functional theory (GGA-DFT). The primary goals of this work were to predict the effective conditions for pure phase synthesis of the modified ternary multi-metal oxide and to determine the most suitable modifications for enhancing its photocatalytic properties. To understand the details of phase stability and photoconduction, we have derived the formation enthalpies, defect formation energies, electronic structures, spectral absorptions and polaron activation energies for pristine and transition metal doped bismuth titanate (Bi2Ti2O7, a.k.a. BTO). Implantation of the localized 3d electrons is a primary band engineering technique for extending the spectral absorptions of metal oxides into the visible range. However, localized states typically increase charge trapping that reduces crucial photocurrent for the photocatalytic process. Therefore one objective here is to understand the extent to which localization plays a role in electron transfer and which mode of conduction, band or polaron hopping, is dominantly effected. As predicting the effective conditions for pure phase stability and modeling electron transport of multi metal oxide materials is still in development as a whole, we have benchmarked our methods by reproducing relative quantities of world class metal oxide photocatalyst, rutile TiO2 and monoclinic scheelite BiVO4. In recognition of our methods, our results have been used to enhance H2 production of a facile hydrothermal synthesized Fe-doped BTO. Furthermore, we demonstrate with results for Cr- and Mn-doped BTO how experimental characterization can also be enhanced. For each transition metal ion (M = Cr, Mn, and Fe), pure phase stability has a unique association with the presence or absence of O defects. Band modifications vary with
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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.
International Nuclear Information System (INIS)
The rapid neutron-capture process (r-process) encounters unstable nuclei far from β-stability. Therefore its observable features, like the abundances, witness (still uncertain) nuclear structure as well as the conditions in the appropriate astrophysical environment. With the remaining lack of a full understanding of its astrophysical origin, parameterized calculations are still needed. We consider two approaches: (1) the classical approach is based on (constant) neutron number densities nn and temperatures T over duration timescales τ; (2) recent investigations, motivated by the neutrino wind scenario from hot neutron stars after a supernova explosion, followed the expansion of matter with initial entropies S and electron fractions Ye over expansion timescales τ. In the latter case the freezeout of reactions with declining temperatures and densities can be taken into account explicitly. We compare the similarities and differences between the two approaches with respect to resulting abundance features and their relation to solar r-process abundances, applying for the first time different nuclear mass models in entropy-based calculations. Special emphasis is given to the questions of (a) whether the same nuclear properties far from stability lead to similar abundance patterns and possible deficiencies in (1) and (2), and (b) whether some features can also provide clear constraints on the astrophysical conditions in terms of permitted entropies, Ye values, and expansion timescales in (2). This relates mostly to the A<110 mass range, where a fit to solar r-abundances in high-entropy supernova scenarios seems to be hard to attain. Possible low-entropy alternatives are presented. copyright copyright 1999. The American Astronomical Society
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.
Kawamura, M.; Heinecke, J W; Chait, A.
1994-01-01
Oxidized lipoproteins may be important in the pathogenesis of atherosclerosis. Because diabetic subjects are particularly prone to vascular disease, and glucose autoxidation and protein glycation generate reactive oxygen species, we explored the role of glucose in lipoprotein oxidation. Glucose enhanced low density lipoprotein (LDL) oxidation at concentrations seen in the diabetic state. Conjugated dienes, thiobarbituric acid reactive substances, electrophoretic mobility, and degradation by m...
International Nuclear Information System (INIS)
To quantitatively assess the predictive power of early variations of parotid gland volume and density on final changes at the end of therapy and, possibly, on acute xerostomia during IMRT for head-neck cancer. Data of 92 parotids (46 patients) were available. Kinetics of the changes during treatment were described by the daily rate of density (rΔρ) and volume (rΔvol) variation based on weekly diagnostic kVCT images. Correlation between early and final changes was investigated as well as the correlation with prospective toxicity data (CTCAEv3.0) collected weekly during treatment for 24/46 patients. A higher rΔρ was observed during the first compared to last week of treatment (-0,50 vs -0,05HU, p-value = 0.0001). Based on early variations, a good estimation of the final changes may be obtained (Δρ: AUC = 0.82, p = 0.0001; Δvol: AUC = 0.77, p = 0.0001). Both early rΔρ and rΔvol predict a higher ''mean'' acute xerostomia score (≥ median value, 1.57; p-value = 0.01). Median early density rate changes for patients with mean xerostomia score ≥ / 3/day for rΔρ and rΔvol respectively. Further studies are necessary to definitively assess the potential of early density/volume changes in identifying more sensitive patients at higher risk of experiencing xerostomia. (orig.)
Cohn, A G; Rabinowitz, Mario
2003-01-01
A classical representation of an extended body over barriers of height greater than the energy of the incident body is shown to have many features in common with quantum tunneling as the center-of-mass literally goes through the barrier. It is even classically possible to penetrate any finite barrier with a body of arbitrarily low energy if the body is sufficiently long. A distribution of body lengths around the de Broglie wavelength leads to reasonable agreement with the quantum transmission coefficient.
Cohn, Arthur; Rabinowitz, Mario
2003-01-01
A classical representation of an extended body over barriers of height greater than the energy of the incident body is shown to have many features in common with quantum tunneling as the center-of-mass literally goes through the barrier. It is even classically possible to penetrate any finite barrier with a body of arbitrarily low energy if the body is sufficiently long. A distribution of body lengths around the de Broglie wavelength leads to reasonable agreement with the quantum transmission...
Mould, Richard A
2003-01-01
Preciously given rules allow conscious systems to be included in quantum mechanical systems. There rules are derived from the empirical experience of an observer who witnesses a quantum mechanical interaction leading to the capture of a single particle. In the present paper it is shown that purely classical changes experienced by an observer are consistent with these rules. Three different interactions are considered, two of which combine classical and quantum mechanical changes. The previous...
Classicalization of quantum variables and quantum–classical hybrids
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The extraction of classical degrees of freedom in quantum mechanics is studied in the stochastic variational method. By using this classicalization, a hybrid model constructed from quantum and classical variables (quantum–classical hybrids) is derived. In this procedure, conservation laws such as energy are maintained, and Ehrenfest's theorem is still satisfied with modification. The criterion for the applicability of quantum–classical hybrids is also discussed. - Highlights: • The new derivation of a quantum–classical hybrid (QCH) model is discussed based on a variational principle. • Any conserved quantities are automatically defined as the invariant transforms of a stochastic action. • The quantitative criterion to determine the validity of QCH is proposed. • Ehrenfest's theorem is satisfied in a modified way
Effective state metamorphosis in semi-classical loop quantum cosmology
International Nuclear Information System (INIS)
Modification to the behaviour of geometrical density at short scales is a key result of loop quantum cosmology, responsible for an interesting phenomenology in the very early universe. We demonstrate the way matter with arbitrary scale factor dependence in Hamiltonian incorporates this change in its effective dynamics in the loop-modified phase. For generic matter, the equation of state starts varying near a critical scale factor, becomes negative below it and violates the strong energy condition. This opens a new avenue to generalize various phenomenological applications in loop quantum cosmology. We show that different ways to define energy density may yield radically different results, especially for the case corresponding to classical dust. We also discuss implications for frequency dispersion induced by modification to geometric density at small scales
Mould, R A
2003-01-01
Preciously given rules allow conscious systems to be included in quantum mechanical systems. There rules are derived from the empirical experience of an observer who witnesses a quantum mechanical interaction leading to the capture of a single particle. In the present paper it is shown that purely classical changes experienced by an observer are consistent with these rules. Three different interactions are considered, two of which combine classical and quantum mechanical changes. The previously given rules support all of these cases. Key Words: brain states, conscious observer, detector, measurement, probability current, state reduction, von Neumann, wave collapse.
Danforth, Douglas G.
2001-01-01
Classical systems can be entangled. Entanglement is defined by coincidence correlations. Quantum entanglement experiments can be mimicked by a mechanical system with a single conserved variable and 77.8% conditional efficiency. Experiments are replicated for four particle entanglement swapping and GHZ entanglement.
Gallavotti, Giovanni
1999-01-01
This is the English version of a friendly graduate course on Classical Mechanics, containing about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. For the Spanish version, see physics/9906066
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Belli, Maria Luisa; Broggi, Sara [Ospedale San Raffaele Scientific Institute, Medical Physics, Milano (Italy); Scalco, Elisa; Rizzo, Giovanna [CNR, Istituto di Bioimmagini e Fisiologia Molecolare, Milano (Italy); Sanguineti, Giuseppe [Regina Elena National Cancer Institute, Department of Radiation Oncology, Rome (Italy); Fiorino, Claudio; Cattaneo, Giovanni Mauro [Ospedale San Raffaele Scientific Institute, Medical Physics, Milano (Italy); CNR, Istituto di Bioimmagini e Fisiologia Molecolare, Milano (Italy); Dinapoli, Nicola; Valentini, Vincenzo [Universita Cattolica del Sacro Cuore, Radiotherapy, Rome (Italy); Ricchetti, Francesco [Ospedale Sacro Cuore, Radiotherapy, Negrar (Italy)
2014-11-15
To quantitatively assess the predictive power of early variations of parotid gland volume and density on final changes at the end of therapy and, possibly, on acute xerostomia during IMRT for head-neck cancer. Data of 92 parotids (46 patients) were available. Kinetics of the changes during treatment were described by the daily rate of density (rΔρ) and volume (rΔvol) variation based on weekly diagnostic kVCT images. Correlation between early and final changes was investigated as well as the correlation with prospective toxicity data (CTCAEv3.0) collected weekly during treatment for 24/46 patients. A higher rΔρ was observed during the first compared to last week of treatment (-0,50 vs -0,05HU, p-value = 0.0001). Based on early variations, a good estimation of the final changes may be obtained (Δρ: AUC = 0.82, p = 0.0001; Δvol: AUC = 0.77, p = 0.0001). Both early rΔρ and rΔvol predict a higher ''mean'' acute xerostomia score (≥ median value, 1.57; p-value = 0.01). Median early density rate changes for patients with mean xerostomia score ≥ / < 1.57 were -0.98 vs -0.22 HU/day respectively (p = 0.05). Early density and volume variations accurately predict final changes of parotid glands. A higher longitudinally assessed score of acute xerostomia is well predicted by higher rΔρ and rΔvol in the first two weeks of treatment: best cut-off values were -0.50 HU/day and -380 mm{sup 3}/day for rΔρ and rΔvol respectively. Further studies are necessary to definitively assess the potential of early density/volume changes in identifying more sensitive patients at higher risk of experiencing xerostomia. (orig.) [German] Ziel der Studie ist die Untersuchung der praediktiven Aussagekraft von fruehen Veraenderungen in Volumen und Dichte der Ohrspeicheldruese in Bezug auf die finale Verformung zum Ende der Therapie sowie das Risiko von Xerostomie waehrend der intesitaetsmodulierten Strahlentherapie (IMRT) bei Kopf und Hals Tumoren. Die Studie
Energy Technology Data Exchange (ETDEWEB)
Colas, L., E-mail: laurent.colas@cea.fr [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Jacquet, Ph. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Van Eester, D. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Bobkov, V. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Brix, M.; Meneses, L. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Tamain, P. [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Marsen, S. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Silva, C. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa (Portugal); Carralero, D.; Kočan, M.; Müller, H.-W. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Crombé, K.; Křivska, A. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Goniche, M. [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Lerche, E. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Rimini, F.G. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom)
2015-08-15
Combining Lithium beam emission spectroscopy and edge reflectometry, localized Scrape-Off Layer (SOL) density modifications by Ion Cyclotron Range of Frequencies (ICRF) near fields were characterized in JET L-mode plasmas. When using the ICRF wave launchers connected magnetically to the Li-beam chord, the density decreased more steeply 2–3 cm outside the last closed flux surface (mapped onto the outer mid-plane) and its value at the outer limiter radial position was half the ohmic value. The depletion depends on the ICRF power and on the phasing between adjacent radiating straps. Convection due to ponderomotive effects and/or E × B{sub 0} drifts is suspected: during ICRF-heated H-mode discharges in 2013, DC potentials up to 70 V were measured locally in the outer SOL by a floating reciprocating probe, located toroidally several metres from the active antennas. These observations are compared with probe measurements on ASDEX-Upgrade. Their implications for wave coupling, heat loads and impurity production are discussed.
Miller, William H; Cotton, Stephen J
2016-08-28
It is pointed out that the classical phase space distribution in action-angle (a-a) variables obtained from a Wigner function depends on how the calculation is carried out: if one computes the standard Wigner function in Cartesian variables (p, x), and then replaces p and x by their expressions in terms of a-a variables, one obtains a different result than if the Wigner function is computed directly in terms of the a-a variables. Furthermore, the latter procedure gives a result more consistent with classical and semiclassical theory-e.g., by incorporating the Bohr-Sommerfeld quantization condition (quantum states defined by integer values of the action variable) as well as the Heisenberg correspondence principle for matrix elements of an operator between such states-and has also been shown to be more accurate when applied to electronically non-adiabatic applications as implemented within the recently developed symmetrical quasi-classical (SQC) Meyer-Miller (MM) approach. Moreover, use of the Wigner function (obtained directly) in a-a variables shows how our standard SQC/MM approach can be used to obtain off-diagonal elements of the electronic density matrix by processing in a different way the same set of trajectories already used (in the SQC/MM methodology) to obtain the diagonal elements. PMID:27586896
Pietzsch, Jens; Laube, Markus; Bechmann, Nicole; Pietzsch, Franz-Jacob; Kniess, Torsten
2016-01-01
It has been suggested that 2,3-diaryl-substituted indole-based cyclooxygenase-2 (COX-2) inhibitors (2,3-diaryl-indole coxibs) do not only appear as potent anti-inflammatory agents but also show the ability to scavenge reactive oxygen species (ROS). This led to the hypothesis that 2,3-diaryl-indole coxibs also may act as potent inhibitors of oxidative modification of low-density lipoprotein (LDL), which is considered a key factor in atherogenesis. The aim of this study was to explore i) the reactivity of a series of new synthesized 2,3-diaryl-indoles with several well characterized LDL oxidation systems and ii) subsequent effects on an inflammatory/atherogenic microenvironment. The results demonstrate that under the present experimental conditions2,3-diaryl-indoles showed potent ROS scavenging activity and were able to markedly inhibit LDL oxidation. Subsequently, this led to a substantial decrease of modified LDL uptake by scavenger receptors in THP-1 macrophages in vitro and in rats in vivo. Moreover, modified LDL-mediated monocyte/neutrophil adhesion to endothelial cells, macrophage NFκB activation, as well as macrophage and endothelial cell cytokine release was diminished in vitro. The reduction of modified LDL-induced atherogenic effects by antioxidant 2,3-diaryl-indole coxibs may widen the therapeutic window of COX-2 targeted treatment. PMID:25547413
International Nuclear Information System (INIS)
A review of tachyons, with particular attention to their classical theory, is presented. The extension of Special Relativity to tachyons in two dimensional is first presented, an elegant model-theory which allows a better understanding also of ordinary physics. Then, the results are extended to the four-dimensional case (particular on tachyon mechanics) that can be derived without assuming the existence of Super-luminal reference-frames. Localizability and the unexpected apparent shape of tachyonic objects are discussed, and it is shown (on the basis of tachyon kinematics) how to solve the common causal paradoxes. In connection with General Relativity, particularly the problem of the apparent superluminal expansions in astrophysics is reviewed. The problem (still open) of the extension of relativitic theories to tachyons in four dimensions is tackled, and the electromagnetic theory of tachyons, a topic that can be relevant also for the experimental side, is reviewed. (Author)
Effective State Metamorphosis in Semi-Classical Loop Quantum Cosmology
Singh, P
2005-01-01
Modification to the behavior of geometrical density at short scales is a key result of loop quantum cosmology, responsible for an interesting phenomenology in the very early universe. We demonstrate the way a perfect fluid with arbitrary equation of state incorporates this change in its effective dynamics in the loop modified phase. We show that irrespective of the choice of matter component, stress-energy conservation law generically implies that classical equation of state metamorphoses itself to an effective negative equation of state below a critical scale determined by the theory.
What classicality? Decoherence and Bohr's classical concepts
Schlosshauer, Maximilian
2010-01-01
Niels Bohr famously insisted on the indispensability of what he termed "classical concepts." In the context of the decoherence program, on the other hand, it has become fashionable to talk about the "dynamical emergence of classicality" from the quantum formalism alone. Does this mean that decoherence challenges Bohr's dictum and signifies a break with the Copenhagen interpretation-for example, that classical concepts do not need to be assumed but can be derived? In this paper we'll try to shine some light down the murky waters where formalism and philosophy cohabitate. To begin, we'll clarify the notion of classicality in the decoherence description. We'll then discuss Bohr's and Heisenberg's take on the quantum-classical problem and reflect on different meanings of the terms "classicality" and "classical concepts" in the writings of Bohr and his followers. This analysis will allow us to put forward some tentative suggestions for how we may better understand the relation between decoherence-induced classical...
Pelham, W E; Fabiano, G A
2000-07-01
Attention deficit/hyperactivity disorder (ADHD) is a chronic and substantially impairing disorder. This means that treatment must also be chronic and substantial. Behavior Modification, and in many cases, the combination of behavior modification and stimulant medication, is a valid, useful treatment for reducing the pervasive impairment experienced by children with ADHD. Based on the research evidence reviewed, behavior modification should be the first line of treatment for children with ADHD. PMID:10944662
The classical version of Stokes' Theorem revisited
DEFF Research Database (Denmark)
Markvorsen, Steen
2008-01-01
Using only fairly simple and elementary considerations - essentially from first year undergraduate mathematics - we show how the classical Stokes' theorem for any given surface and vector field in $\\mathbb{R}^{3}$ follows from an application of Gauss' divergence theorem to a suitable modification...
The Classical Version of Stokes' Theorem Revisited
Markvorsen, Steen
2008-01-01
Using only fairly simple and elementary considerations--essentially from first year undergraduate mathematics--we show how the classical Stokes' theorem for any given surface and vector field in R[superscript 3] follows from an application of Gauss' divergence theorem to a suitable modification of the vector field in a tubular shell around the…
Classical-field theory of thermal radiation
Rashkovskiy, Sergey A
2016-01-01
In this paper, using the viewpoint that quantum mechanics can be constructed as a classical field theory without any quantization I build a fully classical theory of thermal radiation. Planck's law for the spectral energy density of thermal radiation and the Einstein A-coefficient for spontaneous emission are derived in the framework of classical field theory without using the concept of "photon". It is shown that the spectral energy density of thermal radiation is apparently not a universal function of frequency, as follows from the Planck's law, but depends weakly on the nature of atoms, while Planck's law is valid only as an approximation in the limit of weak excitation of atoms.
Directory of Open Access Journals (Sweden)
Grantab Rama H
2012-06-01
Full Text Available Abstract Background Limited penetration of anticancer drugs in solid tumours is a probable cause of drug resistance. Our previous results indicate that drug penetration depends on cellular packing density and adhesion between cancer cells. Methods We used epithelioid and round cell variants of the HCT-8 human colon carcinoma cell lines to generate tightly and loosely packed xenografts in nude mice. We measured packing density and interstitial fluid pressure (IFP and studied the penetration of anti-cancer drugs through multilayered cell cultures (MCC derived from epithelioid HCT-8 variants, and the distribution of doxorubicin in xenografts with and without pre-treatment with bortezomib. Results We show lower packing density in xenografts established from round cell than epithelioid cell lines, with lower IFP in xenografts. There was better distribution of doxorubicin in xenografts grown from round cell variants, consistent with previous data in MCC. Bortezomib pre-treatment reduced cellular packing density, improved penetration, and enhanced cytotoxcity of several anticancer drugs in MCC derived from epithelioid cell lines. Pre-treatment of xenografts with bortezomib enhanced the distribution of doxorubicin within them. Conclusions Our results provide a rationale for further investigation of agents that enhance the distribution of chemotherapeutic drugs in combination with conventional chemotherapy in solid tumours.
Applications of classical detonation theory
Energy Technology Data Exchange (ETDEWEB)
Davis, W.C.
1994-09-01
Classical detonation theory is the basis for almost all calculations of explosive systems. One common type of calculation is of the detailed behavior of inert parts driven by explosive, predicting pressures, velocities, positions, densities, energies, etc as functions of time. Another common application of the theory is predicting the detonation state and expansion isentrope of a new explosive or mixtures, perhaps an explosive that has not yet been made. Both types of calculations are discussed.
PES fabric plasma modification
Vatuňa, T.; Špatenka, P.; Píchal, J.; Koller, J.; Aubrecht, L.; Wiener, J.
2004-03-01
Polyester ranks the upper position in the world fiber production — nearly 54% of the total production of synthetic fibers. Troubles connected with minimizing of the textile hydrophobicity are usually being solved by the textile fibers’ surface chemical modification, but from ecological point of view modification of fabric with low temperature plasma is superior to classical chemical wet processes. Application of various plasmas for PES treatment has been already described. To compare the effectiveness of different plasma sources we performed a series of experiment both in RF and MW plasmas. For working gas nitrogen, oxygen and their mixtures were employed. Internal plasma control was provided by measurement of optical emission spectra. The hydrophilicity degree was determined by the drop test. Paper discusses optimal conditions of the PES fabric plasma treatment.
Dory, L; Sloop, C H; Boquet, L M; Hamilton, R L; Roheim, P S
1983-01-01
Peripheral lymph high density lipoproteins (HDL) of the cholesterol-fed dog differ in a number of characteristics from plasma HDL of the same animal. Their high content of free cholesterol, phospholipid, apoprotein E, and apoprotein A-IV, their greater heterogeneity in size, and the presence of many discoidal particles suggest that a portion of lymph HDL is assembled within the interstitial fluid. The present experiments demonstrate that the endogenous lecithin:cholesterol acyltransferase (LC...
Solitons and ionospheric modification
Sheerin, J. P.; Nicholson, D. R.; Payne, G. L.; Hansen, P. J.; Weatherall, J. C.; Goldman, M. V.
1982-01-01
The possibility of Langmuir soliton formation and collapse during ionospheric modification is investigated. Parameters characterizing former facilities, existing facilities, and planned facilities are considered, using a combination of analytical and numerical techniques. At a spatial location corresponding to the exact classical reflection point of the modifier wave, the Langmuir wave evolution is found to be dominated by modulational instability followed by soliton formation and three-dimensional collapse. The earth's magnetic field is found to affect the shape of the collapsing soliton. These results provide an alternative explanation for some recent observations.
Foronda, F R; Lang, F; Möller, J S; Lancaster, T; Boothroyd, A T; Pratt, F L; Giblin, S R; Prabhakaran, D; Blundell, S J
2015-01-01
Although muon spin relaxation is commonly used to probe local magnetic order, spin freezing, and spin dynamics, we identify an experimental situation in which the measured response is dominated by an effect resulting from the muon-induced local distortion rather than the intrinsic behavior of the host compound. We demonstrate this effect in some quantum spin ice candidate materials Pr(2)B(2)O(7) (B=Sn, Zr, Hf), where we detect a static distribution of magnetic moments that appears to grow on cooling. Using density functional theory we show how this effect can be explained via a hyperfine enhancement arising from a splitting of the non-Kramers doublet ground states on Pr ions close to the muon, which itself causes a highly anisotropic distortion field. We provide a quantitative relationship between this effect and the measured temperature dependence of the muon relaxation and discuss the relevance of these observations to muon experiments in other magnetic materials. PMID:25615502
International Nuclear Information System (INIS)
For positive resists, the scission density profile versus irradiated depth is based on the development curve. If the value, G for scission yield is known, the profile of the effective energy absorbed in the depth can be calculated - and inversely. The effective energy is taken as the absorbed energy required to actually modify the polymer. In this paper, Charlesby's law, which links the particle dose to the average molecular weight, is used to analyse two cases taken from the litterature: electrons bombarded at 20 keV on PMMA and protons bombarded at 50 keV on PMMA. Charlesby's law proves to be a local law. When the absorbed energy remains constant along the irradiated depth, the law is assumed to yield the same molecular weight as that obtained from GPC analysis of the entire layer. Charlesby's relations is proved to be linear, but is not in agreement with the extrapolated zero-dose value
Bidirectional coherent classical communication
Harrow, Aram W.; Leung, Debbie W.
2005-01-01
A unitary interaction coupling two parties enables quantum or classical communication in both the forward and backward directions. Each communication capacity can be thought of as a tradeoff between the achievable rates of specific types of forward and backward communication. Our first result shows that for any bipartite unitary gate, bidirectional coherent classical communication is no more difficult than bidirectional classical communication — they have the same achievable rate regions. ...
Entanglement in Classical Optics
Ghose, Partha; Mukherjee, Anirban
2013-01-01
The emerging field of entanglement or nonseparability in classical optics is reviewed, and its similarities with and differences from quantum entanglement clearly pointed out through a recapitulation of Hilbert spaces in general, the special restrictions on Hilbert spaces imposed in quantum mechanics and the role of Hilbert spaces in classical polarization optics. The production of Bell-like states in classical polarization optics is discussed, and new theorems are proved to discriminate betw...
Classical, Semi-classical and Quantum Noise
Poor, H; Scully, Marlan
2012-01-01
David Middleton was a towering figure of 20th Century engineering and science and one of the founders of statistical communication theory. During the second World War, the young David Middleton, working with Van Fleck, devised the notion of the matched filter, which is the most basic method used for detecting signals in noise. Over the intervening six decades, the contributions of Middleton have become classics. This collection of essays by leading scientists, engineers and colleagues of David are in his honor and reflect the wide influence that he has had on many fields. Also included is the introduction by Middleton to his forthcoming book, which gives a wonderful view of the field of communication, its history and his own views on the field that he developed over the past 60 years. Focusing on classical noise modeling and applications, Classical, Semi-Classical and Quantum Noise includes coverage of statistical communication theory, non-stationary noise, molecular footprints, noise suppression, Quantum e...
Teleportation via classical entanglement
Rafsanjani, Seyed Mohammad Hashemi; Magaña-Loaiza, Omar S; Boyd, Robert W
2015-01-01
We present a classical counterpart to quantum teleportation that uses classical entanglement instead of quantum entanglement. In our implementation we take advantage of classical entanglement among three parties: orbital angular momentum (OAM), polarization, and the radial degrees of freedom of a beam of light. We demonstrate the teleportation of arbitrary OAM states, in the subspace spanned by any two OAM states, to the polarization of the same beam. Our letter presents the first classical demonstration of a commonly-perceived--quantum phenomenon that requires entanglement among more than two parties.
International Nuclear Information System (INIS)
An indium tin oxide (ITO) film with low carrier concentration (n), high mobility (μ) and high work function (ΦITO) is a beneficial material for the front electrode in heterojunction silicon (HJ) solar cells due to its low free-carrier absorption in the near-infrared wavelength and low Schottky barrier height at the ITO/emitter-layer front contact. This low free-carrier absorption as well as the low Schottky barrier height increase the open-circuit voltage (Voc) and the short-circuit current density (Jsc), which in turn increases the overall cell efficiency (η). Hence, ITO films with lower n, higher μ and higher ΦITO were prepared by controlling the density of the interstitial oxygen [Oi] in the films and used as anti-reflection electrodes in HJ solar cells. With increasing [Oi] in the ITO, the preferential orientation of the (222) crystalline plane became more dominant. The ΦITO and μ increased from 4.87 eV and 38.9 cm2 V−1 s−1 to 5.04 eV and 48.79 cm2 V−1 s−1, respectively, whereas n decreased from 4.7 × 1020 cm−3 to 2.8 × 1020 cm−3. We attribute these changes to the chemisorbed oxygen into the ITO films, while the decrease of n is due to the ability of interstitial oxygen to capture electron, and the increase of μ is due to the reduction in free-carrier scattering. These ITO films were used to fabricate HJ solar cells. As [Oi] in the ITO film increased, the device performance improved and the best cell performance was obtained with Voc of 714 mV, Jsc 34.79 mA/cm2 and η of 17.82%. By computer simulation, we found that the higher ΦITO and μ but lower n were responsible for the enhanced cell performance. The cell performance, however, deteriorated due to poor film properties when [Oi] exceeded concentration limit from 3.2 × 1020 cm−3. - Highlights: • The carrier concentration (n) decreases with increasing interstitial oxygen ([Oi]). • The Hall mobility (μ) and the work function (ΦITO) increases with increasing ([Oi]. • High μ and
Abu-Fanne, Rami; Maraga, Emad; Abd-Elrahman, Ihab; Hankin, Aviel; Blum, Galia; Abdeen, Suhair; Hijazi, Nuha; Cines, Douglas B; Higazi, Abd Al-Roof
2016-02-01
Approximately one-half of the patients who develop clinical atherosclerosis have normal or only modest elevations in plasma lipids, indicating that additional mechanisms contribute to pathogenesis. In view of increasing evidence that inflammation contributes to atherogenesis, we studied the effect of human neutrophil α-defensins on low density lipoprotein (LDL) trafficking, metabolism, vascular deposition, and atherogenesis using transgenic mice expressing human α-defensins in their polymorphonuclear leukocytes (Def(+/+)). Accelerated Def(+/+) mice developed α-defensin·LDL complexes that accelerate the clearance of LDL from the circulation accompanied by enhanced vascular deposition and retention of LDL, induction of endothelial cathepsins, increased endothelial permeability to LDL, and the development of lipid streaks in the aortic roots when fed a regular diet and at normal plasma levels of LDL. Transplantation of bone marrow from Def(+/+) to WT mice increased LDL clearance, increased vascular permeability, and increased vascular deposition of LDL, whereas transplantation of WT bone marrow to Def(+/+) mice prevented these outcomes. The same outcome was obtained by treating Def(+/+) mice with colchicine to inhibit the release of α-defensins. These studies identify a potential new link between inflammation and the development of atherosclerosis. PMID:26518877
International Nuclear Information System (INIS)
The dissertation is separated into two different parts, which will be presented in the following. Part I of the dissertation is about the commissioning and the modification of the ''low-temperature scanning polarization microscope'' which was designed in a previous dissertation of Stefan Guenon [1]. A scanning polarization microscope has certain advantages compared to conventional polarization microscopes. With a scanning polarization microscope it is easily possible to achieve a high illumination intensity, which is important to realize a high signal-to-noise ratio. Moreover, the confocal design of the scanning polarization microscope improves the resolution of the microscope by a factor of 1.4. Normally, it is not necessary to post-process the images by means of differential frame method to eliminate the contrast of non-magnetic origin. In contrast to conventional polarization microscopes the low-temperature scanning polarization microscope is able to image electronic transport properties via beam-induced voltage variation in addition to the magneto-optical effects. In this dissertation, it was possible to demonstrate the performance capability of the scanning polarization microscope at room temperature as well as at low temperatures. The investigation of the polar Kerr-effect has been carried out with a BaFe12O19-test sample whereas the measurements of the longitudinal Kerr-effect have been carried out with an in-plane magnetized acceleration sensor. Furthermore, an independent room temperature construction for out-of-plane measurements in a magnetic field up to 1 Tesla has been designed and implemented within the framework of a diploma thesis, supervised by the author of this dissertation. Using this construction, it was possible to gain experimental results regarding the interlayer exchange coupling between iron-terbium alloys (Fe1-xTbx) and cobalt-platinum multilayers (vertical stroke Co/Pt vertical stroke n). Indeed, it has been possible
Introduction to tomography, classical and quantum
International Nuclear Information System (INIS)
The tomographic approach to identify quantum states with fair probability distributions as alternatives to wave functions or density operators is reviewed. The tomographic-probability representation is shown also for classical states. The star-product formalism of quantizers and dequantizers associated with the tomographic picture of classical and quantum mechanics is presented and some kernels of star products are given in explicit forms. The inequalities for Shannon and Rényi entropies determined by tomographic-probability distributions are discussed.
Deduction of Lorentz Transformations from Classical Thermodynamics
Angela M. Ares de Parga; Fernado Angulo-Brown; Gonzalo Ares de Parga
2015-01-01
The Lorentz transformations are obtained by assuming that the laws of classical thermodynamics are invariant under changes of inertial reference frames. As Maxwell equations are used in order to deduce a wave equation that shows the constancy of the speed of light, by means of the laws of classical thermodynamics, the invariance of the Carnot cycle is deduced under reference frame changes. Starting with this result and the blackbody particle number density in a rest frame, the Lorentz transfo...
Deduction of Lorentz Transformations from Classical Thermodynamics
Directory of Open Access Journals (Sweden)
Angela M. Ares de Parga
2015-01-01
Full Text Available The Lorentz transformations are obtained by assuming that the laws of classical thermodynamics are invariant under changes of inertial reference frames. As Maxwell equations are used in order to deduce a wave equation that shows the constancy of the speed of light, by means of the laws of classical thermodynamics, the invariance of the Carnot cycle is deduced under reference frame changes. Starting with this result and the blackbody particle number density in a rest frame, the Lorentz transformations are obtained. A discussion about the universality of classical thermodynamics is given.
Fluctuations of wavefunctions about their classical average
International Nuclear Information System (INIS)
Quantum-classical correspondence for the average shape of eigenfunctions and the local spectral density of states are well-known facts. In this paper, the fluctuations of the quantum wavefunctions around the classical value are discussed. A simple random matrix model leads to a Gaussian distribution of the amplitudes whose width is determined by the classical shape of the eigenfunction. To compare this prediction with numerical calculations in chaotic models of coupled quartic oscillators, we develop a rescaling method for the components. The expectations are broadly confirmed, but deviations due to scars are observed. This effect is much reduced when both Hamiltonians have chaotic dynamics
Lectures on Classical Integrability
Torrielli, Alessandro
2016-01-01
We review some essential aspects of classically integrable systems. The detailed outline of the lectures 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 Schroedinger 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.
Grassmannians of classical buildings
Pankov, Mark
2010-01-01
Buildings are combinatorial constructions successfully exploited to study groups of various types. The vertex set of a building can be naturally decomposed into subsets called Grassmannians. The book contains both classical and more recent results on Grassmannians of buildings of classical types. It gives a modern interpretation of some classical results from the geometry of linear groups. The presented methods are applied to some geometric constructions non-related to buildings - Grassmannians of infinite-dimensional vector spaces and the sets of conjugate linear involutions. The book is self
Davidson and classical pragmatism
Directory of Open Access Journals (Sweden)
Paula Rossi
2007-06-01
Full Text Available In this paper I wish to trace some connections between Donald Davidson's work (1917-2003 and two major representatives of the classical pragmatist movement: Charles S. Peirce (1839-1914 and William James (1842-1910. I will start with a basic characterization of classical pragmatism; then, I shall examine certain conceptions in Peirce's and James' pragmatism, in order to establish affinities with Davidson´s thought. Finally, and bearing in mind the previous con-nections, I will reflect briefly on the relevance –often unrecognized- of classical pragmatist ideas in the context of contemporary philosophi-cal discussions.
Physics of classical electromagnetism
Fujimoto, Minoru
2007-01-01
The classical electromagnetism described by the Maxwell equations constitutes a fundamental law in contemporary physics. Even with the advent of sophisticated new materials, the principles of classical electromagnetism are still active in various applied areas in today’s advanced communication techniques. Physics of Classical Electromagnetism, by Minoru Fujimoto, is written with concise introductory arguments emphasizing the original field concept, with an aim at understanding objectives in modern information technology. Following basic discussions of electromagnetism with a modernized approach, this book will provide readers with an overview of current problems in high-frequency physics. To further the reader’s understanding of the concepts and applications discussed, each illustration within the book shows the location of all active charges, and the author has provided many worked-out examples throughout the book. Physics of Classical Electromagnetism is intended for students in physics and engineering ...
Quirk, R
1984-11-01
The specialised medical knowledge about dancers' injuries is negligible compared with that which surrounds sports medicine. The author discusses his experience in the management of more than 2000 injuries sustained by dancers of classical ballet. PMID:6151832
Classical and Quantum Intertwine
Blanchard, Ph.; Jadczyk, A.
1993-01-01
Model interactions between classical and quantum systems are briefly discussed. These include: general measurement-like couplings, Stern-Gerlach experiment, model of a counter, quantum Zeno effect, SQUID-tank model.
Horzela, Andrzej; Kapuscik, Edward
1993-01-01
An alternative picture of classical many body mechanics is proposed. In this picture particles possess individual kinematics but are deprived from individual dynamics. Dynamics exists only for the many particle system as a whole. The theory is complete and allows to determine the trajectories of each particle. It is proposed to use our picture as a classical prototype for a realistic theory of confined particles.
Davidson and classical pragmatism
Paula Rossi
2007-01-01
In this paper I wish to trace some connections between Donald Davidson's work (1917-2003) and two major representatives of the classical pragmatist movement: Charles S. Peirce (1839-1914) and William James (1842-1910). I will start with a basic characterization of classical pragmatism; then, I shall examine certain conceptions in Peirce's and James' pragmatism, in order to establish affinities with Davidson´s thought. Finally, and bearing in mind the previous con-nections, I will reflect brie...
Singh, Parampreet
2015-01-01
The problem of obtaining canonical Hamiltonian structures from the equations of motion is studied in the context of the spatially flat Friedmann-Robertson-Walker models. Modifications to Raychaudhuri equation are implemented independently as quadratic and cubic terms of energy density without introducing additional degrees of freedom. Depending on its sign, modifications make gravity repulsive above a curvature scale for matter satisfying strong energy condition, or more attractive than in the classical theory. Canonical structure of the modified theories is determined demanding that the total Hamiltonian be a linear combination of gravity and matter Hamiltonians. Both of the repulsive modifications are found to yield singularity avoidance. In the quadratic repulsive case, the modified canonical phase space of gravity is a polymerized phase space with canonical momentum as inverse trigonometric function of Hubble rate; the canonical Hamiltonian can be identified with the effective Hamiltonian in loop quantum ...
HOMOSEXUALITY : TREATMENT BY BEHAVIOUR MODIFICATION
Pradhan, P. V.; Ayyar, K.S.; Bagadia, V.N.
1982-01-01
SUMMARY We present here the treatment of thirteen homosexuals by behaviour modification techniques. With classical electrical aversion and positive conditioning 8(61%) out of thirteen patients showed a change in orientation lasting on a six-month 1 year follow up. A marriageable age and indirect social pressures were positively correlated with improvement whereas the presence of a steady homosexual partner and habitual passive anal intercourse indicated a poor response. The techniques, the as...
Quantum state smoothing for classical mixtures
Tan, D; Mølmer, K; Murch, K W
2016-01-01
In quantum mechanics, wave functions and density matrices represent our knowledge about a quantum system and give probabilities for the outcomes of measurements. If the combined dynamics and measurements on a system lead to a density matrix $\\rho(t)$ with only diagonal elements in a given basis $\\{|n\\rangle\\}$, it may be treated as a classical mixture, i.e., a system which randomly occupies the basis states $|n\\rangle$ with probabilities $\\rho_{nn}(t)$. Fully equivalent to so-called smoothing in classical probability theory, subsequent probing of the occupation of the states $|n\\rangle$ improves our ability to retrodict what was the outcome of a projective state measurement at time $t$. Here, we show with experiments on a superconducting qubit that the smoothed probabilities do not, in the same way as the diagonal elements of $\\rho$, permit a classical mixture interpretation of the state of the system at the past time $t$.
Jeans instability in classical and modified gravity
Arbuzova, E. V.; Dolgov, A. D.; L. Reverberi
2014-01-01
Gravitational instability in classical Jeans theory, General Relativity, and modified gravity is considered. The background density increase leads to a faster growth of perturbations in comparison with the standard theory. The transition to the Newtonian gauge in the case of coordinate dependent background metric functions is studied. For modified gravity a new high frequency stable solution is found.
Jeans instability in classical and modified gravity
Energy Technology Data Exchange (ETDEWEB)
Arbuzova, E.V., E-mail: arbuzova@uni-dubna.ru [Novosibirsk State University, Novosibirsk, 630090 (Russian Federation); Department of Higher Mathematics, University “Dubna”, 141980 Dubna (Russian Federation); Dolgov, A.D., E-mail: dolgov@fe.infn.it [Novosibirsk State University, Novosibirsk, 630090 (Russian Federation); ITEP, Bol. Cheremushkinsaya ul., 25, 113259 Moscow (Russian Federation); Dipartimento di Fisica e Scienze della Terra, Università degli Studi di Ferrara, Polo Scientifico e Tecnologico – Edificio C, Via Saragat 1, 44122 Ferrara (Italy); Reverberi, L., E-mail: reverberi@fe.infn.it [Dipartimento di Fisica e Scienze della Terra, Università degli Studi di Ferrara, Polo Scientifico e Tecnologico – Edificio C, Via Saragat 1, 44122 Ferrara (Italy); Istituto Nazionale di Fisica Nucleare (INFN), Sezione di Ferrara, Polo Scientifico e Tecnologico – Edificio C, Via Saragat 1, 44122 Ferrara (Italy)
2014-12-12
Gravitational instability in classical Jeans theory, General Relativity, and modified gravity is considered. The background density increase leads to a faster growth of perturbations in comparison with the standard theory. The transition to the Newtonian gauge in the case of coordinate dependent background metric functions is studied. For modified gravity a new high frequency stable solution is found.
Jeans instability in classical and modified gravity
Directory of Open Access Journals (Sweden)
E.V. Arbuzova
2014-12-01
Full Text Available Gravitational instability in classical Jeans theory, General Relativity, and modified gravity is considered. The background density increase leads to a faster growth of perturbations in comparison with the standard theory. The transition to the Newtonian gauge in the case of coordinate dependent background metric functions is studied. For modified gravity a new high frequency stable solution is found.
Classically-Controlled Quantum Computation
Perdrix, Simon; Jorrand, Philippe
2004-01-01
Quantum computations usually take place under the control of the classical world. We introduce a Classically-controlled Quantum Turing Machine (CQTM) which is a Turing Machine (TM) with a quantum tape for acting on quantum data, and a classical transition function for a formalized classical control. In CQTM, unitary transformations and measurements are allowed. We show that any classical TM is simulated by a CQTM without loss of efficiency. The gap between classical and quantum computations, ...
Learning Classical Music Club
2010-01-01
There is a new CERN Club called “Learning Classical Music at CERN”. We are aiming to give classical music lessons for different instruments (see link) for students from 5 to 100 years old. We are now ready to start our activities in the CERN barracks. We are now in the enrollment phase and hope to start lessons very soon ! Club info can be found in the list of CERN Club: http://user.web.cern.ch/user/Communication/SocialLifeActivities/Clubs/Clubs.html Salvatore Buontempo Club President
Dzhunushaliev, V D
1997-01-01
The spherically symmetric solution in classical SU(3) Yang - Mills theory is found. It is supposed that such solution describes a classical quark. It is regular in origin and hence the interaction between two quarks is small on the small distance. The obtained solution has the singularity on infinity. It is possible that is the reason why the free quark cannot exist. Evidently, nonlocality of this object leads to the fact that in quantum chromodynamic the difficulties arise connected with investigation of quarks interaction on large distance.
Brehm, Enrico M
2016-01-01
In this work, we introduce classical holographic codes. These can be understood as concatenated probabilistic codes and can be represented as networks uniformly covering hyperbolic space. In particular, classical holographic codes can be interpreted as maps from bulk degrees of freedom to boundary degrees of freedom. Interestingly, they are shown to exhibit features similar to those expected from the AdS/CFT correspondence. Among these are a version of the Ryu-Takayanagi formula and intriguing properties regarding bulk reconstruction and boundary representations of bulk operations. We discuss the relation of our findings with expectations from AdS/CFT and, in particular, with recent results from quantum error correction.
Classical mechanics with Maxima
Timberlake, Todd Keene
2016-01-01
This book guides undergraduate students in the use of Maxima—a computer algebra system—in solving problems in classical mechanics. It functions well as a supplement to a typical classical mechanics textbook. When it comes to problems that are too difficult to solve by hand, computer algebra systems that can perform symbolic mathematical manipulations are a valuable tool. Maxima is particularly attractive in that it is open-source, multiple-platform software that students can download and install free of charge. Lessons learned and capabilities developed using Maxima are easily transferred to other, proprietary software.
Elementary classical hydrodynamics
Chirgwin, B H; Langford, W J; Maxwell, E A; Plumpton, C
1967-01-01
Elementary Classical Hydrodynamics deals with the fundamental principles of elementary classical hydrodynamics, with emphasis on the mechanics of inviscid fluids. Topics covered by this book include direct use of the equations of hydrodynamics, potential flows, two-dimensional fluid motion, waves in liquids, and compressible flows. Some general theorems such as Bernoulli's equation are also considered. This book is comprised of six chapters and begins by introducing the reader to the fundamental principles of fluid hydrodynamics, with emphasis on ways of studying the motion of a fluid. Basic c
Classic Problems of Probability
Gorroochurn, Prakash
2012-01-01
"A great book, one that I will certainly add to my personal library."—Paul J. Nahin, Professor Emeritus of Electrical Engineering, University of New Hampshire Classic Problems of Probability presents a lively account of the most intriguing aspects of statistics. The book features a large collection of more than thirty classic probability problems which have been carefully selected for their interesting history, the way they have shaped the field, and their counterintuitive nature. From Cardano's 1564 Games of Chance to Jacob Bernoulli's 1713 Golden Theorem to Parrondo's 1996 Perplexin
International Nuclear Information System (INIS)
The classical nova outburst occurs on the white dwarf component in a close binary system. Nova systems are members of the general class of cataclysmic variables and other members of the class are the Dwarf Novae, AM Her variables, Intermediate Polars, Recurrent Novae, and some of the Symbiotic variables. Although multiwavelength observations have already provided important information about all of these systems, in this review I will concentrate on the outbursts of the classical and recurrent novae and refer to other members of the class only when necessary. 140 refs., 1 tab
Singh, Parampreet; Soni, S. K.
2016-06-01
The problem of obtaining canonical Hamiltonian structures from the equations of motion, without any knowledge of the action, is studied in the context of the spatially flat Friedmann, ‘Robertson’, and Walker models. Modifications to the Raychaudhuri equation are implemented independently as quadratic and cubic terms of energy density without introducing additional degrees of freedom. Depending on their sign, modifications make gravity repulsive above a curvature scale for matter satisfying strong energy conditions, or more attractive than in the classical theory. The canonical structure of the modified theories is determined by demanding that the total Hamiltonian be a linear combination of gravity and matter Hamiltonians. In the quadratic repulsive case, the modified canonical phase space of gravity is a polymerized phase space with canonical momentum as inverse a trigonometric function of the Hubble rate; the canonical Hamiltonian can be identified with the effective Hamiltonian in loop quantum cosmology. The repulsive cubic modification results in a ‘generalized polymerized’ canonical phase space. Both the repulsive modifications are found to yield singularity avoidance. In contrast, the quadratic and cubic attractive modifications result in a canonical phase space in which canonical momentum is nontrigonometric and singularities persist. Our results hint at connections between the repulsive/attractive nature of modifications to gravity arising from the gravitational sector and polymerized/non polymerized gravitational phase space.
Analysing a complementarity experiment on the quantum-classical boundary
Cunha, M. O. Terra; Nemes, M. C.
2002-01-01
The complementarity experiment reported in Bertet [{\\it{et al.}} (2001), {\\it{Nature}} {\\bf{411}}, 166.] is discussed. The role played by entanglement in reaching the classical limit is pointed out. Dissipative and thermal effects of the cavity are calculated and a simple modification of the experiment is proposed in order to observe the progressive loss of the capacity of ``quantum erasing''as a manifestation of the classical limit of quantum mechanics.
Analysing a complementarity experiment on the quantum-classical boundary
International Nuclear Information System (INIS)
The complementarity experiment reported in [Bertet et al., Nature 411 (2001) 166] is discussed. The role played by entanglement in reaching the classical limit is pointed out. Dissipative and thermal effects of the cavity are calculated and a simple modification of the experiment is proposed in order to observe the progressive loss of the capacity of 'quantum erasing' as a manifestation of the classical limit of quantum mechanics
Frank, Irmgard
2016-01-01
The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\\"o}dinger equation is substantiated. In principle a single experiment should bring clarity. Caution is however necessary, as temperature dependent effects must be eliminated when trying to determine the existence of a zero-point energy.
Strong Coupling and Classicalization
Dvali, Gia
2016-01-01
Classicalization is a phenomenon in which a theory prevents itself from entering into a strong-coupling regime, by redistributing the energy among many weakly-interacting soft quanta. In this way, the scattering process of some initial hard quanta splits into a large number of soft elementary processes. In short, the theory trades the strong coupling for a high-multiplicity of quanta. At very high energies, the outcome of such a scattering experiment is a production of soft states of high occupation number that are approximately classical. It is evident that black hole creation in particle collision at super-Planckian energies is a result of classicalization, but there is no a priory reason why this phenomenon must be limited to gravity. If the hierarchy problem is solved by classicalization, the LHC has a chance of detecting a tower of new resonances. The lowest-lying resonances must appear right at the strong coupling scale in form of short-lived elementary particles. The heavier members of the tower must b...
Czech Academy of Sciences Publication Activity Database
Axelsson, Owe
1. Berlin, Heidelberg: Springer-Verlag, 2013 - (Björm, E.), s. 205-224 ISBN 978-3-540-70528-4 Institutional support: RVO:68145535 Keywords : classical iterative methods * applied computational mathematics * encyclopedia Subject RIV: BA - General Mathematics http://www.springerreference.com/docs/ navigation .do?m=Encyclopedia+of+Applied+and+Computational+Mathematics+%28Mathematics+and+Statistics%29-book224
Classical and quantum satisfiability
de Araújo, Anderson; 10.4204/EPTCS.81.6
2012-01-01
We present the linear algebraic definition of QSAT and propose a direct logical characterization of such a definition. We then prove that this logical version of QSAT is not an extension of classical satisfiability problem (SAT). This shows that QSAT does not allow a direct comparison between the complexity classes NP and QMA, for which SAT and QSAT are respectively complete.
Why Study Classical Languages?
Lieberman, Samuel
This speech emphasizes the significance of living literatures and living cultures which owe a direct debt to the Romans and the Greeks from whom they can trace their origins. After commenting on typical rejoinders to the question "Why study classical languages?" and poking fun at those who advance jaded, esoteric responses, the author dispels the…
Camic, Charles
2008-01-01
They seem the perfect bookends for the social psychologist's collection of "classics" of the field. Two volumes, nearly identical in shape and weight and exactly a century old in 2008--each professing to usher "social psychology" into the world as they both place the hybrid expression square in their titles but then proceed to stake out the field…
Mecanica Clasica (Classical Mechanics)
Rosu, H. C.
1999-01-01
First Internet graduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031
Classical galactosaemia revisited
A.M. Bosch
2006-01-01
Classical galactosaemia (McKusick 230400) is an: autosomal recessive disorder of galactose metabolism, caused by a deficiency of the enzyme galactose-1-phosphate uridyltransferase (GALT; EC 2.7.712). Most patients present in the neonatal period, after ingestion of galactose, with jaundice, hepatospl
Classical Mythology. Fourth Edition.
Morford, Mark P. O.; Lenardon, Robert J.
Designed for students with little or no background in classical literature, this book introduces the Greek and Roman myths of creation, myths of the gods, Greek sagas and local legends, and presents contemporary theories about the myths. Drawing on Homer, Hesiod, Pindar, Vergil, and others, the book provides many translations and paraphrases of…
Huddleston, Gregory H.
1993-01-01
Describes one teacher's methods for introducing to secondary English students the concepts of Classicism and Romanticism in relation to pictures of gardens, architecture, music, and literary works. Outlines how the unit leads to a writing assignment based on collected responses over time. (HB)
Mecanica Clasica (Classical Mechanics)
Rosu, H C
1999-01-01
First Internet undergraduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031
Classical electromagnetic radiation
Heald, Mark A
2012-01-01
Newly corrected, this highly acclaimed text is suitable for advanced physics courses. The author presents a very accessible macroscopic view of classical electromagnetics that emphasizes integrating electromagnetic theory with physical optics. The survey follows the historical development of physics, culminating in the use of four-vector relativity to fully integrate electricity with magnetism.
Nelson, Norman N.; Fisch, Forest N.
1973-01-01
Discussed are techniques of presentation and solution of the Classical Cake Problem. A frosted cake with a square base is to be cut into n pieces with the volume of cake and frosting the same for each piece. Needed are minimal geometric concepts and the formula for the volume of a prism. (JP)
Bohmian mechanics and the emergence of classicality
International Nuclear Information System (INIS)
Bohmian mechanics is endowed with an ontological package that supposedly allows to solve the main interpretational problems of quantum mechanics. We are concerned in this work by the emergence of classicality from the quantum mechanical substrate. We will argue that although being superficially attractive, the de Broglie-Bohm interpretation does not shed new light on the quantum-to-classical transition. This is due to nature of the dynamical law of Bohmian mechanics by which the particles follow the streamlines of the probability flow. As a consequence, Bohmian trajectories can be highly non-classical even when the wavefunction propagates along classical trajectories, as happens in semiclassical systems. In order to account for classical dynamics, Bohmian mechanics needs non-spreading and non-interfering wave packets: this is achieved for practical purposes by having recourse to decoherence and dense measurements. However one then faces the usual fundamental problems associated with the meaning of reduced density matrices. Moreover the specific assets of the de Broglie-Bohm interpretation - in particular the existence of point-like particles pursuing well-defined trajectories - would play no role in accounting for the emergence of classical dynamics.
Bohmian mechanics and the emergence of classicality
Matzkin, A.
2009-06-01
Bohmian mechanics is endowed with an ontological package that supposedly allows to solve the main interpretational problems of quantum mechanics. We are concerned in this work by the emergence of classicality from the quantum mechanical substrate. We will argue that although being superficially attractive, the de Broglie-Bohm interpretation does not shed new light on the quantum-to-classical transition. This is due to nature of the dynamical law of Bohmian mechanics by which the particles follow the streamlines of the probability flow. As a consequence, Bohmian trajectories can be highly non-classical even when the wavefunction propagates along classical trajectories, as happens in semiclassical systems. In order to account for classical dynamics, Bohmian mechanics needs non-spreading and non-interfering wave packets: this is achieved for practical purposes by having recourse to decoherence and dense measurements. However one then faces the usual fundamental problems associated with the meaning of reduced density matrices. Moreover the specific assets of the de Broglie-Bohm interpretation - in particular the existence of point-like particles pursuing well-defined trajectories - would play no role in accounting for the emergence of classical dynamics.
Quantum emulation of classical dynamics
Margolus, Norman
2011-01-01
In statistical mechanics, it is well known that finite-state classical lattice models can be recast as quantum models, with distinct classical configurations identified with orthogonal basis states. This mapping makes classical statistical mechanics on a lattice a special case of quantum statistical mechanics, and classical combinatorial entropy a special case of quantum entropy. In a similar manner, finite-state classical dynamics can be recast as finite-energy quantum dynamics. This mapping...
Randomness: quantum versus classical
Khrennikov, Andrei
2015-01-01
Recent tremendous development of quantum information theory led to a number of quantum technological projects, e.g., quantum random generators. This development stimulates a new wave of interest in quantum foundations. One of the most intriguing problems of quantum foundations is elaboration of a consistent and commonly accepted interpretation of quantum state. Closely related problem is clarification of the notion of quantum randomness and its interrelation with classical randomness. In this short review we shall discuss basics of classical theory of randomness (which by itself is very complex and characterized by diversity of approaches) and compare it with irreducible quantum randomness. The second part of this review is devoted to the information interpretation of quantum mechanics (QM) in the spirit of Zeilinger and Brukner (and QBism of Fuchs et al.) and physics in general (e.g., Wheeler's "it from bit") as well as digital philosophy of Chaitin (with historical coupling to ideas of Leibnitz). Finally, w...
Classical and statistical thermodynamics
Rizk, Hanna A
2016-01-01
This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.
Computation in Classical Mechanics
Timberlake, Todd
2007-01-01
There is a growing consensus that physics majors need to learn computational skills, but many departments are still devoid of computation in their physics curriculum. Some departments may lack the resources or commitment to create a dedicated course or program in computational physics. One way around this difficulty is to include computation in a standard upper-level physics course. An intermediate classical mechanics course is particularly well suited for including computation. We discuss the ways we have used computation in our classical mechanics courses, focusing on how computational work can improve students' understanding of physics as well as their computational skills. We present examples of computational problems that serve these two purposes. In addition, we provide information about resources for instructors who would like to include computation in their courses.
International Nuclear Information System (INIS)
Exchange of data and algorithms among accelerator physics programs is difficult because of unnecessary differences in input formats and internal data structures. To alleviate these problems a C++ class library called CLASSIC (Class Library for Accelerator System Simulation and Control) is being developed with the goal to provide standard building blocks for computer programs used in accelerator design. It includes modules for building accelerator lattice structures in computer memory using a standard input language, a graphical user interface, or a programmed algorithm. It also provides simulation algorithms. These can easily be replaced by modules which communicate with the control system of the accelerator. Exchange of both data and algorithm between different programs using the CLASSIC library should present no difficulty
Directory of Open Access Journals (Sweden)
Adriana Coutinho de Azevedo Guimarães
2008-06-01
Full Text Available This study aimed to elucidate what injuries are most likely to occur due to classical ballet practice. The research used national and international bibliography. The bibliography analysis indicated that technical and esthetical demands lead to a practice of non-anatomical movements, causing the ballet dancer to suffer from a number of associated lesions. Most of the injuries are caused by technical mistakes and wrong training. Troubles in children are usually due to trying to force external rotation at hip level and to undue use of point ballet slippers. The commonest lesions are in feet and ankles, followed by knees and hips. The rarest ones are in the upper limbs. These injuries are caused by exercise excess, by repetitions always in the same side and by wrong and early use of point slippers. The study reached the conclusion that incorrect application of classical ballet technique predisposes the dancers to characteristic injuries.
Classical Diophantine equations
1993-01-01
The author had initiated a revision and translation of "Classical Diophantine Equations" prior to his death. Given the rapid advances in transcendence theory and diophantine approximation over recent years, one might fear that the present work, originally published in Russian in 1982, is mostly superseded. That is not so. A certain amount of updating had been prepared by the author himself before his untimely death. Some further revision was prepared by close colleagues. The first seven chapters provide a detailed, virtually exhaustive, discussion of the theory of lower bounds for linear forms in the logarithms of algebraic numbers and its applications to obtaining upper bounds for solutions to the eponymous classical diophantine equations. The detail may seem stark--- the author fears that the reader may react much as does the tourist on first seeing the centre Pompidou; notwithstanding that, Sprind zuk maintainsa pleasant and chatty approach, full of wise and interesting remarks. His emphases well warrant, ...
Are superparamagnetic spins classical?
Garanin, D. A.
2008-01-01
Effective giant spins of magnetic nanoparticles are considered classically in the conventional theory of superparamagnetism based on the Landau-Lifshitz-Langevin equation. However, microscopic calculations for a large spin with uniaxial anisotropy, coupled to the lattice via the simplest generic mechanism, show that the results of the conventional theory are not reproduced in the limit S ->\\infty. In particular, the prefactor Gamma_0 in the Arrhenius escape rate over the barrier Gamma =Gamma_...
Adriana Coutinho de Azevedo Guimarães; Joseani Paulini Neves Simas
2008-01-01
This study aimed to elucidate what injuries are most likely to occur due to classical ballet practice. The research used national and international bibliography. The bibliography analysis indicated that technical and esthetical demands lead to a practice of non-anatomical movements, causing the ballet dancer to suffer from a number of associated lesions. Most of the injuries are caused by technical mistakes and wrong training. Troubles in children are usually due to trying to force external ...
Institute of Scientific and Technical Information of China (English)
WANG HAIRONG
2010-01-01
@@ North Korea's Phibada Opera Troupe arrived in Beijing on May3,bringing with it a Korean opera adapted from China's classic novel A Dream of Red Mansions written by Cao Xueqin(around 1715-63),a great novelist of the Qing Dynasty(1644-1911).The troupe,invited by the Chinese Ministry of Culture,is one of the largest performing groups having visited China in recent years.
Computation in Classical Mechanics
Timberlake, Todd; Hasbun, Javier E.
2007-01-01
There is a growing consensus that physics majors need to learn computational skills, but many departments are still devoid of computation in their physics curriculum. Some departments may lack the resources or commitment to create a dedicated course or program in computational physics. One way around this difficulty is to include computation in a standard upper-level physics course. An intermediate classical mechanics course is particularly well suited for including computation. We discuss th...
Sociology and Classical Liberalism
KLEIN, Daniel; Stern, Lotta
2005-01-01
We advocate the development of a classical-liberal character within professional sociology. The American Sociological Association (ASA) is taken as representative of professional sociology in the United States. We review the ASA’s activities and organizational statements, to show the association’s leftist character. Internal criticism is often very uneasy about leftist domination of the field. We present survey results establishing that, in voting and in policy views, the ASA membership is mo...
Rogers, Ibram
2008-01-01
As a 26-year-old English teacher in 1958, Chinua Achebe had no idea that the book he was writing would become a literary classic, not only in Africa but also throughout the world. He could only try to articulate the feelings he had for his countrymen and women. Achebe had a burning desire to tell the true story of Africa and African humanity. The…
Strong, John
2004-01-01
An intermediate course in optics, this volume explores both experimental and theoretical concepts, offering practical knowledge of geometrical optics that will enhance students' comprehension of any relevant applied science. Its exposition of the concepts of classical optics is presented with a minimum of mathematical detail but presumes some knowledge of calculus, vectors, and complex numbers.Subjects include light as wave motion; superposition of wave motions; electromagnetic waves; interaction of light and matter; velocities and scattering of light; polarized light and dielectric boundarie
Diffusion of Classical Solitons
Dziarmaga, J.; Zakrzewski, W.
1998-01-01
We study the diffusion and deformation of classical solitons coupled to thermal noise. The diffusion coefficient for kinks in the $\\phi^4$ theory is predicted up to the second order in $kT$. The prediction is verified by numerical simulations. Multiskyrmions in the vector O(3) sigma model are studied within the same formalism. Thermal noise results in a diffusion on the multisoliton collective coordinate space (moduli space). There are entropic forces which tend, for example, to bind pairs of...
The Classical Version of Stokes' Theorem Revisited
DEFF Research Database (Denmark)
Markvorsen, Steen
2005-01-01
of the vector field in a tubular shell around the given surface. The intuitive appeal of the divergence theorem is thus applied to bootstrap a corresponding intuition for Stokes' theorem. The two stated classical theorems are (like the fundamental theorem of calculus) nothing but shadows of the......Using only fairly simple and elementary considerations - essentially from first year undergraduate mathematics - we prove that the classical Stokes' theorem for any given surface and vector field in $\\mathbb{R}^{3}$ follows from an application of Gauss' divergence theorem to a suitable modification...... general version of Stokes' theorem for differential forms on manifolds. The main points in the present paper, however, is firstly that this latter fact usually does not get within reach for students in first year calculus courses and secondly that calculus textbooks in general only just hint at the...
Waters, C Kenneth
2004-12-01
I present an account of classical genetics to challenge theory-biased approaches in the philosophy of science. Philosophers typically assume that scientific knowledge is ultimately structured by explanatory reasoning and that research programs in well-established sciences are organized around efforts to fill out a central theory and extend its explanatory range. In the case of classical genetics, philosophers assume that the knowledge was structured by T. H. Morgan's theory of transmission and that research throughout the later 1920s, 30s, and 40s was organized around efforts to further validate, develop, and extend this theory, I show that classical genetics was structured by an integration of explanatory reasoning (associated with the transmission theory) and investigative strategies (such as the 'genetic approach'). The investigative strategies, which have been overlooked in historical and philosophical accounts, were as important as the so-called laws of Mendelian genetics. By the later 1920s, geneticists of the Morgan school were no longer organizing research around the goal of explaining inheritance patterns; rather, they were using genetics to investigate a range of biological phenomena that extended well beyond the explanatory domain of transmission theories. Theory-biased approaches in history and philosophy of science fail to reveal the overall structure of scientific knowledge and obscure the way it functions. PMID:15682554
Carnevale, V.; Raugei, S.
2009-12-01
Lysine acetylation is a post-translational modification, which modulates the affinity of protein-protein and/or protein-DNA complexes. Its crucial role as a switch in signaling pathways highlights the relevance of charged chemical groups in determining the interactions between water and biomolecules. A great effort has been recently devoted to assess the reliability of classical molecular dynamics simulations in describing the solvation properties of charged moieties. In the spirit of these investigations, we performed classical and Car-Parrinello molecular dynamics simulations on lysine and acetylated-lysine in aqueous solution. A comparative analysis between the two computational schemes is presented with a focus on the first solvation shell of the charged groups. An accurate structural analysis unveils subtle, yet statistically significant, differences which are discussed in connection to the significant electronic density charge transfer occurring between the solute and the surrounding water molecules.
International Nuclear Information System (INIS)
Lysine acetylation is a post-translational modification, which modulates the affinity of protein-protein and/or protein-DNA complexes. Its crucial role as a switch in signaling pathways highlights the relevance of charged chemical groups in determining the interactions between water and biomolecules. A great effort has been recently devoted to assess the reliability of classical molecular dynamics simulations in describing the solvation properties of charged moieties. In the spirit of these investigations, we performed classical and Car-Parrinello molecular dynamics simulations on lysine and acetylated-lysine in aqueous solution. A comparative analysis between the two computational schemes is presented with a focus on the first solvation shell of the charged groups. An accurate structural analysis unveils subtle, yet statistically significant, differences which are discussed in connection to the significant electronic density charge transfer occurring between the solute and the surrounding water molecules.
Classical Simulated Annealing Using Quantum Analogues
La Cour, Brian R.; Troupe, James E.; Mark, Hans M.
2016-06-01
In this paper we consider the use of certain classical analogues to quantum tunneling behavior to improve the performance of simulated annealing on a discrete spin system of the general Ising form. Specifically, we consider the use of multiple simultaneous spin flips at each annealing step as an analogue to quantum spin coherence as well as modifications of the Boltzmann acceptance probability to mimic quantum tunneling. We find that the use of multiple spin flips can indeed be advantageous under certain annealing schedules, but only for long anneal times.
Classical Simulated Annealing Using Quantum Analogues
La Cour, Brian R.; Troupe, James E.; Mark, Hans M.
2016-08-01
In this paper we consider the use of certain classical analogues to quantum tunneling behavior to improve the performance of simulated annealing on a discrete spin system of the general Ising form. Specifically, we consider the use of multiple simultaneous spin flips at each annealing step as an analogue to quantum spin coherence as well as modifications of the Boltzmann acceptance probability to mimic quantum tunneling. We find that the use of multiple spin flips can indeed be advantageous under certain annealing schedules, but only for long anneal times.
Emerging roles of RNA modifications in bacteria.
Marbaniang, Carmelita Nora; Vogel, Jörg
2016-04-01
RNA modifications are known to abound in stable tRNA and rRNA, where they cluster around functionally important regions. However, RNA-seq based techniques profiling entire transcriptomes are now uncovering an abundance of modified ribonucleotides in mRNAs and noncoding RNAs, too. While most of the recent progress in understanding the regulatory influence of these new RNA modifications stems from eukaryotes, there is growing evidence in bacteria for modified nucleotides beyond the stable RNA species, including modifications of small regulatory RNAs. Given their small genome size, good genetic tractability, and ample knowledge of modification enzymes, bacteria offer excellent model systems to decipher cellular functions of RNA modifications in many diverse physiological contexts. This review highlights how new global approaches combining classic analysis with new sequencing techniques may usher in an era of bacterial epitranscriptomics. PMID:26803287
Fisher Information of Wavefunctions: Classical and Quantum
Institute of Scientific and Technical Information of China (English)
LUO Shun-Long
2006-01-01
A parametric quantum mechanical wavefunction naturally induces parametric probability distributions by taking absolute square, and we can consider its classical Fisher information. On the other hand, it also induces parametric rank-one projections which may be viewed as density operators, and we can talk about its quantum Fisher information. Among many versions of quantum Fisher information, there are two prominent ones. The first,deiined via a quantum score function, was introduced by Helstrom in 1967 and is well known. The second,defined via the square root of the density operator, has its origin in the skew information introduced by Wigner and Yanase in 1963 and remains relatively unnoticed. This study is devoted to investigating the relationships between the classical Fisher information and these two versions of quantum Fisher information for wavefunctions.It is shown that the two versions of quantum Fisher information differ by a factor 2 and that they dominate the classical Fisher information. The non-coincidence of these two versions of quantum Fisher information may be interpreted as a manifestation of quantum discord. We further calculate the difference between the Helstrom quantum Fisher information and the classical Fisher information, and show that it is precisely the instantaneous phase fluctuation of the wavefunctions.
Directory of Open Access Journals (Sweden)
Laurent Chusseau
2013-02-01
Full Text Available We show that the thermodynamics of ideal gases may be derived solely from the Democritean concept of corpuscles moving in vacuum plus a principle of simplicity, namely that these laws are independent of the laws of motion, aside from the law of energy conservation. Only a single corpuscle in contact with a heat bath submitted to a z and t-invariant force is considered. Most of the end results are known but the method appears to be novel. The mathematics being elementary, the present paper should facilitate the understanding of the ideal gas law and of classical thermodynamics even though not-usually-taught concepts are being introduced.
Mechanics classical and quantum
Taylor, T T
2015-01-01
Mechanics: Classical and Quantum explains the principles of quantum mechanics via the medium of analytical mechanics. The book describes Schrodinger's formulation, the Hamilton-Jacobi equation, and the Lagrangian formulation. The author discusses the Harmonic Oscillator, the generalized coordinates, velocities, as well as the application of the Lagrangian formulation to systems that are partially or entirely electromagnetic in character under certain conditions. The book examines waves on a string under tension, the isothermal cavity radiation, and the Rayleigh-Jeans result pertaining to the e
Institute of Scientific and Technical Information of China (English)
2002-01-01
FIVE years ago, an ancient Chinese air was beamed to outer space as a PR exercise. To humankind, music is a universal language, so the tune seemed an ideal medium for communication with extraterrestrial intelligence. So far there has been no response, but it is believed that the tune will play for a billion years, and eventually be heard and understood. The melody is called High Mountain and Flowing Stream, and it is played on the guqin, a seven-stringed classical musical instrument similar to the zither.
Numerical calculation of classical and non-classical electrostatic potentials
Christensen, D; Neyenhuis, B; Christensen, Dan; Durfee, Dallin S.; Neyenhuis, Brian
2006-01-01
We present a numerical exercise in which classical and non-classical electrostatic potentials were calculated. The non-classical fields take into account effects due to a possible non-zero photon rest mass. We show that in the limit of small photon rest mass, both the classical and non-classical potential can be found by solving Poisson's equation twice, using the first calculation as a source term in the second calculation. Our results support the assumptions in a recent proposal to use ion interferometry to search for a non-zero photon rest mass.
Fano Interference in Classical Oscillators
Satpathy, S.; Roy, A.; Mohapatra, A.
2012-01-01
We seek to illustrate Fano interference in a classical coupled oscillator by using classical analogues of the atom-laser interaction. We present an analogy between the dressed state picture of coherent atom-laser interaction and a classical coupled oscillator. The Autler-Townes splitting due to the atom-laser interaction is analogous to the…
Classical Helium Atom with Radiation Reaction
Camelio, G; Galgani, L
2011-01-01
We study a classical model of Helium atom in which, in addition to the Coulomb forces, the radiation reaction forces are taken into account. This modification brings in the model a new qualitative feature of a global character. Indeed, as pointed out by Dirac, in any model of classical electrodynamics of point particles involving radiation reaction one has to eliminate, from the a priori conceivable solutions of the problem, those corresponding to the emission of an infinite amount of energy. We show that the Dirac prescription solves a problem of inconsistency plaguing all available models which neglect radiation reaction, namely, the fact that in all such models most initial data lead to a spontaneous breakdown of the atom. A further modification is that the system thus acquires a peculiar form of dissipation. In particular, this makes attractive an invariant manifold of special physical interest, the zero--dipole manifold, that corresponds to motions in which no energy is radiated away (in the dipole appro...
Classical Stability of Black D3-branes
Kang, G; Kang, Gungwon; Lee, Jungjai
2004-01-01
We have investigated the classical stability of charged black $D3$-branes in type IIB supergravity under small perturbations. For s-wave perturbations it turns out that black $D3$-branes are unstable when they have small charge density. As the charge density increases for given mass density, however, the instability decreases down to zero at a certain finite value of the charge density, and then black $D3$-branes become stable all the way down to the extremal point. It has also been shown that such critical value at which its stability behavior changes agrees very well with the predicted one by the thermodynamic stability behavior of the corresponding black hole system through the Gubser-Mitra conjecture. Unstable mode solutions we found involve non-vanishing fluctuations of the self-dual five-form field strength. Some implications of our results are also discussed.
Mechanical Systems, Classical Models
Teodorescu, Petre P
2009-01-01
This third volume completes the Work Mechanical Systems, Classical Models. The first two volumes dealt with particle dynamics and with discrete and continuous mechanical systems. The present volume studies analytical mechanics. Topics like Lagrangian and Hamiltonian mechanics, the Hamilton-Jacobi method, and a study of systems with separate variables are thoroughly discussed. Also included are variational principles and canonical transformations, integral invariants and exterior differential calculus, and particular attention is given to non-holonomic mechanical systems. The author explains in detail all important aspects of the science of mechanics, regarded as a natural science, and shows how they are useful in understanding important natural phenomena and solving problems of interest in applied and engineering sciences. Professor Teodorescu has spent more than fifty years as a Professor of Mechanics at the University of Bucharest and this book relies on the extensive literature on the subject as well as th...
Grassmannization of classical models
Pollet, Lode; Prokof'ev, Nikolay V; Svistunov, Boris V
2016-01-01
Applying Feynman diagrammatics to non-fermionic strongly correlated models with local constraints might seem generically impossible for two separate reasons: (i) the necessity to have a Gaussian (non-interacting) limit on top of which the perturbative diagrammatic expansion is generated by Wick's theorem, and (ii) the Dyson's collapse argument implying that the expansion in powers of coupling constant is divergent. We show that for arbitrary classical lattice models both problems can be solved/circumvented by reformulating the high-temperature expansion (more generally, any discrete representation of the model) in terms of Grassmann integrals. Discrete variables residing on either links, plaquettes, or sites of the lattice are associated with the Grassmann variables in such a way that the partition function (and correlations) of the original system and its Grassmann-field counterpart are identical. The expansion of the latter around its Gaussian point generates Feynman diagrams. A proof-of-principle implement...
Directory of Open Access Journals (Sweden)
Maryann Wilson
2013-01-01
Full Text Available BACKGROUND: The impact of a scientific article is proportional to the citations it has received. In this study, we set out to identify the most cited works in epileptology in order to evaluate research trends in this field. METHODS: According to the Web of Science database, articles with more than 400 citations qualify as "citation classics". We conducted a literature search on the ISI Web of Science bibliometric database for scientific articles relevant to epilepsy. RESULTS: We retrieved 67 highly cited articles (400 or more citations, which were published in 31 journals: 17 clinical studies, 42 laboratory studies, 5 reviews and 3 classification articles. Clinical studies consisted of epidemiological analyses (n=3, studies on the clinical phenomenology of epilepsy (n=5 – including behavioral and prognostic aspects – and articles focusing on pharmacological (n=6 and non-pharmacological (n=3 treatment. The laboratory studies dealt with genetics (n=6, animal models (n=27, and neurobiology (n=9 – including both neurophysiology and neuropathology studies. The majority (61% of citation classics on epilepsy were published after 1986, possibly reflecting the expansion of research interest in laboratory studies driven by the development of new methodologies, specifically in the fields of genetics and animal models. Consequently, clinical studies were highly cited both before and after the mid 80s, whilst laboratory researches became widely cited after 1990. CONCLUSIONS: Our study indicates that the main drivers of scientific impact in the field of epileptology have increasingly become genetic and neurobiological studies, along with research on animal models of epilepsy. These articles are able to gain the highest numbers of citations in the time span of a few years and suggest potential directions for future research.
Readers of histone modifications
Institute of Scientific and Technical Information of China (English)
Miyong Yun; Jun Wu; Jerry L Workman; Bing Li
2011-01-01
Histone modifications not only play important roles in regulating chromatin structure and nuclear processes but also can be passed to daughter cells as epigenetic marks.Accumulating evidence suggests that the key function of histone modifications is to signal for recruitment or activity of downstream effectors. Here, we discuss the latest discovery of histone-modification readers and how the modification language is interpreted.
Pederson, Mark R
2015-02-14
A recent modification of the Perdew-Zunger self-interaction-correction to the density-functional formalism has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Löwdin orthonormalized Fermi-orbitals which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested, here, on atoms. Total energies and ionization energies in closed-shell singlet atoms, where correlation is less important, using the Perdew-Wang 1992 Local Density Approximation (PW92) functional, are in good agreement with experiment and non-relativistic quantum-Monte-Carlo results albeit slightly too low. PMID:25681892
Directory of Open Access Journals (Sweden)
L.S. Vismara
2007-12-01
Full Text Available A dinâmica da população de plantas daninhas pode ser representada por um sistema de equações que relaciona as densidades de sementes produzidas e de plântulas em áreas de cultivo. Os valores dos parâmetros dos modelos podem ser inferidos diretamente de experimentação e análise estatística ou extraídos da literatura. O presente trabalho teve por objetivo estimar os parâmetros do modelo de densidade populacional de plantas daninhas, a partir de um experimento conduzido na área experimental da Embrapa Milho e Sorgo, Sete Lagoas, MG, via os procedimentos de inferências clássica e Bayesiana.Dynamics of weed populations can be described as a system of equations relating the produced seed and seedling densities in crop areas. The model parameter values can be either directly inferred from experimentation and statistical analysis or obtained from the literature. The objective of this work was to estimate the weed population density model parameters based on experimental field data at Embrapa Milho e Sorgo, Sete Lagoas, MG, using classic and Bayesian inferences.
Entanglement in Quantum-Classical Hybrid
Zak, Michail
2011-01-01
It is noted that the phenomenon of entanglement is not a prerogative of quantum systems, but also occurs in other, non-classical systems such as quantum-classical hybrids, and covers the concept of entanglement as a special type of global constraint imposed upon a broad class of dynamical systems. Application of hybrid systems for physics of life, as well as for quantum-inspired computing, has been outlined. In representing the Schroedinger equation in the Madelung form, there is feedback from the Liouville equation to the Hamilton-Jacobi equation in the form of the quantum potential. Preserving the same topology, the innovators replaced the quantum potential with other types of feedback, and investigated the property of these hybrid systems. A function of probability density has been introduced. Non-locality associated with a global geometrical constraint that leads to an entanglement effect was demonstrated. Despite such a quantum like characteristic, the hybrid can be of classical scale and all the measurements can be performed classically. This new emergence of entanglement sheds light on the concept of non-locality in physics.
Crowder, Martin J
2001-01-01
If something can fail, it can often fail in one of several ways and sometimes in more than one way at a time. There is always some cause of failure, and almost always, more than one possible cause. In one sense, then, survival analysis is a lost cause. The methods of Competing Risks have often been neglected in the survival analysis literature. Written by a leading statistician, Classical Competing Risks thoroughly examines the probability framework and statistical analysis of data of Competing Risks. The author explores both the theory of the subject and the practicalities of fitting the models to data. In a coherent, self-contained, and sequential account, the treatment moves from the bare bones of the Competing Risks setup and the associated likelihood functions through survival analysis using hazard functions. It examines discrete failure times and the difficulties of identifiability, and concludes with an introduction to the counting-process approach and the associated martingale theory.With a dearth of ...
Grafakos, Loukas
2014-01-01
The main goal of this text is to present the theoretical foundation of the field of Fourier analysis on Euclidean spaces. It covers classical topics such as interpolation, Fourier series, the Fourier transform, maximal functions, singular integrals, and Littlewood–Paley theory. The primary readership is intended to be graduate students in mathematics with the prerequisite including satisfactory completion of courses in real and complex variables. The coverage of topics and exposition style are designed to leave no gaps in understanding and stimulate further study. This third edition includes new Sections 3.5, 4.4, 4.5 as well as a new chapter on “Weighted Inequalities,” which has been moved from GTM 250, 2nd Edition. Appendices I and B.9 are also new to this edition. Countless corrections and improvements have been made to the material from the second edition. Additions and improvements include: more examples and applications, new and more relevant hints for the existing exercises, new exercises, and...
Sullivan, Woodruff Turner
1982-01-01
Radio techniques were the nrst to lead astronomy away from the quiescent and limited Universe revealed by traditional observations at optical wave lengths. In the earliest days of radio astronomy, a handful of radio physicists and engineers made one startling discovery after another as they opened up the radio sky. With this collection of classic papers and the extensive intro ductory material, the reader can experience these exciting discoveries, as well as understand the developing techniques and follow the motivations which prompted the various lines of inquiry. For instance he or she will follow in detail the several attempts to detect radio waves from the sun at the turn of the century; the unravelling by Jansky of a "steady hiss type static"; the incredible story of Reber who built a 9 meter dish in his backyard in 1937 and then mapped the Milky Way; the vital discoveries by Hey and colleagues of radio bursts from the Sun and of a discrete source in the constellation of Cygnus; the development of re...
Classical and quantum effective theories
Polonyi, Janos
2014-01-01
A generalization of the action principle of classical mechanics, motivated by the Closed Time Path (CTP) scheme of quantum field theory, is presented to deal with initial condition problems and dissipative forces. The similarities of the classical and the quantum cases are underlined. In particular, effective interactions which describe classical dissipative forces represent the system-environment entanglement. The relation between the traditional effective theories and their CTP extension is briefly discussed and few qualitative examples are mentioned.
Population in the classic economics
Adnan Doğruyol
2013-01-01
Growth subject in economics is an important factor of development. Classic economics ecole indicates the population as main variable which tender of growth. On the other hand T. R. Malthus is known as economist who regards population as a problem and brings up it among the classical economists. However, Adam Smith is an intellectual who discussed population problem earlier on the classic economics theory. According to Adam Smith one of the main factors that realise the growth is labour. In ad...
Coherent Communication of Classical Messages
Harrow, Aram W.
2003-01-01
We define "coherent communication" in terms of a simple primitive, show it is equivalent to the ability to send a classical message with a unitary or isometric operation, and use it to relate other resources in quantum information theory. Using coherent communication, we are able to generalize super-dense coding to prepare arbitrary quantum states instead of only classical messages. We also derive single-letter formulae for the classical and quantum capacities of a bipartite unitary gate assi...
The classic: Bone morphogenetic protein.
Urist, Marshall R; Strates, Basil S
2009-12-01
This Classic Article is a reprint of the original work by Marshall R. Urist and Basil S. Strates, Bone Morphogenetic Protein. An accompanying biographical sketch of Marshall R. Urist, MD is available at DOI 10.1007/s11999-009-1067-4; a second Classic Article is available at DOI 10.1007/s11999-009-1069-2; and a third Classic Article is available at DOI 10.1007/s11999-009-1070-9. The Classic Article is copyright 1971 by Sage Publications Inc. Journals and is reprinted with permission from Urist MR, Strates BS. Bone morphogenetic protein. J Dent Res. 1971;50:1392-1406. PMID:19727989
2007-01-01
M51, whose name comes from being the 51st entry in Charles Messier's catalog, is considered to be one of the classic examples of a spiral galaxy. At a distance of about 30 million light-years from Earth, it is also one of the brightest spirals in the night sky. A composite image of M51, also known as the Whirlpool Galaxy, shows the majesty of its structure in a dramatic new way through several of NASA's orbiting observatories. X-ray data from NASA's Chandra X-ray Observatory reveals point-like sources (purple) that are black holes and neutron stars in binary star systems. Chandra also detects a diffuse glow of hot gas that permeates the space between the stars. Optical data from the Hubble Space Telescope (green) and infrared emission from the Spitzer Space Telescope (red) both highlight long lanes in the spiral arms that consist of stars and gas laced with dust. A view of M51 with the Galaxy Evolution Explorer telescope shows hot, young stars that produce lots of ultraviolet energy (blue). The textbook spiral structure is thought be the result of an interaction M51 is experiencing with its close galactic neighbor, NGC 5195, which is seen just above. Some simulations suggest M51's sharp spiral shape was partially caused when NGC 5195 passed through its main disk about 500 million years ago. This gravitational tug of war may also have triggered an increased level of star formation in M51. The companion galaxy's pull would be inducing extra starbirth by compressing gas, jump-starting the process by which stars form.
Classical and relativistic flux of energy conservation in astrophysical jets
Zaninetti, L.
2016-01-01
The conservation of the energy flux in turbulent jets which propagate in the intergalactic medium (IGM) allows deducing the law of motion in the classical and relativistic cases. Three types of IGM are considered: constant density, hyperbolic and inverse power law decrease of density. An analytical law for the evolution of the magnetic field along the radio-jets is deduced using a linear relation between the magnetic pressure and the rest density. Astrophysical applications are made to the ce...
Unbiased estimators for spatial distribution functions of classical fluids.
Adib, Artur B; Jarzynski, Christopher
2005-01-01
We use a statistical-mechanical identity closely related to the familiar virial theorem, to derive unbiased estimators for spatial distribution functions of classical fluids. In particular, we obtain estimators for both the fluid density rho(r) in the vicinity of a fixed solute and the pair correlation g(r) of a homogeneous classical fluid. We illustrate the utility of our estimators with numerical examples, which reveal advantages over traditional histogram-based methods of computing such distributions. PMID:15638649
Institute of Scientific and Technical Information of China (English)
2002-01-01
The heyday of Beijing’s classical music beganin 1993, when top-quality sound equipment andrecords were imported. Also in that year, BeijingMusic Radio presented a classical music programtitled "Fan’s Club" and founded the "Music and
Dynamical Symmetries in Classical Mechanics
Boozer, A. D.
2012-01-01
We show how symmetries of a classical dynamical system can be described in terms of operators that act on the state space for the system. We illustrate our results by considering a number of possible symmetries that a classical dynamical system might have, and for each symmetry we give examples of dynamical systems that do and do not possess that…
Classical dynamics a modern perspective
Sudarshan, Ennackal Chandy George
2016-01-01
Classical dynamics is traditionally treated as an early stage in the development of physics, a stage that has long been superseded by more ambitious theories. Here, in this book, classical dynamics is treated as a subject on its own as well as a research frontier. Incorporating insights gained over the past several decades, the essential principles of classical dynamics are presented, while demonstrating that a number of key results originally considered only in the context of quantum theory and particle physics, have their foundations in classical dynamics.Graduate students in physics and practicing physicists will welcome the present approach to classical dynamics that encompasses systems of particles, free and interacting fields, and coupled systems. Lie groups and Lie algebras are incorporated at a basic level and are used in describing space-time symmetry groups. There is an extensive discussion on constrained systems, Dirac brackets and their geometrical interpretation. The Lie-algebraic description of ...
Behavior Modification is not...
Tawney, James W.; And Others
1973-01-01
Identified are misconceptions of behavior modification procedures according to which behavior modification is connected mistakenly with noncontingent reinforcement, partial change of a teacher's behavior, decelerations of inappropriate behaviors only, dependency producing technology, teacher dominated activity, a single type of classroom…
Classical and quantum anisotropic Heisenberg antiferromagnets
Directory of Open Access Journals (Sweden)
W. Selke
2009-01-01
Full Text Available We study classical and quantum Heisenberg antiferromagnets with exchange anisotropy of XXZ-type and crystal field single-ion terms of quadratic and quartic form in a field. The magnets display a variety of phases, including the spin-flop (or, in the quantum case, spin-liquid and biconical (corresponding, in the quantum lattice gas description, to supersolid phases. Applying ground-state considerations, Monte Carlo and density matrix renormalization group methods, the impact of quantum effects and lattice dimension is analysed. Interesting critical and multicritical behaviour may occur at quantum and thermal phase transitions.
Classical limit for semirelativistic Hartree systems
Aki, Gonca L.
2008-01-01
We consider the three-dimensional semirelativistic Hartree model for fast quantum mechanical particles moving in a self-consistent field. Under appropriate assumptions on the initial density matrix as a (fully) mixed quantum state we prove by using Wigner transformation techniques that its classical limit yields the well known relativistic Vlasov-Poisson system. The result holds for the case of attractive and repulsive mean-field interactions, with an additional size constraint in the attractive case. © 2008 American Institute of Physics.
Arnaud, Jacques; Philippe, Fabrice
2011-01-01
The air density on earth decays as a function of altitude $z$ approximately according to an $\\exp(-w\\,z/\\theta)$-law, where $w$ denotes the weight of a nitrogen molecule and $\\theta=\\kB T$ where $k_B$ is a constant and $T$ is the thermodynamic temperature. To derive this law one usually invokes the Boltzmann factor, itself derived from statistical considerations. We show that this (barometric) law may be derived solely from the democritian concept of corpuscles moving in vacuum. We employ a principle of simplicity, namely that this law is \\emph{independent} of the law of corpuscle motion. This view-point puts aside restrictive assumptions that are source of confusion. Similar observations apply to the ideal-gas law. In the absence of gravity, when a cylinder terminated by a piston, containing a single corpuscle and with height $h$ has temperature $\\theta$, the average force that the corpuscle exerts on the piston is: $\\ave{F}=\\theta/h$. This law is valid at any temperature, except at very low temperatures whe...
ENVIRONMENTALISM AND CLASSIC PARADIGMS OF INTERNATIONAL RELATIONS
Directory of Open Access Journals (Sweden)
D. D. Miniaeva
2014-06-01
Full Text Available This article examines an environmentalism integration process into Three classical paradigms of international relations theory (Liberalism, Realism and Marxism into Three classical paradigms of international relations theory (Liberalism, Realism and Marxism. The main purpose of this study is to reveal the result of this integration. Methods used in this article include analysis and comparison of "ecological" paradigms on selected parameters (the nature of international relations, actors, targets, tools, processes. Results of research show that the beginning of the XXI century is distinguished by the development of new types of political concepts that explain interaction of elements in modern international relations in the area of environmental protection. The reason of these changes lies in the phenomena of environmentalism integration into Three paradigms of international relations. However, we cannot say that any of the examined paradigms accumulated all features of environmentalism without their modification. Better to say, it's rather similar to adaptation of environmental ideas. Therefore, to understand modern international relations processes, it is necessary to take into account their environmental element. Purchase on Elibrary.ru > Buy nowDOI: http://dx.doi.org/10.12731/2070-7568-2014-3-4
Akibue, Seiseki; Owari, Masaki; Kato, Go; Murao, Mio
2016-01-01
Phenomena induced by the existence of entanglement, such as nonlocal correlations, exhibit characteristic properties of quantum mechanics distinguishing from classical theories. When entanglement is accompanied by classical communication, it enhances the power of quantum operations jointly performed by two spatially separated parties. Such a power has been analyzed by the gap between the performances of joint quantum operations implementable by local operations at each party connected by clas...
Quantum localization of Classical Mechanics
Batalin, Igor A
2016-01-01
Quantum localization of classical mechanics within the BRST-BFV and BV (or field-antifield) quantization methods are studied. It is shown that a special choice of gauge fixing functions (or BRST-BFV charge) together with the unitary limit leads to Hamiltonian localization in the path integral of the BRST-BFV formalism. In turn, we find that a special choice of gauge fixing functions being proportional to extremals of an initial non-degenerate classical action together with a very special solution of the classical master equation result in Lagrangian localization in the partition function of the BV formalism.
Quantum localization of classical mechanics
Batalin, Igor A.; Lavrov, Peter M.
2016-07-01
Quantum localization of classical mechanics within the BRST-BFV and BV (or field-antifield) quantization methods are studied. It is shown that a special choice of gauge fixing functions (or BRST-BFV charge) together with the unitary limit leads to Hamiltonian localization in the path integral of the BRST-BFV formalism. In turn, we find that a special choice of gauge fixing functions being proportional to extremals of an initial non-degenerate classical action together with a very special solution of the classical master equation result in Lagrangian localization in the partition function of the BV formalism.
The Wigner representation of classical mechanics, quantization and classical limit
International Nuclear Information System (INIS)
Starting from the Liouvillian formulation of classical physics it is possible by means of a Fourier transform to introduce the Wigner representation and to derive an operator structure to classical mechanisms. The importance of this new representation lies on the fact that it turns out to be suitable route to establish a general method of quantization directly from the equations of motion without alluding to the existence of Hamiltonian and Lagrangian functions. Following this approach we quantize only the motion of a Browian particle with non-linear friction in the Markovian approximation - the thermal bath may be quantum or classical -, thus when the bath is classically described we obtain a master equation which reduces to Caldeira-Legget equation for the linear friction case, and when the reservoir is quantum we get an equation reducing to the one found by Caldeira et al. By neglecting the environmental influence we show that the system can be approximately described by equations of motion in terms of wave function, such as the Schrodinger-Langevin equation and equations of the Caldirola-Kanai type. Finally to make the present study self-consistent we evaluate the classical limit of these dynamical equations employing a new classical limiting method h/2π → 0. (author)
Machining, joining and modifications of advanced materials
Altenbach, Holm
2016-01-01
This book presents the latest advances in mechanical and materials engineering applied to the machining, joining and modification of modern engineering materials. The contributions cover the classical fields of casting, forming and injection moulding as representative manufacturing methods, whereas additive manufacturing methods (rapid prototyping and laser sintering) are treated as more innovative and recent technologies that are paving the way for the manufacturing of shapes and features that traditional methods are unable to deliver. The book also explores water jet cutting as an innovative cutting technology that avoids the heat build-up typical of classical mechanical cutting. It introduces readers to laser cutting as an alternative technology for the separation of materials, and to classical bonding and friction stir welding approaches in the context of joining technologies. In many cases, forming and machining technologies require additional post-treatment to achieve the required level of surface quali...
Classical and stochastic Laplacian growth
Gustafsson, Björn; Vasil’ev, Alexander
2014-01-01
This monograph covers a multitude of concepts, results, and research topics originating from a classical moving-boundary problem in two dimensions (idealized Hele-Shaw flows, or classical Laplacian growth), which has strong connections to many exciting modern developments in mathematics and theoretical physics. Of particular interest are the relations between Laplacian growth and the infinite-size limit of ensembles of random matrices with complex eigenvalues; integrable hierarchies of differential equations and their spectral curves; classical and stochastic Löwner evolution and critical phenomena in two-dimensional statistical models; weak solutions of hyperbolic partial differential equations of singular-perturbation type; and resolution of singularities for compact Riemann surfaces with anti-holomorphic involution. The book also provides an abundance of exact classical solutions, many explicit examples of dynamics by conformal mapping as well as a solid foundation of potential theory. An extensive biblio...
New perspectives on classical electromagnetism
Cote, Paul J.
2009-01-01
The fallacies associated with the gauge concept in electromagnetism are illustrated. A clearer and more valid formulation of the basics of classical electromagnetism is provided by recognizing existing physical constraints as well as the physical reality of the vector potential.
Classical Mechanics and Symplectic Integration
DEFF Research Database (Denmark)
Nordkvist, Nikolaj; Hjorth, Poul G.
2005-01-01
Content: Classical mechanics: Calculus of variations, Lagrange’s equations, Symmetries and Noether’s theorem, Hamilton’s equations, cannonical transformations, integrable systems, pertubation theory. Symplectic integration: Numerical integrators, symplectic integrators, main theorem on symplectic...
Fano interference in classical oscillators
International Nuclear Information System (INIS)
We seek to illustrate Fano interference in a classical coupled oscillator by using classical analogues of the atom-laser interaction. We present an analogy between the dressed state picture of coherent atom-laser interaction and a classical coupled oscillator. The Autler-Townes splitting due to the atom-laser interaction is analogous to the splitting of normal-mode frequencies of a coupled oscillator. Using this analogy, we simulate and experimentally demonstrate Fano interference and the associated phenomena in three-level atoms in a coupled electrical resonator circuit. This work aims to highlight analogies between classical and quantum systems for students at the postgraduate and graduate levels. Also, the reported technique can be easily realized in undergraduate laboratories. (paper)
Elementary charges in classical electrodynamics
KAPU'{S}CIK, Edward
1999-01-01
In the framework of classical electrodynamics elementary particles are treated as capacitors. The electrostatic potentials satisfy equations of the Schrödinger type. An interesting "quantization condition" for elementary charges is derived.
Probabilities for classically forbidden transitions using classical and classical path methods
International Nuclear Information System (INIS)
Limits are established for the applicability of purely classical methods for calculating nonreactive, inelastic transition probabilities in collinear collisions of a structureless atom and a harmonic oscillator. These limits, obtained by comparison with previous exact quantum mechanical results, indicate that such methods are inappropriate not only for ''classically forbidden'' but for many ''classically allowed'' transitions (in spite of the fact that they are widely used to calculate probabilities for such processes). A classical path method in the context of infinite-order time-dependent perturbation theory is described which yields extremely accurate transition probabilities even for the most classically forbidden transitions in the collinear atom--harmonic oscillator system. The essential features of this method are: (1) the use of the expectation value of the total interaction potential in determining the atom--oscillator (central force) trajectory, and (2) the use of the arithmetic mean of the initial and final velocities of relative motion in the (elastic) central force trajectory. This choice of interaction potential allows the relative motion to be coupled to changes in the internal state of the oscillator. The present classical method is further applied to three-dimensional atom-breathing sphere collisions, and exact quantum mechanical calculations are also carried out. Comparison of the classical path and exact quantum results shows excellent agreement both in the specific inelastic cross section and in the individual partial-wave contributions
Anderson localization from classical trajectories
Brouwer, Piet W.; Altland, Alexander
2008-01-01
We show that Anderson localization in quasi-one dimensional conductors with ballistic electron dynamics, such as an array of ballistic chaotic cavities connected via ballistic contacts, can be understood in terms of classical electron trajectories only. At large length scales, an exponential proliferation of trajectories of nearly identical classical action generates an abundance of interference terms, which eventually leads to a suppression of transport coefficients. We quantitatively descri...
Gaussian Dynamics is Classical Dynamics
Habib, Salman
2004-01-01
A direct comparison of quantum and classical dynamical systems can be accomplished through the use of distribution functions. This is useful for both fundamental investigations such as the nature of the quantum-classical transition as well as for applications such as quantum feedback control. By affording a clear separation between kinematical and dynamical quantum effects, the Wigner distribution is particularly valuable in this regard. Here we discuss some consequences of the fact that when...
Quantum systems as classical systems
Cassa, Antonio
2001-01-01
A characteristical property of a classical physical theory is that the observables are real functions taking an exact outcome on every (pure) state; in a quantum theory, at the contrary, a given observable on a given state can take several values with only a predictable probability. However, even in the classical case, when an observer is intrinsically unable to distinguish between some distinct states he can convince himself that the measure of its ''observables'' can have several values in ...
Quantum money with classical verification
International Nuclear Information System (INIS)
We propose and construct a quantum money scheme that allows verification through classical communication with a bank. This is the first demonstration that a secure quantum money scheme exists that does not require quantum communication for coin verification. Our scheme is secure against adaptive adversaries - this property is not directly related to the possibility of classical verification, nevertheless none of the earlier quantum money constructions is known to possess it
Classical theory of radiating strings
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.
Quantum money with classical verification
Energy Technology Data Exchange (ETDEWEB)
Gavinsky, Dmitry [NEC Laboratories America, Princeton, NJ (United States)
2014-12-04
We propose and construct a quantum money scheme that allows verification through classical communication with a bank. This is the first demonstration that a secure quantum money scheme exists that does not require quantum communication for coin verification. Our scheme is secure against adaptive adversaries - this property is not directly related to the possibility of classical verification, nevertheless none of the earlier quantum money constructions is known to possess it.
Principles of maximally classical and maximally realistic quantum mechanics
Indian Academy of Sciences (India)
S M Roy
2002-08-01
Recently Auberson, Mahoux, Roy and Singh have proved a long standing conjecture of Roy and Singh: In 2-dimensional phase space, a maximally realistic quantum mechanics can have quantum probabilities of no more than + 1 complete commuting cets (CCS) of observables coexisting as marginals of one positive phase space density. Here I formulate a stationary principle which gives a nonperturbative deﬁnition of a maximally classical as well as maximally realistic phase space density. I show that the maximally classical trajectories are in fact exactly classical in the simple examples of coherent states and bound states of an oscillator and Gaussian free particle states. In contrast, it is known that the de Broglie–Bohm realistic theory gives highly nonclassical trajectories.
Does classical liberalism imply democracy?
Directory of Open Access Journals (Sweden)
David Ellerman
2015-12-01
Full Text Available There is a fault line running through classical liberalism as to whether or not democratic self-governance is a necessary part of a liberal social order. The democratic and non-democratic strains of classical liberalism are both present today—particularly in the United States. Many contemporary libertarians and neo-Austrian economists represent the non-democratic strain in their promotion of non-democratic sovereign city-states (start-up cities or charter cities. We will take the late James M. Buchanan as a representative of the democratic strain of classical liberalism. Since the fundamental norm of classical liberalism is consent, we must start with the intellectual history of the voluntary slavery contract, the coverture marriage contract, and the voluntary non-democratic constitution (or pactum subjectionis. Next we recover the theory of inalienable rights that descends from the Reformation doctrine of the inalienability of conscience through the Enlightenment (e.g. Spinoza and Hutcheson in the abolitionist and democratic movements. Consent-based governments divide into those based on the subjects’ alienation of power to a sovereign and those based on the citizens’ delegation of power to representatives. Inalienable rights theory rules out that alienation in favor of delegation, so the citizens remain the ultimate principals and the form of government is democratic. Thus the argument concludes in agreement with Buchanan that the classical liberal endorsement of sovereign individuals acting in the marketplace generalizes to the joint action of individuals as the principals in their own organizations.
No Return to Classical Reality
Jennings, David
2015-01-01
At a fundamental level, the classical picture of the world is dead, and has been dead now for almost a century. Pinning down exactly which quantum phenomena are responsible for this has proved to be a tricky and controversial question, but a lot of progress has been made in the past few decades. We now have a range of precise statements showing that whatever the ultimate laws of Nature are, they cannot be classical. In this article, we review results on the fundamental phenomena of quantum theory that cannot be understood in classical terms. We proceed by first granting quite a broad notion of classicality, describe a range of quantum phenomena (such as randomness, discreteness, the indistinguishability of states, measurement-uncertainty, measurement-disturbance, complementarity, noncommutativity, interference, the no-cloning theorem, and the collapse of the wave-packet) that do fall under its liberal scope, and then finally describe some aspects of quantum physics that can never admit a classical understandi...
Semi-classical limit of relativistic quantum mechanics
Indian Academy of Sciences (India)
L Kocis
2005-07-01
It is shown that the semi-classical limit of solutions to the Klein–Gordon equation gives the particle probability density that is in direct proportion to the inverse of the particle velocity. It is also shown that in the case of the Dirac equation a different result is obtained.
Pederson, Mark R
2014-01-01
A recent modification of the Perdew-Zunger self-interaction-correction (SIC) to the density-functional formalism (Pederson, Ruzsinszky, Perdew) has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Lowdin orthonormalized Fermi-orbitals (Luken et al) which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested here on atoms. Total energies and ionization energies in closed-shell atoms, where correlation is less important, using the PW92 LDA functional are in very good to excellent agreement with experiment and non-relativistic Quantum-Monte-Carlo (QMC) results.
Classical isodual theory of antimatter
Santilli, R M
1997-01-01
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 treatments of matter and antimatter in due time, in this paper we present a classical representation of antimatter which begins at the primitive Newtonian level with expected images at all subsequent levels. By recalling that charge conjugation of particles into antiparticles is anti-automorphic, the proposed theory of antimatter is based on a new map, called isoduality, which is also anti-automorphic, yet it is applicable beginning at the classical level and then persists at the quantum level. As part of our study, we present novel anti-isomorphic isodual images of the Galilean, special and general relativities and show the compatibility of their representation of antimatter with all available classical experi...
Casimir Effect The Classical Limit
Feinberg, J; Revzen, M
2001-01-01
We analyze the high temperature limit of the Casimir effect. A simple physical argument suggests that the Casimir energy (as opposed to the Casimir free energy) should vanish in the classical limit. We check the validity of this argument for massless scalar field confined in a cavity with boundaries of arbitrary shape, using path integral formalism. We are able to verify this suggestion only when the boundaries consist of disjoint pieces. Moreover, we find in these cases that the contribution to the Casimir entropy by field modes that depend on that separation, tends, in the classical limit, to a finite asymptotic value which depends only on the geometry of the cavity. Thus the Casimir force between disjoint pieces of the boundary in the classical limit is entropy driven and is governed by a dimensionless number characterizing the arbitrary geometry of the cavity. Contributions to the Casimir thermodynamical quantities due to each individual connected component of the boundary exhibit logarithmic deviations i...
Population in the classic economics
Directory of Open Access Journals (Sweden)
Adnan Doğruyol
2013-02-01
Full Text Available Growth subject in economics is an important factor of development. Classic economics ecole indicates the population as main variable which tender of growth. On the other hand T. R. Malthus is known as economist who regards population as a problem and brings up it among the classical economists. However, Adam Smith is an intellectual who discussed population problem earlier on the classic economics theory. According to Adam Smith one of the main factors that realise the growth is labour. In addition to population made it established. The aim of this study is analyzing the mental relationship between Malthus whose name has been identified with relation between population-growth and Smith who discussed this subject first time but put it off on process of theorisation.
Comparing classical and quantum equilibration
Malabarba, Artur S L; Short, Anthony J
2016-01-01
By using a physically-relevant and theory independent definition of measurement-based equilibration, we show quantitatively that equilibration is easier for quantum systems than for classical systems, in the situation where the initial state of the system is completely known (pure state). This shows that quantum equilibration is a fundamental, nigh unavoidable, aspect of physical systems, while classical equilibration relies on experimental ignorance. When the state is not completely known, a mixed state, this framework also shows quantum equilibration requires weaker conditions.
Classical planning and causal implicatures
DEFF Research Database (Denmark)
Blackburn, Patrick Rowan; Benotti, Luciana
In this paper we motivate and describe a dialogue manager (called Frolog) which uses classical planning to infer causal implicatures. A causal implicature is a type of Gricean relation implicature, a highly context dependent form of inference. As we shall see, causal implicatures are important for...... generate clarification requests"; as a result we can model task-oriented dialogue as an interactive process locally structured by negotiation of the underlying task. We give several examples of Frolog-human dialog, discuss the limitations imposed by the classical planning paradigm, and indicate the...
Classical analogy of Fano resonances
International Nuclear Information System (INIS)
We present an analogy of Fano resonances in quantum interference to classical resonances in the harmonic oscillator system. It has a manifestation as a coupled behaviour of two effective oscillators associated with propagating and evanescent waves. We illustrate this point by considering a classical system of two coupled oscillators and interfering electron waves in a quasi-one-dimensional narrow constriction with a quantum dot. Our approach provides a novel insight into Fano resonance physics and provides a helpful view in teaching Fano resonances
Principal bundles the classical case
Sontz, Stephen Bruce
2015-01-01
This introductory graduate level text provides a relatively quick path to a special topic in classical differential geometry: principal bundles. While the topic of principal bundles in differential geometry has become classic, even standard, material in the modern graduate mathematics curriculum, the unique approach taken in this text presents the material in a way that is intuitive for both students of mathematics and of physics. The goal of this book is to present important, modern geometric ideas in a form readily accessible to students and researchers in both the physics and mathematics communities, providing each with an understanding and appreciation of the language and ideas of the other.
Permit application modifications
International Nuclear Information System (INIS)
This document contains the Permit Application Modifications for the Y-12 Industrial Landfill V site on the Oak Ridge Reservation. These modifications include the assessment of stability of the proposed Landfill V under static and loading conditions. Analyses performed include the general slope stability, veneer stability of the bottom liner and cover system, and a liquefaction potential assessment of the foundation soils