Path Integral Formulation of Anomalous Diffusion Processes
Friedrich, Rudolf; Eule, Stephan
2011-01-01
We present the path integral formulation of a broad class of generalized diffusion processes. Employing the path integral we derive exact expressions for the path probability densities and joint probability distributions for the class of processes under consideration. We show that Continuous Time Random Walks (CTRWs) are included in our framework. A closed expression for the path probability distribution of CTRWs is found in terms of their waiting time distribution as the solution of a Dyson ...
Counting paths with Schur transitions
Energy Technology Data Exchange (ETDEWEB)
Díaz, Pablo [Department of Physics and Astronomy, University of Lethbridge, Lethbridge, Alberta, T1K 3M4 (Canada); Kemp, Garreth [Department of Physics, University of Johannesburg, P.O. Box 524, Auckland Park 2006 (South Africa); Véliz-Osorio, Alvaro, E-mail: aveliz@gmail.com [Mandelstam Institute for Theoretical Physics, University of the Witwatersrand, WITS 2050, Johannesburg (South Africa); School of Physics and Astronomy, Queen Mary, University of London, Mile End Road, London E1 4NS (United Kingdom)
2016-10-15
In this work we explore the structure of the branching graph of the unitary group using Schur transitions. We find that these transitions suggest a new combinatorial expression for counting paths in the branching graph. This formula, which is valid for any rank of the unitary group, reproduces known asymptotic results. We proceed to establish the general validity of this expression by a formal proof. The form of this equation strongly hints towards a quantum generalization. Thus, we introduce a notion of quantum relative dimension and subject it to the appropriate consistency tests. This new quantity finds its natural environment in the context of RCFTs and fractional statistics; where the already established notion of quantum dimension has proven to be of great physical importance.
Transition paths in single-molecule force spectroscopy.
Cossio, Pilar; Hummer, Gerhard; Szabo, Attila
2018-03-28
In a typical single-molecule force spectroscopy experiment, the ends of the molecule of interest are connected by long polymer linkers to a pair of mesoscopic beads trapped in the focus of two laser beams. At constant force load, the total extension, i.e., the end-to-end distance of the molecule plus linkers, is measured as a function of time. In the simplest systems, the measured extension fluctuates about two values characteristic of folded and unfolded states, with occasional transitions between them. We have recently shown that molecular (un)folding rates can be recovered from such trajectories, with a small linker correction, as long as the characteristic time of the bead fluctuations is shorter than the residence time in the unfolded (folded) state. Here, we show that accurate measurements of the molecular transition path times require an even faster apparatus response. Transition paths, the trajectory segments in which the molecule (un)folds, are properly resolved only if the beads fluctuate more rapidly than the end-to-end distance of the molecule. Therefore, over a wide regime, the measured rates may be meaningful but not the transition path times. Analytic expressions for the measured mean transition path times are obtained for systems diffusing anisotropically on a two-dimensional free energy surface. The transition path times depend on the properties both of the molecule and of the pulling device.
Multiple paths in educational transitions
DEFF Research Database (Denmark)
Karlson, Kristian Bernt
2011-01-01
In many countries educational branching points consist of more than two qualitatively different alternatives, and only some alternatives provide the opportunity of continuing into higher education. I develop a multinomial transition model for modeling the effects of family background characterist......In many countries educational branching points consist of more than two qualitatively different alternatives, and only some alternatives provide the opportunity of continuing into higher education. I develop a multinomial transition model for modeling the effects of family background...... characteristics and individual characteristics on these complex educational careers. The model controls for unobserved heterogeneity that may, if ignored, result in biased estimates. Compared to previous research, I explicitly include instrumental variables that ensure identification of the unobserved component....... I apply the model to the Danish case and analyze data which covers the educational careers of a cohort of Danes born around 1954. I find that the model brings forward non-trivial heterogeneity in the influence of family background and ability on qualitatively different choice alternatives both...
Diffusion in periodic potentials with path integral hyperdynamics.
Ikonen, T; Khandkar, M D; Chen, L Y; Ying, S C; Ala-Nissila, T
2011-08-01
We consider the diffusion of brownian particles in one-dimensional periodic potentials as a test bench for the recently proposed stochastic path integral hyperdynamics (PIHD) scheme [Chen and Horing, J. Chem. Phys. 126, 224103 (2007)]. First, we consider the case where PIHD is used to enhance the transition rate of activated rare events. To this end, we study the diffusion of a single brownian particle moving in a spatially periodic potential in the high-friction limit at low temperature. We demonstrate that the boost factor as compared to straight molecular dynamics (MD) has nontrivial behavior as a function of the bias force. Instead of growing monotonically with the bias, the boost attains an optimal maximum value due to increased error in the finite path sampling induced by the bias. We also observe that the PIHD method can be sensitive to the choice of numerical integration algorithm. As the second case, we consider parallel resampling of multiple bias force values in the case of a brownian particle in a periodic potential subject to an external ac driving force. We confirm that there is no stochastic resonance in this system. However, while the PIHD method allows one to obtain data for multiple values of the ac bias, the boost with respect to MD remains modest due to the simplicity of the equation of motion in this case.
Enzymatic reaction paths as determined by transition path sampling
Masterson, Jean Emily
Enzymes are biological catalysts capable of enhancing the rates of chemical reactions by many orders of magnitude as compared to solution chemistry. Since the catalytic power of enzymes routinely exceeds that of the best artificial catalysts available, there is much interest in understanding the complete nature of chemical barrier crossing in enzymatic reactions. Two specific questions pertaining to the source of enzymatic rate enhancements are investigated in this work. The first is the issue of how fast protein motions of an enzyme contribute to chemical barrier crossing. Our group has previously identified sub-picosecond protein motions, termed promoting vibrations (PVs), that dynamically modulate chemical transformation in several enzymes. In the case of human heart lactate dehydrogenase (hhLDH), prior studies have shown that a specific axis of residues undergoes a compressional fluctuation towards the active site, decreasing a hydride and a proton donor--acceptor distance on a sub-picosecond timescale to promote particle transfer. To more thoroughly understand the contribution of this dynamic motion to the enzymatic reaction coordinate of hhLDH, we conducted transition path sampling (TPS) using four versions of the enzymatic system: a wild type enzyme with natural isotopic abundance; a heavy enzyme where all the carbons, nitrogens, and non-exchangeable hydrogens were replaced with heavy isotopes; and two versions of the enzyme with mutations in the axis of PV residues. We generated four separate ensembles of reaction paths and analyzed each in terms of the reaction mechanism, time of barrier crossing, dynamics of the PV, and residues involved in the enzymatic reaction coordinate. We found that heavy isotopic substitution of hhLDH altered the sub-picosecond dynamics of the PV, changed the favored reaction mechanism, dramatically increased the time of barrier crossing, but did not have an effect on the specific residues involved in the PV. In the mutant systems
Transformation paths in transition-metal disilicides
Czech Academy of Sciences Publication Activity Database
Káňa, Tomáš; Šob, Mojmír; Vitek, V.
2011-01-01
Roč. 465, - (2011), s. 61-64 ISSN 1662-9795. [MSMF /6./ Materials Structure and Micromechanics of Fracture. Brno, 28.06.2010-30.06.2010] R&D Projects: GA AV ČR IAA100100920; GA MŠk(CZ) OC10008 Institutional research plan: CEZ:AV0Z20410507 Keywords : transition-metal disilicides * transformation path * structural stability * electronic structure Subject RIV: BM - Solid Matter Physics ; Magnetism
Transport Mean Free Path for Magneto-Transverse Light Diffusion
Lacoste, D.; van Tiggelen, B. A.
1998-01-01
We derive an expression for the transport mean free path $\\ell^*_\\perp$ associated with magneto-transverse light diffusion for a random collection of Faraday-active Mie scatterers. This expression relates the magneto-transverse diffusion in multiple scattering directly to the magneto-transverse scattering of a single scatterer.
Diffusion paths for micro cogeneration using hydrogen in the Netherlands
Taanman, M.; Groot, A.de; Kemp, R.; Verspagen, B.
2008-01-01
We estimate the diffusion of micro cogeneration systems (MiCoGen) using hydrogen produced from natural gas in the Netherlands for the 2000-2050 period on the basis of economical factors. The diffusion is important for the transition to a hydrogen economy based on renewables, with natural gas paving
Bifurcation of transition paths induced by coupled bistable systems.
Tian, Chengzhe; Mitarai, Namiko
2016-06-07
We discuss the transition paths in a coupled bistable system consisting of interacting multiple identical bistable motifs. We propose a simple model of coupled bistable gene circuits as an example and show that its transition paths are bifurcating. We then derive a criterion to predict the bifurcation of transition paths in a generalized coupled bistable system. We confirm the validity of the theory for the example system by numerical simulation. We also demonstrate in the example system that, if the steady states of individual gene circuits are not changed by the coupling, the bifurcation pattern is not dependent on the number of gene circuits. We further show that the transition rate exponentially decreases with the number of gene circuits when the transition path does not bifurcate, while a bifurcation facilitates the transition by lowering the quasi-potential energy barrier.
Xi, Li; Shah, Manas; Trout, Bernhardt L
2013-04-04
Diffusion of small molecules in amorphous polymers is known to follow a form of so-called hopping motion: penetrant molecules are trapped in microscopic cavities for extended time periods; diffusion is made possible by rare but fast jumps between neighboring cavities. Existing understanding of the hopping mechanism is based on the inspection of molecular images during individual molecular-dynamics trajectories. We focus on the diffusion of water molecules in a hydrophilic polymer below its glass transition temperature. The transition path ensemble of one hopping event is sampled with aimless shooting, a type of transition path sampling technique. In these trajectories, configurations of both the penetrant and the polymer change during the transition. Statistical analysis of the ensemble using likelihood maximization leads to a reaction coordinate of the transition, whose key components include the penetrant configuration and distances between penetrant-host atom pairs that have strong electrostatic interactions. Polymer motions do not contribute directly to the reaction coordinate. This result points toward a transition mechanism dominated by the penetrant movement. Molecular insights from this study can benefit the development of computational tools that better predict material transport properties, facilitating the design of new materials, including polymers with engineered drying properties.
Sign phase transition in the problem of interfering directed paths
Baldwin, C. L.; Laumann, C. R.; Spivak, B.
2018-01-01
We investigate the statistical properties of interfering directed paths in disordered media. At long distance, the average sign of the sum over paths may tend to zero (sign disordered) or remain finite (sign ordered) depending on dimensionality and the concentration of negative scattering sites x . We show that in two dimensions the sign-ordered phase is unstable even for arbitrarily small x by identifying rare destabilizing events. In three dimensions, we present strong evidence that there is a sign phase transition at a finite xc>0 . These results have consequences for several different physical systems. In two-dimensional insulators at low temperature, the variable-range-hopping magnetoresistance is always negative, while in three dimensions, it changes sign at the point of the sign phase transition. We also show that in the sign-disordered regime a small magnetic field may enhance superconductivity in a random system of D -wave superconducting grains embedded in a metallic matrix. Finally, the existence of the sign phase transition in three dimensions implies new features in the spin-glass phase diagram at high temperature.
Rare events in many-body systems: reactive paths and reaction constants for structural transitions
International Nuclear Information System (INIS)
Picciani, M.
2012-01-01
This PhD thesis deals with the study of fundamental physics phenomena, with applications to nuclear materials of interest. We have developed methods for the study of rare events related to thermally activated structural transitions in many body systems. The first method involves the numerical simulation of the probability current associated with reactive paths. After deriving the evolution equations for the probability current, a Diffusion Monte Carlo algorithm is implemented in order to sample this current. This technique, called Transition Current Sampling was applied to the study of structural transitions in a cluster of 38 atoms with Lennard-Jones potential (LJ-38). A second algorithm, called Transition Path Sampling with local Lyapunov bias (LyTPS), was then developed. LyTPS calculates reaction rates at finite temperature by following the transition state theory. A statistical bias based on the maximum local Lyapunov exponents is introduced to accelerate the sampling of reactive trajectories. To extract the value of the equilibrium reaction constants obtained from LyTPS, we use the Multistate Bennett Acceptance Ratio. We again validate this method on the LJ-38 cluster. LyTPS is then used to calculate migration constants for vacancies and divacancies in the α-Iron, and the associated migration entropy. These constants are used as input parameter for codes modeling the kinetic evolution after irradiation (First Passage Kinetic Monte Carlo) to reproduce numerically resistivity recovery experiments in α-Iron. (author) [fr
Transition Path Time Distribution, Tunneling Times, Friction, and Uncertainty
Pollak, Eli
2017-02-01
A quantum mechanical transition path time probability distribution is formulated and its properties are studied using a parabolic barrier potential model. The average transit time is well defined and readily calculated. It is smaller than the analogous classical mechanical average transit time, vanishing at the crossover temperature. It provides a direct route for determining tunneling times. The average time may be also used to define a coarse grained momentum of the system for the passage from one side of the barrier to the other. The product of the uncertainty in this coarse grained momentum with the uncertainty in the location of the particle is shown under certain conditions to be smaller than the ℏ/2 formal uncertainty limit. The model is generalized to include friction in the form of a bilinear interaction with a harmonic bath. Using an Ohmic friction model one finds that increasing the friction, increases the transition time. Only moderate values of the reduced friction coefficient are needed for the quantum transition time and coarse grained uncertainty to approach the classical limit which is smaller than ℏ/2 when the friction is not too small. These results show how one obtains classical dynamics from a pure quantum system without invoking any further assumptions, approximations, or postulates.
Complex Nonlinearity Chaos, Phase Transitions, Topology Change and Path Integrals
Ivancevic, Vladimir G
2008-01-01
Complex Nonlinearity: Chaos, Phase Transitions, Topology Change and Path Integrals is a book about prediction & control of general nonlinear and chaotic dynamics of high-dimensional complex systems of various physical and non-physical nature and their underpinning geometro-topological change. The book starts with a textbook-like expose on nonlinear dynamics, attractors and chaos, both temporal and spatio-temporal, including modern techniques of chaos–control. Chapter 2 turns to the edge of chaos, in the form of phase transitions (equilibrium and non-equilibrium, oscillatory, fractal and noise-induced), as well as the related field of synergetics. While the natural stage for linear dynamics comprises of flat, Euclidean geometry (with the corresponding calculation tools from linear algebra and analysis), the natural stage for nonlinear dynamics is curved, Riemannian geometry (with the corresponding tools from nonlinear, tensor algebra and analysis). The extreme nonlinearity – chaos – corresponds to th...
Low carbon transition and sustainable development path of tourism industry
Zhu, Hongbing; Zhang, Jing; Zhao, Lei; Jin, Shenglang
2017-05-01
The low carbon transition is as much a transformative technology shift as it represents a response to global environment challenges. The low carbon paradigm presents a new direction of change for tourism industry. However, the lack of theoretical frameworks on low carbon transformation in tourism industry context provides a significant knowledge gap. This paper firstly investigates the relationships between low carbon and sustainable development, followed by exploring the existing challenges of tourism sustainable development. At last, this paper presents a sustainable development path framework for low carbon transition of tourism industry, which include accelerating deployment of renewable energy, energy-saving green building construction, improving green growth investment, and adopting a sustainable consumption and production system, in order to promote energy and water efficiency, waste management, GHG emissions mitigation and eventually enhance its sustainability.
A numerical scheme for optimal transition paths of stochastic chemical kinetic systems
International Nuclear Information System (INIS)
Liu Di
2008-01-01
We present a new framework for finding the optimal transition paths of metastable stochastic chemical kinetic systems with large system size. The optimal transition paths are identified to be the most probable paths according to the Large Deviation Theory of stochastic processes. Dynamical equations for the optimal transition paths are derived using the variational principle. A modified Minimum Action Method (MAM) is proposed as a numerical scheme to solve the optimal transition paths. Applications to Gene Regulatory Networks such as the toggle switch model and the Lactose Operon Model in Escherichia coli are presented as numerical examples
A numerical scheme for optimal transition paths of stochastic chemical kinetic systems
Liu, Di
2008-10-01
We present a new framework for finding the optimal transition paths of metastable stochastic chemical kinetic systems with large system size. The optimal transition paths are identified to be the most probable paths according to the Large Deviation Theory of stochastic processes. Dynamical equations for the optimal transition paths are derived using the variational principle. A modified Minimum Action Method (MAM) is proposed as a numerical scheme to solve the optimal transition paths. Applications to Gene Regulatory Networks such as the toggle switch model and the Lactose Operon Model in Escherichia coli are presented as numerical examples.
Behaviors and transitions along the path to magnetostrophic convection
Grannan, A. M.; Vogt, T.; Horn, S.; Hawkins, E. K.; Aggarwal, A.; Aurnou, J. M.
2017-12-01
The generation of magnetic fields in planetary and stellar interiors are believed to be controlled primarily by turbulent convection constrained by Coriolis and Lorentz forces in their electrically conducting fluid layers. Yet relatively few laboratory experiments are capable of investigating the different regimes of turbulent magnetohydrodynamic convection. In this work, we perform one laboratory experiment in a cylinder at a fixed heat flux using the liquid metal gallium in order to investigate, sequentially: Rayleigh-Bènard convection without any imposed constraints, magnetoconvection with a Lorentz constraint imposed by vertical magnetic field, rotating convection with a Coriolis constraint imposed by rotation, and finally the magnetostrophic convective regime where both Coriolis and Lorentz are imposed and equal. Using an array of internal and external temperature probes, we show that each regime along the path to magnetostrophic convection is unique. The behaviors and transitions in the dominant modes of convection as well as their fundamental frequencies and wavenumbers are investigated.
Using swarm intelligence for finding transition states and reaction paths.
Fournier, René; Bulusu, Satya; Chen, Stephen; Tung, Jamie
2011-09-14
We describe an algorithm that explores potential energy surfaces (PES) and finds approximate reaction paths and transition states. A few (≈6) evolving atomic configurations ("climbers") start near a local minimum M1 of the PES. The climbers seek a shallow ascent, low energy, path toward a saddle point S12, cross over to another valley of the PES, and climb down to a new minimum M2 that was not known beforehand. Climbers use both energy and energy derivatives to make individual decisions, and they use relative fitness to make team-based decisions. In sufficiently long runs, they keep exploring and may go through a sequence M1-S12-M2-S23-M3 ... of minima and saddle points without revisiting any of the critical points. We report results on eight small test systems that highlight advantages and disadvantages of the method. We also investigated the PES of Li(8), Al(7)(+), Ag(7), and Ag(2)NH(3) to illustrate potential applications of this new method. © 2011 American Institute of Physics
Energy Transition and Barriers on the Path to its Introduction
Directory of Open Access Journals (Sweden)
Tomislav Tkalec
2015-12-01
Full Text Available Energy transition is a concept originating from the necessity of solving environmental problems and conflicts in the energy sector. It originates from environmental tradition and advocates transition from environmentally and socially controversial sources of energy to renewables. That also means a shift from large centralized production units (mainly based on fossil and nuclear energy to smaller, dispersed ones. This decentralization process inherently leads to a democratization of the electricity sector, as large energy companies are losing their power and position in the energy policy arena, as more and more smaller actors emerge. However, when trying to change the electricity system, many obstacles arise – from the economics, old energy paradigm, path dependence, inertia of electricity system, power relations between actors, institutional lock-in, to perceptions and values of the dominant players. All barriers are reflected in the energy policy arena, dominated mainly by large energy companies, reluctant to accept changes. Demands for a change come from non-dominant actors, mainly from civil society actors and others, who are pushed to the margins of the political arena. Therefore, decision-makers should recognize their role, change institutional structure of the energy policy arena, and open it to various actors that can add new qualities to decision-making processes and outputs.
Inward Cationic Diffusion and Percolation Transition in Glass-Ceramics
DEFF Research Database (Denmark)
Smedsklaer, Morten Mattrup; Yue, Yuanzheng; Mørup, Steen
2010-01-01
We show the quantitative correlation between the degree of crystallization and the cationic diffusion extent in iron-containing diopside glass–ceramics at the glass transition temperature. We find a critical degree of crystallization, above which the diffusion extent sharply drops with the degree...... of crystallization. Below the critical value, the diffusion extent decreases only slightly with the degree of crystallization. No cationic diffusion is observed in the fully crystalline materials. The critical value might be associated with a percolation transition from an interconnected to a disconnected glass...
Visualization of diffusion mixing in a micro-mixer with flow paths fabricated by photolithography
Horiuchi, Toshiyuki; Morizane, Yuta
2017-09-01
Mixing processes of two liquids were investigated by visualizing the mixing when they were simultaneously injected in a micro-mixer with lithographically fabricated Y-shape flow paths, and the mixing phenomena was analyzed in detail. To visualize the mixing, flows were observed by an optical microscope, and a clearly detectable chemical reaction was utilized. As the two liquids, a transparent aqueous solution of a strong alkali and a phenolphthalein ethanol solution were used. When they were simultaneously injected in Y-shape flow paths of a micro-mixer, they flowed at first in parallel along the joined path as laminar flows. This is because the Reynolds' number became very small caused by the narrow flow-path widths of 50-100 μm. However, because two liquids were always contacted at the boundary, they were gradually mixed by diffusion, and the color of the mixed parts changed to vivid red. For this reason, it was able to measure the diffusion distance from the flow path center. Because the flow speeds were much faster than the diffusion speeds, the area colored in red did not depend on the time but depended on the distance from the joint point. It was known that the distance from the joint point corresponded to the time for mixing the liquids by the diffusion. It was clarified that the diffusion distance x was proportional to the square root of the diffusion time t or the distance from the joint point. The calculated diffusion coefficient D was (0.87-1.00)×10-9 m2/s.
The time-varying shortest path problem with fuzzy transit costs and speedup
Directory of Open Access Journals (Sweden)
Rezapour Hassan
2016-08-01
Full Text Available In this paper, we focus on the time-varying shortest path problem, where the transit costs are fuzzy numbers. Moreover, we consider this problem in which the transit time can be shortened at a fuzzy speedup cost. Speedup may also be a better decision to find the shortest path from a source vertex to a specified vertex.
Adsorbate Diffusion on Transition Metal Nanoparticles
2015-01-01
systematically studied adsorption and diffusion of atomic and diatomic species (H, C, N, O, CO, and NO) on nanometer-sized Pt and Cu nanoparticles with...species and two diatomic molecules (H, C, N, O, CO, and NO) as adsorbates and study the adsorption and diffusion of these adsorbates across the edges...DOE-BES, Division of Chemical Sciences (grant DE-FG02-05ER15731), and by the Air Force Office of Scientific Research under a Basic Research Initiative
Stereological characterization of crack path transitions in ceramic ...
Indian Academy of Sciences (India)
Unknown
study on the glass/10 v% Fe–Co–Ni alloy particulate composites, Jessen and Lewis (1989) also observed diffe- rences in crack path with applied stress intensity. Quantification of the crack path in ceramic composites provides a systematic evaluation of the role played by the different variables involved in the design of these ...
Stereological characterization of crack path transitions in ceramic ...
Indian Academy of Sciences (India)
Unknown
stresses that influence the path of a propagating crack. ... The crack paths in composites were quantified by stereological technique and the proposed theory .... 7. Em = Er. Avoidance. Avoidance. 8. Em > Er. Avoidance. Attraction. 9. Em < Er. Avoidance. Increased attraction. *The magnitude of low and high KI will be different ...
Diffusion of 51Cr along high-diffusivity paths in Ni-Fe alloys
International Nuclear Information System (INIS)
Cermak, J.
1990-01-01
Penetration profiles of 51 Cr in polycrystalline alloys Ni-xFe (x = 0, 20, 40, and 60 wt.% Fe) after diffusion anneals at temperatures between 693 and 1473 K are studied. Sectioning of diffusion zones of samples annealed above 858 K is carried out by grinding, at lower temperatures by DC glow discharge sputtering. The concentration of 51 Cr in depth x is assumed to be proportional to relative radioactivity of individual sections. With help of volume and pipe self-diffusion data taken from literature, the temperature dependence of product P = δD g (δ and D g are grain boundary width and grain boundary diffusion coefficient, respectively) is obtained: P = (2.68 - 0.88 +1.3 ) x 10 -11 exp [-(221.3 ± 3.0) kJ/mol/RT]m 3 /s. This result agrees well with the previous measurements of 51 Cr diffusivity in Fe-18 Cr-12 Ni and Fe-21 Cr-31 Ni. It indicates that the mean chemical composition of Fe-Cr-Ni ternary alloys is not a dominant factor affecting the grain boundary diffusivity of Cr in these alloys. (author)
Transition from diffusive to localized regimes in surface corrugated waveguides
Energy Technology Data Exchange (ETDEWEB)
Garcia-Martin, A.; Saenz, J. J. [Universidad Autonoma de Madrid, Madrid (Spain); Nieto-Vesperinas, M. [Instituto de Ciencias de Materiales de Madrid, Madrid (Spain)
2001-03-01
Exact calculations of transmission and reflection coefficients in surface randomly corrugated waveguides are presented. The elastic scattering of diffuse light classical waves from a rough surface induces a diffusive transport along the waveguide axis. As the length of the corrugated part of the waveguide increases, a transition from the diffusive to the localized regime is observed. This involves an analogy with electron conduction in nano wires, and hence, a concept analogous to that of resistance can be introduced. An oscillatory behavior of different transport properties (elastic mean free path, localization length, enhanced backscattering), versus the wavelength is predicted. An analysis of the transmission coefficients (transmitted speckle) shows that as the length of the corrugated part of the waveguide increases there is a strong preference to forward coupling through the lowest mode. This marks a clear anisotropy in the forward propagation which is absent in the case of volume disorder. The statistics of reflection coefficients is analyzed, first using random matrix theory (Rm) to analytically deduce the probability densities in the localization regime, afterwards exact numerical calculations of the coupling to backward modes in surface corrugated waveguides will be put forward for comparison. We show that the reflected speckle distribution are independent of the transport regime, at variance with the regime transition found in the transmission case. Despite the strong anisotropy, the analysis of the probability distributions of both transmitted and reflected waves confirms the distributions predicted by Random Matrix Theory for volume disorder. [Spanish] Presentamos calculos exactos de los coeficientes de transmision y reflexion en guias de onda con desorden de superficie. La dispersion elastica de luz difusa o de otras ondas clasicas por una superficie rugosa induce un transporte difusivo a lo largo del eje de la guia. A medida que la longitud de la zona
Li, Wenjin
2018-02-01
Transition path ensemble consists of reactive trajectories and possesses all the information necessary for the understanding of the mechanism and dynamics of important condensed phase processes. However, quantitative description of the properties of the transition path ensemble is far from being established. Here, with numerical calculations on a model system, the equipartition terms defined in thermal equilibrium were for the first time estimated in the transition path ensemble. It was not surprising to observe that the energy was not equally distributed among all the coordinates. However, the energies distributed on a pair of conjugated coordinates remained equal. Higher energies were observed to be distributed on several coordinates, which are highly coupled to the reaction coordinate, while the rest were almost equally distributed. In addition, the ensemble-averaged energy on each coordinate as a function of time was also quantified. These quantitative analyses on energy distributions provided new insights into the transition path ensemble.
Directory of Open Access Journals (Sweden)
Dietmar Gerteisen
2013-09-01
Full Text Available In order to model the liquid water transport in the porous materials used in polymer electrolyte membrane (PEM fuel cells, the pore network models are often applied. The presented model is a novel approach to further develop these models towards a percolation model that is based on the fiber structure rather than the pore structure. The developed algorithm determines the stable liquid water paths in the gas diffusion layer (GDL structure and the transitions from the paths to the subsequent paths. The obtained water path network represents the basis for the calculation of the percolation process with low calculation efforts. A good agreement with experimental capillary pressure-saturation curves and synchrotron liquid water visualization data from other literature sources is found. The oxygen diffusivity for the GDL with liquid water saturation at breakthrough reveals that the porosity is not a crucial factor for the limiting current density. An algorithm for condensation is included into the model, which shows that condensing water is redirecting the water path in the GDL, leading to an improved oxygen diffusion by a decreased breakthrough pressure and changed saturation distribution at breakthrough.
Tracer diffusion in an ordered alloy: application of the path probability and Monte Carlo methods
International Nuclear Information System (INIS)
Sato, Hiroshi; Akbar, S.A.; Murch, G.E.
1984-01-01
Tracer diffusion technique has been extensively utilized to investigate diffusion phenomena and has contributed a great deal to the understanding of the phenomena. However, except for self diffusion and impurity diffusion, the meaning of tracer diffusion is not yet satisfactorily understood. Here we try to extend the understanding to concentrated alloys. Our major interest here is directed towards understanding the physical factors which control diffusion through the comparison of results obtained by the Path Probability Method (PPM) and those by the Monte Carlo simulation method (MCSM). Both the PPM and the MCSM are basically in the same category of statistical mechanical approaches applicable to random processes. The advantage of the Path Probability method in dealing with phenomena which occur in crystalline systems has been well established. However, the approximations which are inevitably introduced to make the analytical treatment tractable, although their meaning may be well-established in equilibrium statistical mechanics, sometimes introduce unwarranted consequences the origin of which is often hard to trace. On the other hand, the MCSM which can be carried out in a parallel fashion to the PPM provides, with care, numerically exact results. Thus a side-by-side comparison can give insight into the effect of approximations in the PPM. It was found that in the pair approximation of the CVM, the distribution in the completely random state is regarded as homogeneous (without fluctuations), and hence, the fluctuation in distribution is not well represented in the PPM. These examples thus show clearly how the comparison of analytical results with carefully carried out calculations by the MCSM guides the progress of theoretical treatments and gives insights into the mechanism of diffusion
Bennett, Ilana J; Stark, Craig E L
2016-03-01
Pattern separation describes the orthogonalization of similar inputs into unique, non-overlapping representations. This computational process is thought to serve memory by reducing interference and to be mediated by the dentate gyrus of the hippocampus. Using ultra-high in-plane resolution diffusion tensor imaging (hrDTI) in older adults, we previously demonstrated that integrity of the perforant path, which provides input to the dentate gyrus from entorhinal cortex, was associated with mnemonic discrimination, a behavioral outcome designed to load on pattern separation. The current hrDTI study assessed the specificity of this perforant path integrity-mnemonic discrimination relationship relative to other cognitive constructs (identified using a factor analysis) and white matter tracts (hippocampal cingulum, fornix, corpus callosum) in 112 healthy adults (20-87 years). Results revealed age-related declines in integrity of the perforant path and other medial temporal lobe (MTL) tracts (hippocampal cingulum, fornix). Controlling for global effects of brain aging, perforant path integrity related only to the factor that captured mnemonic discrimination performance. Comparable integrity-mnemonic discrimination relationships were also observed for the hippocampal cingulum and fornix. Thus, whereas perforant path integrity specifically relates to mnemonic discrimination, mnemonic discrimination may be mediated by a broader MTL network. Copyright © 2015 Elsevier Inc. All rights reserved.
Turbine exhaust diffuser flow path with region of reduced total flow area
Orosa, John A.
2012-12-25
An exhaust diffuser system and method for a turbine engine includes an inner boundary and an outer boundary with a flow path defined therebetween. The inner boundary is defined at least in part by a hub that has an upstream end and a downstream end. The outer boundary has a region in which the outer boundary extends radially inward toward the hub. The region can begin at a point that is substantially aligned with the downstream end of the hub or, alternatively, at a point that is proximately upstream of the downstream end of the hub. The region directs at least a portion of an exhaust flow in the diffuser toward the hub. As a result, the exhaust diffuser system and method can achieve the performance of a long hub system while enjoying the costs of a short hub system.
Unified path integral approach to theories of diffusion-influenced reactions.
Prüstel, Thorsten; Meier-Schellersheim, Martin
2017-08-01
Building on mathematical similarities between quantum mechanics and theories of diffusion-influenced reactions, we develop a general approach for computational modeling of diffusion-influenced reactions that is capable of capturing not only the classical Smoluchowski picture but also alternative theories, as is here exemplified by a volume reactivity model. In particular, we prove the path decomposition expansion of various Green's functions describing the irreversible and reversible reaction of an isolated pair of molecules. To this end, we exploit a connection between boundary value and interaction potential problems with δ- and δ^{'}-function perturbation. We employ a known path-integral-based summation of a perturbation series to derive a number of exact identities relating propagators and survival probabilities satisfying different boundary conditions in a unified and systematic manner. Furthermore, we show how the path decomposition expansion represents the propagator as a product of three factors in the Laplace domain that correspond to quantities figuring prominently in stochastic spatially resolved simulation algorithms. This analysis will thus be useful for the interpretation of current and the design of future algorithms. Finally, we discuss the relation between the general approach and the theory of Brownian functionals and calculate the mean residence time for the case of irreversible and reversible reactions.
Directory of Open Access Journals (Sweden)
Srinivas Niranj Chandrasekaran
2016-01-01
Full Text Available PATH rapidly computes a path and a transition state between crystal structures by minimizing the Onsager-Machlup action. It requires input parameters whose range of values can generate different transition-state structures that cannot be uniquely compared with those generated by other methods. We outline modifications to estimate these input parameters to circumvent these difficulties and validate the PATH transition states by showing consistency between transition-states derived by different algorithms for unrelated protein systems. Although functional protein conformational change trajectories are to a degree stochastic, they nonetheless pass through a well-defined transition state whose detailed structural properties can rapidly be identified using PATH.
Technologies and Species Transitions: Polanyi, on a Path to Posthumanity?
Doede, Robert
2011-01-01
Polanyi and Transhumanism both place technologies in pivotal roles in bringing about "Homo sapiens"' species transitions. The question is asked whether Polanyi's emphasis on the role of technology in "Homo sapiens"' rise out of mute beasthood indicates that he might have been inclined to embrace the Transhumanist vision of "Homo sapiens"'…
Youth Transition to Employment in Vietnam: A Vulnerable Path
Tran, Thi Tuyet
2018-01-01
Literature suggests that educational attainment is one of the significant factors affecting youth transition to work. The process of capital accumulation through education is suggested as the key marker of social inclusion and exclusion. This paper compares the educational attainment among youth in Vietnam with their status in employment. It uses…
Unbounded autocatalytic growth on diffusive substrate: The extinction transition
International Nuclear Information System (INIS)
Moalem, Sasi; Shnerb, Nadav M.
2007-01-01
The effect of diffusively correlated spatial fluctuations on the proliferation-extinction transition of autocatalytic agents is investigated numerically. Reactants adaptation to spatio-temporal active regions is shown to lead to proliferation even if the mean field rate equations predict extinction, in agreement with previous theoretical predictions. While in the proliferation phase the system admits a typical time scale that dictates the exponential growth, the extinction times distribution obeys a power law at the parameter region considered
International Nuclear Information System (INIS)
Ishibashi, Masayuki; Sasao, Eiji; Hama, Katsuhiro
2016-01-01
Matrix diffusion is one of the important phenomena for evaluating the safety of the geological disposal of high level waste because it has an effect of retarding mass transport in crystalline rocks. Previous studies indicated that the altered granitic rocks have high retardation functions due to the micropore formation associated with hydrothermal alteration; however, there has not been enough knowledge on the matrix diffusion in weakly unaltered rocks (macroscopically unaltered rocks). Since the macroscopically altered granitic rocks in Japan are likely to be affected by deuteric alteration due to hydrothermal flu resulting from crystallization of granitic magma, it is important to understand the effect of deuteric alteration on the matrix diffusion. Therefore, detailed observations were carried out to clarify the effects of deuteric alteration focused on the macroscopically unaltered granite sampled from 300 m and 500 m below ground levels at the Mizunami Underground Research Laboratory, central Japan. The results provide that the micropores are selectively formed in plagioclases due to deuteric alteration and they have the potential of acting as matrix diffusion paths. This is indicating the possibility that deuteric alteration can retard the mass transport in crystalline rocks in Japan. That plays a significant role in enforcing the barrier function of crystalline rocks. (author)
Reaction-diffusion path planning in a hybrid chemical and cellular-automaton processor
International Nuclear Information System (INIS)
Adamatzky, Andrew; Lacy Costello, Benjamin de
2003-01-01
To find the shortest collision-free path in a room containing obstacles we designed a chemical processor and coupled it with a cellular-automaton processor. In the chemical processor obstacles are represented by sites of high concentration of potassium iodide and a planar substrate is saturated with palladium chloride. Potassium iodide diffuses into the substrate and reacts with palladium chloride. A dark coloured precipitate of palladium iodide is formed almost everywhere except sites where two or more diffusion wavefronts collide. The less coloured sites are situated at the furthest distance from obstacles. Thus, the chemical processor develops a repulsive field, generated by obstacles. A snapshot of the chemical processor is inputted to a cellular automaton. The automaton behaves like a discrete excitable media; also, every cell of the automaton is supplied with a pointer that shows an origin of the cell's excitation. The excitation spreads along the cells corresponding to precipitate depleted sites of the chemical processor. When the destination-site is excited, waves travel on the lattice and update the orientations of the pointers. Thus, the automaton constructs a spanning tree, made of pointers, that guides a traveler towards the destination point. Thus, the automaton medium generates an attractive field and combination of this attractive field with the repulsive field, generated by the chemical processor, provides us with a solution of the collision-free path problem
Energy Technology Data Exchange (ETDEWEB)
Shulenburger, Luke [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mattsson, Thomas Kjell Rene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Desjarlais, Michael Paul [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-01-01
Motivated by the disagreement between recent diffusion Monte Carlo calculations of the phase transition pressure between the ambient and beta-Sn phases of silicon and experiments, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an opportunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation and after removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.
Next step in policy transitions: Diffusion of pilot projects
CSIR Research Space (South Africa)
Vreugdenhil, H
2009-04-01
Full Text Available , Denmark 13 5.3 Pilot project at the Langen Erlen (Basel): Introduction of surface water-groundwater interactions in an urban recharge polder The Wiese is a tributary of the Rhine River that runs through Germany and Switzerland (Figure 5). The ?Langen... such as transitions. We develop a framework on pilot projects that conceptualizes the nature and process of pilot projects (section 3) and diffusion processes (section 4). The framework will be used for analyzing four water management case studies the Rhine Basin...
Transition Analysis and Its Application to Global Path Determination for a Biped Climbing Robot
Directory of Open Access Journals (Sweden)
Haifei Zhu
2018-01-01
Full Text Available Biped climbing robots are considered good assistants and (or substitutes for human workers carrying out high-rise truss-associated routine tasks. Flexible locomotion on three-dimensional complex trusses is a fundamental skill for these robots. In particular, the capability to transit from one structural member to another is paramount for switching objects to be climbed upon. In this paper, we study member-to-member transition and its utility in global path searching for biped climbing robots. To compute operational regions for transition, hierarchical inspection of safety, reachability, and accessibility of grips is taken into account. A novel global path rapid determination approach is subsequently proposed based on the transition analysis. This scheme is efficient for finding feasible routes with respect to the overall structural environment, which also benefits the subsequent grip and motion planning. Simulations are conducted with Climbot, our self-developed biped climbing robot, to verify the efficiency of the presented method. Results show that our proposed method is able to accurately determine the operational region for transition within tens of milliseconds and can obtain global paths within seconds in general.
The CO Transition from Diffuse Molecular Gas to Dense Clouds
Rice, Johnathan S.; Federman, Steven
2017-06-01
The atomic to molecular transitions occurring in diffuse interstellar gas surrounding molecular clouds are affected by the local physical conditions (density and temperature) and the radiation field penetrating the material. Our optical observations of CH, CH^{+}, and CN absorption from McDonald Observatory and the European Southern Observatory are useful tracers of this gas and provide the velocity structure needed for analyzing lower resolution ultraviolet observations of CO and H_{2} absorption from Far Ultraviolet Spectroscopic Explorer. We explore the changing environment between diffuse and dense gas by using the column densities and excitation temperatures from CO and H_{2} to determine the gas density. The resulting gas densities from this method are compared to densities inferred from other methods such as C_{2} and CN chemistry. The densities allow us to interpret the trends from the combined set of tracers. Groupings of sight lines, such as those toward h and χ Persei or Chameleon provide a chance for further characterization of the environment. The Chameleon region in particular helps illuminate CO-dark gas, which is not associated with emission from H I at 21 cm or from CO at 2.6 mm. Expanding this analysis to include emission data from the GOT C+ survey allows the further characterization of neutral diffuse gas, including CO-dark gas.
Preferred diffusion paths for copper electromigration by in situ transmission electron microscopy.
Oh, Young-Hwa; Kim, Sung-Il; Kim, Miyoung; Lee, Seung-Yong; Kim, Young-Woon
2017-10-01
Ionic transport in the reverse direction of an electric field is caused by momentum transfer from free electrons to metal ions, i.e., electromigration (EM), which is a critical factor leading to copper (Cu) interconnect failure in integrated circuits under extreme operating conditions. We investigated Cu self-diffusion paths under electrical bias using in situ transmission electron microscopy (TEM). An electric current was applied to multigrain Cu lines in the TEM instrument for durations of up to the order of 10 4 s to trace EM-induced Cu movement around voids and hillocks. Combining this approach with scanning nanobeam diffraction, we observed that high-angle grain boundaries exposed to the free surface are the most favored paths for Cu EM, rather than a specific orientation within the grain. On hillocks of accumulated Cu atoms, we directly observed grain growth, accompanied by the formation of Σ7 high-mobile and Σ3 twin coincidence site lattice boundaries for effective growth. This study provides insight into the EM mechanism to improve the reliability of metal interconnect design. Copyright © 2017 Elsevier B.V. All rights reserved.
From Continuous to Discontinuous Transitions in Social Diffusion
Directory of Open Access Journals (Sweden)
Paula Tuzón
2018-03-01
Full Text Available Models of social diffusion reflect processes of how new products, ideas, or behaviors are adopted in a population. These models typically lead to a continuous or a discontinuous phase transition of the number of adopters as a function of a control parameter. We explore a simple model of social adoption where the agents can be in two states, either adopters or non-adopters, and can switch between these two states interacting with other agents through a network. The probability of an agent to switch from non-adopter to adopter depends on the number of adopters in her network neighborhood, the adoption threshold T and the adoption coefficient a, two parameters defining a Hill function. In contrast, the transition from adopter to non-adopter is spontaneous at a certain rate μ. In a mean-field approach, we derive the governing ordinary differential equations and show that the nature of the transition between the global non-adoption and global adoption regimes depends mostly on the balance between the probability to adopt with one and two adopters. The transition changes from continuous, via a transcritical bifurcation, to discontinuous, via a combination of a saddle-node and a transcritical bifurcation, through a supercritical pitchfork bifurcation. We characterize the full parameter space. Finally, we compare our analytical results with Monte Carlo simulations on annealed and quenched degree regular networks, showing a better agreement for the annealed case. Our results show how a simple model is able to capture two seemingly very different types of transitions, i.e., continuous and discontinuous and thus unifies underlying dynamics for different systems. Furthermore, the form of the adoption probability used here is based on empirical measurements.
Disorder and diffusion path of mobile ions in ionic conductors. Neutron diffraction studies
International Nuclear Information System (INIS)
Yashima, Masatomo
2006-01-01
We review our recent works on the positional disorder and diffusion path of mobile ions in fast ionic conductors Bi 1.4 Yb 0.6 O 3 and La 0.62 Li 0.16 TiO 3 . These were studied through the nuclear density distribution obtained by a combined technique including the Rietveld refinement, the maximum-entropy method (MEM) and MEM-based pattern fitting of neutron powder diffraction data. The oxide ions in the fluorite-structured Bi 1.4 Yb 0.6 O 3 have a complicated disorder spreading over a wide area, shift to the directions from the ideal fluorite position and diffuse along the directions. At 77 K, the Li cations in the La 0.62 Li 0.16 TiO 3 perovskite are located at the 2c site (Wycoff notation of the Cmmm space group) on the (002) La deficient layer, while at room temperature, they spread over a wide area and migrate following the 2c-4f-2c or 2c-2d-2c tie line on the (002) layer. (author)
Meerson, Baruch; Smith, Naftali R.
2018-01-01
De la Cruz et al. [Phys. Rev. Lett. 120, 128102 (2018); arXiv:1705.08683] studied a noise-induced transition in an oscillating stochastic population undergoing birth- and death-type reactions. They applied the Freidlin-Wentzell WKB formalism to determine the most probable path to the noise-induced escape from a limit cycle predicted by deterministic theory, and to find the probability distribution of escape time. Here we raise a number of objections to their calculations.
Transitions in Structure in Oil-in-Water Emulsions As Studied by Diffusing Wave Spectroscopy
Ruis, H.G.M.; Gruijthuijsen, van K.; Venema, P.; Linden, van der E.
2007-01-01
Transitions in structure of sodium caseinate stabilized emulsions were studied using conventional rheometry as well as diffusing wave spectroscopy (DWS). Structural differences were induced by different amounts of stabilizer, and transitions in structure were induced by acidification. Special
Gao, Xiangyun; Huang, Shupei; Sun, Xiaoqi; Hao, Xiaoqing; An, Feng
2018-03-01
Microscopic factors are the basis of macroscopic phenomena. We proposed a network analysis paradigm to study the macroscopic financial system from a microstructure perspective. We built the cointegration network model and the Granger causality network model based on econometrics and complex network theory and chose stock price time series of the real estate industry and its upstream and downstream industries as empirical sample data. Then, we analysed the cointegration network for understanding the steady long-term equilibrium relationships and analysed the Granger causality network for identifying the diffusion paths of the potential risks in the system. The results showed that the influence from a few key stocks can spread conveniently in the system. The cointegration network and Granger causality network are helpful to detect the diffusion path between the industries. We can also identify and intervene in the transmission medium to curb risk diffusion.
Jang, Seogjoo; Voth, Gregory A.
1998-03-01
The recombination of two lithium atoms trapped in one-vacancy defect sites of solid para-hydrogen at 4 K and zero external pressure is studied as a quantum activated process. The quantum activation free energy is calculated using path integral quantum transition state theory along with the method of path integral molecular dynamics simulation. The equilibrium volume of the system is determined by a constant pressure method that scales the sides of the rectangular simulation box. At a fixed equilibrium volume of the system, a constraint dynamics path integral simulation is then employed to determine the quantum path centroid free energy barrier along the reaction coordinate, which is taken to be the relative Li-Li separation. The two lithium atoms begin to recombine at a distance of approximately twice the lattice spacing, and the height of the barrier relative to the metastable well is 78±10 K. The rate of the intrinsic recombination step is estimated to be 1.3×103s-1 at 4 K. It is found that the lithium nuclei exhibit significant tunneling behavior over their classical limit.
Petoukhova, A. L.; Steenbergen, W.; van Leeuwen, T. G.; de Mul, F. F. M.
2002-01-01
A low coherence Mach-Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scattered photons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various
Petoukhova, Anna; Steenbergen, Wiendelt; van Leeuwen, Ton; de Mul, F.F.M.
2002-01-01
A low coherence Mach–Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scatteredphotons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various
Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory.
Banerjee, Rahul; Cukier, Robert I
2014-03-20
Conformational states and their interconversion pathways of the zwitterionic form of the pentapeptide Met-enkephalin (MetEnk) are identified. An explicit solvent molecular dynamics (MD) trajectory is used to construct a Markov state model (MSM) based on dihedral space clustering of the trajectory, and transition path theory (TPT) is applied to identify pathways between open and closed conformers. In the MD trajectory, only four of the eight backbone dihedrals exhibit bistable behavior. Defining a conformer as the string XXXX with X = "+" or "-" denoting, respectively, positive or negative values of a given dihedral angle and obtaining the populations of these conformers shows that only four conformers are highly populated, implying a strong correlation among these dihedrals. Clustering in dihedral space to construct the MSM finds the same four bistable dihedral angles. These state populations are very similar to those found directly from the MD trajectory. TPT is used to obtain pathways, parametrized by committor values, in dihedral state space that are followed in transitioning from closed to open states. Pathway costs are estimated by introducing a kinetics-based procedure that orders pathways from least (shortest) to greater cost paths. The least costly pathways in dihedral space are found to only involve the same XXXX set of dihedral angles, and the conformers accessed in the closed to open transition pathways are identified. For these major pathways, a correlation between reaction path progress (committors) and the end-to-end distance is identified. A dihedral space principal component analysis of the MD trajectory shows that the first three modes capture most of the overall fluctuation, and pick out the same four dihedrals having essentially all the weight in those modes. A MSM based on root-mean-square backbone clustering was also carried out, with good agreement found with dihedral clustering for the static information, but with results that differ
Survey of Retired Military Pharmacist's Transition to a Civilian Pharmacy Career Path.
Bennett, David; Wellman, Greg; Mahmood, Maysaa; Freye, Ryan; Remund, Daniel; Samples, Phil L
2015-12-01
To explore variables relevant to transition to civilian pharmacy career path for retiring military pharmacists. A cross-sectional survey was designed to collect information from retired military pharmacists including demographics, military service information, postretirement employment and perceptions of transition, satisfaction, level of responsibility, work environment, rewards (level of financial compensation, opportunities for professional development and career advancement, health benefits), and level of supervisory support. The questionnaire also included additional items asking about their perception of their military experience, transition to civilian work and the impact the military career had on their personal and family life. Respondents included 140 retired pharmacists from the U.S. Army, Navy, Air Force, or Coast Guard. Factors found to be significant predictors of transition to civilian career included: bureaucracy in current job, time elapsed since retirement, extent to which an individual misses military structure and chain of command, access to military facilities and Veterans Administration benefits, and reporting little or no stress in committed long-term personal relationship while in the military. Findings suggest that the majority of retired military pharmacists perceived the transition to civilian professional sector was about what they expected or easier than expected. Reprint & Copyright © 2015 Association of Military Surgeons of the U.S.
Optimization of the transition path of the head hardening with using the genetic algorithms
Wróbel, Joanna; Kulawik, Adam
2016-06-01
An automated method of choice of the transition path of the head hardening in heat treatment process for the plane steel element is proposed in this communication. This method determines the points on the path of moving heat source using the genetic algorithms. The fitness function of the used algorithm is determined on the basis of effective stresses and yield point depending on the phase composition. The path of the hardening tool and also the area of the heat affected zone is determined on the basis of obtained points. A numerical model of thermal phenomena, phase transformations in the solid state and mechanical phenomena for the hardening process is implemented in order to verify the presented method. A finite element method (FEM) was used for solving the heat transfer equation and getting required temperature fields. The moving heat source is modeled with a Gaussian distribution and the water cooling is also included. The macroscopic model based on the analysis of the CCT and CHT diagrams of the medium-carbon steel is used to determine the phase transformations in the solid state. A finite element method is also used for solving the equilibrium equations giving us the stress field. The thermal and structural strains are taken into account in the constitutive relations.
Novikov, S. V.
2018-01-01
Diffusive transport of a particle in a spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime for the 1D transport model and found that for slow decaying correlation functions the diffusivity becomes singular at some particular temperature higher than the temperature of the transition to the true non-equilibrium dispersive transport regime. It means that the diffusion becomes anomalous and does not follow the usual ∝ t1/2 law. In such situation, the fully developed non-equilibrium regime emerges in two stages: first, at some temperature there is the transition from the normal to anomalous diffusion, and then at lower temperature the average velocity for the infinite medium goes to zero, thus indicating the development of the true dispersive regime. Validity of the Einstein relation is discussed for the situation where the diffusivity does exist. We provide also some arguments in favor of conservation of the major features of the new transition scenario in higher dimensions.
Rydzewski, J; Nowak, W
2016-04-12
In this work we propose an application of a nonlinear dimensionality reduction method to represent the high-dimensional configuration space of the ligand-protein dissociation process in a manner facilitating interpretation. Rugged ligand expulsion paths are mapped into 2-dimensional space. The mapping retains the main structural changes occurring during the dissociation. The topological similarity of the reduced paths may be easily studied using the Fréchet distances, and we show that this measure facilitates machine learning classification of the diffusion pathways. Further, low-dimensional configuration space allows for identification of residues active in transport during the ligand diffusion from a protein. The utility of this approach is illustrated by examination of the configuration space of cytochrome P450cam involved in expulsing camphor by means of enhanced all-atom molecular dynamics simulations. The expulsion trajectories are sampled and constructed on-the-fly during molecular dynamics simulations using the recently developed memetic algorithms [ Rydzewski, J.; Nowak, W. J. Chem. Phys. 2015 , 143 ( 12 ), 124101 ]. We show that the memetic algorithms are effective for enforcing the ligand diffusion and cavity exploration in the P450cam-camphor complex. Furthermore, we demonstrate that machine learning techniques are helpful in inspecting ligand diffusion landscapes and provide useful tools to examine structural changes accompanying rare events.
International Nuclear Information System (INIS)
Tardiveau, P; Moreau, N; Bentaleb, S; Postel, C; Pasquiers, S
2009-01-01
The dynamics of a point-to-plane corona discharge induced in high pressure air under nanosecond scale high overvoltage is investigated. The electrical and optical properties of the discharge can be described in space and time with fast and precise current measurements coupled to gated and intensified imaging. Under atmospheric pressure, the discharge exhibits a diffuse pattern like a multielectron avalanche propagating through a direct field ionization mechanism. The diffuse regime can exist since the voltage rise time is much shorter than the characteristic time of the field screening effects, and as long as the local field is higher than the critical ionization field in air. As one of these conditions is not fulfilled, the discharge turns into a multi-channel regime and the diffuse-to-filamentary transition strongly depends on the overvoltage, the point-to-plane gap length and the pressure. When pressure is increased above atmospheric pressure, the diffuse stage and its transition to streamers seem to satisfy similarity rules as the key parameter is the reduced critical ionization field only. However, above 3 bar, neither diffuse avalanche nor streamer filaments are observed but a kind of streamer-leader regime, due to the fact that mechanisms such as photoionization and heat diffusion are not similar to pressure.
Tardiveau, P.; Moreau, N.; Bentaleb, S.; Postel, C.; Pasquiers, S.
2009-09-01
The dynamics of a point-to-plane corona discharge induced in high pressure air under nanosecond scale high overvoltage is investigated. The electrical and optical properties of the discharge can be described in space and time with fast and precise current measurements coupled to gated and intensified imaging. Under atmospheric pressure, the discharge exhibits a diffuse pattern like a multielectron avalanche propagating through a direct field ionization mechanism. The diffuse regime can exist since the voltage rise time is much shorter than the characteristic time of the field screening effects, and as long as the local field is higher than the critical ionization field in air. As one of these conditions is not fulfilled, the discharge turns into a multi-channel regime and the diffuse-to-filamentary transition strongly depends on the overvoltage, the point-to-plane gap length and the pressure. When pressure is increased above atmospheric pressure, the diffuse stage and its transition to streamers seem to satisfy similarity rules as the key parameter is the reduced critical ionization field only. However, above 3 bar, neither diffuse avalanche nor streamer filaments are observed but a kind of streamer-leader regime, due to the fact that mechanisms such as photoionization and heat diffusion are not similar to pressure.
Dzierlenga, Michael W; Antoniou, Dimitri; Schwartz, Steven D
2015-04-02
The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human heart lactate dehydrogenase (LDH). Calculation of the work applied to the hydride allowed for observation of the change in barrier height upon inclusion of quantum dynamics. Similar calculations were performed using deuterium as the transferring particle in order to approximate kinetic isotope effects (KIEs). The change in barrier height in YADH is indicative of a zero-point energy (ZPE) contribution and is evidence that catalysis occurs via a protein compression that mediates a near-barrierless hydride transfer. Calculation of the KIE using the difference in barrier height between the hydride and deuteride agreed well with experimental results.
Transition to finger convection in double-diffusive convection
Kellner, M.; Tilgner, A.
2014-01-01
Finger convection is observed experimentally in an electrodeposition cell in which a destabilizing gradient of copper ions is maintained against a stabilizing temperature gradient. This double-diffusive system shows finger convection even if the total density stratification is unstable. Finger convection is replaced by an ordinary convection roll if convection is fast enough to prevent sufficient heat diffusion between neighboring fingers, or if the thermal buoyancy force is less than 1/30 of...
Diffusion-based path planning in mobile actuator-sensor networks (MAS-net): some preliminary results
Moore, Kevin L.; Chen, YangQuan; Song, Zhen
2004-04-01
In this paper we present preliminary results related to path-planning problems when it is known that the quantities of interest in the system are generated via a diffusion process. The use of mobile sensor-actuator networks (MAS-Net) is proposed for such problems. A discussion of such networks is given, followed by a description of the general framework of the problem. Our strategy assumes that a network of mobile sensors can be commanded to collect samples of the distribution of interest. These samples are then used as constraints for a predictive model of the process. The predicted distribution from the model is then used to determine new sampling locations. A 2-D testbed for studying these ideas is described. The testbed includes a network of ten robots operating as a network using Intel Motes. We also present simulation results from our initial partial differential equation model of the diffusion process in the testbed.
Brás, Natércia F; Fernandes, Pedro A; Ramos, Maria J; Schwartz, Steven D
2018-02-06
Human α-phosphoglucomutase 1 (α-PGM) catalyzes the isomerization of glucose-1-phosphate into glucose-6-phosphate (G6P) through two sequential phosphoryl transfer steps with a glucose-1,6-bisphosphate (G16P) intermediate. Given that the release of G6P in the gluconeogenesis raises the glucose output levels, α-PGM represents a tempting pharmacological target for type 2 diabetes. Here, we provide the first theoretical study of the catalytic mechanism of human α-PGM. We performed transition-path sampling simulations to unveil the atomic details of the two catalytic chemical steps, which could be key for developing transition state (TS) analogue molecules with inhibitory properties. Our calculations revealed that both steps proceed through a concerted S N 2-like mechanism, with a loose metaphosphate-like TS. Even though experimental data suggests that the two steps are identical, we observed noticeable differences: 1) the transition state ensemble has a well-defined TS region and a late TS for the second step, and 2) larger coordinated protein motions are required to reach the TS of the second step. We have identified key residues (Arg23, Ser117, His118, Lys389), and the Mg 2+ ion that contribute in different ways to the reaction coordinate. Accelerated molecular dynamics simulations suggest that the G16P intermediate may reorient without leaving the enzymatic binding pocket, through significant conformational rearrangements of the G16P and of specific loop regions of the human α-PGM. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Phase Transition in Opinion Diffusion in Social Networks
2012-05-01
Opinion Diffusion In Social Networks 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER...6. CONCLUSION We proposed a hard-interaction model for social networks and ana- lyzed its convergence properties in terms of the expected initial
Self-diffusion on copper surfaces
DEFF Research Database (Denmark)
Hansen, L.; Stoltze, Per; Jacobsen, Karsten Wedel
1991-01-01
The diffusion paths and activation energies of a Cu adatom on Cu(100), Cu(111), and Cu(110) are studied using the effective-medium theory to calculate the energetics. For the (100) and (110) faces, diffusion via an exchange mechanism is found to be important. The transition state for these paths ...
Biryukov, Alexander; Degtyareva, Yana
2017-10-01
The probabilities of molecular quantum transitions induced by electromagnetic field are expressed as path integrals of a real alternating functional. We propose a new method for computing these integrals by means of recurrence relations. We apply this approach to description of the two-photon Rabi oscillations.
Non-parametric Estimation of Diffusion-Paths Using Wavelet Scaling Methods
DEFF Research Database (Denmark)
Høg, Esben
In continuous time, diffusion processes have been used for modelling financial dynamics for a long time. For example the Ornstein-Uhlenbeck process (the simplest mean-reverting process) has been used to model non-speculative price processes. We discuss non--parametric estimation of these processes...
Non-Parametric Estimation of Diffusion-Paths Using Wavelet Scaling Methods
DEFF Research Database (Denmark)
Høg, Esben
2003-01-01
In continuous time, diffusion processes have been used for modelling financial dynamics for a long time. For example the Ornstein-Uhlenbeck process (the simplest mean--reverting process) has been used to model non-speculative price processes. We discuss non--parametric estimation of these processes...
Hernandez-Charpak, J.; Hoogeboom-Pot, K.; Anderson, E.; Murnane, M.; Kapteyn, H.; Nardi, D.
2014-03-01
How is thermal transport affected by spatial confinement in nanoscale systems? In past work we and others demonstrated that the Fourier Law of heat diffusion fails for length scales smaller than the mean free path of the energy carriers in a material. Here we probe how the transition from macroscopic diffusive behavior of phonons through the quasi-ballistic regime is different for 1D and 2D nano-confined hot spots. We study a series of periodic nickel lines (1D) and dots (2D) with linewidths varying from 750 to 30 nm deposited on both sapphire and silicon substrates. The thermal relaxation of these femtosecond-laser-excited nanostructures is monitored by the diffraction of extreme ultraviolet (EUV) light obtained from tabletop high harmonic generation. The short wavelength of EUV light, combined with the coherence and ultrashort pulses of high harmonic sources, provides a unique and powerful probe for nanostructured materials on their intrinsic length and time scales. The relaxation dynamics are linked to an effective thermal boundary resistivity with the assistance of multi-physics finite element analysis to quantify the stronger deviation from macroscopic diffusive behavior as a function of nanostructure linewidth in 2D hot spots compared to 1D. This work was supported by SRC Contract 2012-OJ-2304, by NSF Award No.: DGE 1144083, and used facilities provided by the NSF Engineering Research Center in EUV Science and Technology.
Transition path sampling with quantum/classical mechanics for reaction rates.
Gräter, Frauke; Li, Wenjin
2015-01-01
Predicting rates of biochemical reactions through molecular simulations poses a particular challenge for two reasons. First, the process involves bond formation and/or cleavage and thus requires a quantum mechanical (QM) treatment of the reaction center, which can be combined with a more efficient molecular mechanical (MM) description for the remainder of the system, resulting in a QM/MM approach. Second, reaction time scales are typically many orders of magnitude larger than the (sub-)nanosecond scale accessible by QM/MM simulations. Transition path sampling (TPS) allows to efficiently sample the space of dynamic trajectories from the reactant to the product state without an additional biasing potential. We outline here the application of TPS and QM/MM to calculate rates for biochemical reactions, by means of a simple toy system. In a step-by-step protocol, we specifically refer to our implementation within the MD suite Gromacs, which we have made available to the research community, and include practical advice on the choice of parameters.
International Nuclear Information System (INIS)
Faaij, A.
2006-12-01
The main objective of the activities described in this document is to formulate a transition path for realizing sustainable biomass import chains. The following elements are crucial in this process: definition of required activities (research, demonstration, technology development), as well as a description of main uncertainties and barriers; setting up a time path and assessing costs (government investments and market investments); and engaging the main actors in the Netherlands, making an inventory of the current positions and motivation to contribute to the realization of sustainable biomass import chains. This document sketches a road map for the development of sustainable biomass import capacity in time, especially from a national point of view. [mk] [nl
Analysis of diffusion paths for photovoltaic technology based on experience curves
International Nuclear Information System (INIS)
Poponi, Daniele
2003-04-01
This paper assesses the prospects for diffusion of photovoltaic (PV) technology for electricity generation in grid-connected systems. The analysis begins with the calculation of the break-even price of PV systems and modules, which is the price that can assure commercial viability without incentives or subsidies. The calculated average break-even price of PV systems for building-integrated applications is about US dollars 3.2/W p but can go up to about US dollars 4.5/W p in areas with very good solar irradiation and if a low real discount rate is applied. These are higher values than the break-even prices estimated in the literature to date. PV system break-even prices for intermediate load generation in utility-owned systems are also calculated, their average being about US dollars 1/W p The methodology of experience curves is used to predict what would be the different levels of cumulative world PV shipments required to reach the calculated break-even prices of PV systems, assuming different trends in the relationship between price and the increase in cumulative shipments. The years in which the break-even levels of cumulative shipments could be theoretically obtained are then calculated by considering different market growth rates. Photovoltaics could enter the niche of building-integrated applications without incentives in the first years of the next decade, provided that the PR is 80% and the average annual world market growth rate is at least 15%. The final part of the paper analyzes the niche markets or applications that seem promising for the diffusion of photovoltaics in the next few years (Author)
Study by neutron diffusion of local order liquid sulfur around the polymerization transition
International Nuclear Information System (INIS)
Descotes, L.
1994-05-01
We studied the liquid sulfur according to the temperature. The sulfur is one of the most complicated elementary liquid. We experimented the neutron diffusion by the powder orthorhombic sulfur. The complexity at the polymerization transition are only accompanied by weak local structural transfer. 231 refs., 48 figs., 8 tabs., 3 annexes
Dynamical phase transitions in the current distribution of driven diffusive channels
Baek, Yongjoo; Kafri, Yariv; Lecomte, Vivien
2018-03-01
We study singularities in the large deviation function of the time-averaged current of diffusive systems connected to two reservoirs. A set of conditions for the occurrence of phase transitions, both first and second order, are obtained by deriving Landau theories. First-order transitions occur in the absence of a particle-hole symmetry, while second-order occur in its presence and are associated with a symmetry breaking. The analysis is done in two distinct statistical ensembles, shedding light on previous results. In addition, we also provide an exact solution of a model exhibiting a second-order symmetry-breaking transition.
Transition of carbon nanostructures in heptane diffusion flames
Energy Technology Data Exchange (ETDEWEB)
Hu, Wei-Chieh [National Cheng Kung University, Department of Mechanical Engineering (China); Hou, Shuhn-Shyurng [Kun Shan University, Department of Mechanical Engineering (China); Lin, Ta-Hui, E-mail: thlin@mail.ncku.edu.tw [National Cheng Kung University, Department of Mechanical Engineering (China)
2017-02-15
The flame synthesis has high potential in industrial production of carbon nanostructure (CNS). Unfortunately, the complexity of combustion chemistry leads to less controlling of synthesized products. In order to improve the understanding of the relation between flames and CNSs synthesized within, experiments were conducted through heptane flames in a stagnation-point liquid-pool system. The operating parameters for the synthesis include oxygen supply, sampling position, and sampling time. Two kinds of nanostructures were observed, carbon nanotube (CNT) and carbon nano-onion (CNO). CNTs were synthesized in a weaker flame near extinction. CNOs were synthesized in a more sooty flame. The average diameter of CNTs formed at oxygen concentration of 15% was in the range of 20–30 nm. For oxygen concentration of 17%, the average diameter of CNTs ranged from 24 to 27 nm, while that of CNOs was around 28 nm. For oxygen concentration of 19%, the average diameter of CNOs produced at the sampling position 0.5 mm below the flame front was about 57 nm, while the average diameters of CNOs formed at the sampling positions 1–2.5 mm below the flame front were in the range of 20–25 nm. A transition from CNT to CNO was observed by variation of sampling position in a flame. We found that the morphology of CNS is directly affected by the presence of soot layer due to the carbonaceous environment and the growth mechanisms of CNT and CNO. The sampling time can alter the yield of CNSs depending on the temperature of sampling position, but the morphology of products is not affected.
Directory of Open Access Journals (Sweden)
Nils E. R. Zimmermann
2017-11-01
Full Text Available Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP database (61,422 compounds for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.
Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores
International Nuclear Information System (INIS)
Perriot, Romain; Dholabhai, Pratik P.; Uberuaga, Blas P.
2017-01-01
In this paper, we use molecular dynamics simulations to investigate the role of grain boundaries (GBs) on ionic diffusion in pyrochlores, as a function of the GB type, chemistry of the compound, and level of cation disorder. We observe that the presence of GBs promotes oxygen transport in ordered and low-disordered systems, as the GBs are found to have a higher concentration of mobile carriers with higher mobilities than in the bulk. Thus, in ordered samples, the ionic diffusion is 2D, localized along the grain boundary. When cation disorder is introduced, bulk carriers begin to contribute to the overall diffusion, while the GB contribution is only slightly enhanced. In highly disordered samples, the diffusive behavior at the GBs is bulk-like, and the two contributions (bulk vs. GB) can no longer be distinguished. There is thus a transition from 2D/GB dominated oxygen diffusivity to 3D/bulk dominated diffusivity versus disorder in pyrochlores. Finally, these results provide new insights into the possibility of using internal interfaces to enhance ionic conductivity in nanostructured complex oxides.
Cycles and transitivity by monochromatic paths in arc-coloured digraphs
Directory of Open Access Journals (Sweden)
Enrique Casas-Bautista
2015-11-01
The result by Sands et al. (1982 that asserts: Every 2-coloured digraph has a kernel by monochromatic paths, and the result by Galeana-Sánchez et al. (2011 that asserts: If D is a finite m-coloured digraph that admits a partition {C1,C2} of the set of colours of D such that for each i∈{1,2} every cycle in the subdigraph D[Ci] spanned by the arcs with colours in Ci is monochromatic, C(D does not contain neither rainbow triangles nor rainbow P3⃗ (path of length 3 involving colours of both C1 and C2; then D has a kernel by monochromatic paths.
DEFF Research Database (Denmark)
Laursen, Mads Brink; Fernandes, Frederico Augusto Pires; Christiansen, Thomas Lundin
2015-01-01
Hard wear resistant surface layers of transition metal carbides can be produced by thermo-reactive diffusion processes where interstitial elements from a steel substrate together with external sources of transition metals (Ti, V, Cr etc.) form hard carbide and/or nitride layers at the steel surface....... In this study halide-activated pack cementation techniques were used on tool steel Vanadis 6 and martensitic stainless steel AISI 420 in order to produce hard layers of titanium carbide (TiC), vanadium carbide (V8C7) and chromium carbides (Cr23C6 and Cr7C3). Surface layers were characterized by scanning...... electron microscopy, X-ray diffraction and Vickers hardness testing. The study shows that porosityfree, homogenous and very hard surface layers can be produced by thermo-reactive diffusion processes. The carbon availability of the substrate influences thickness of obtained layers, as Vanadis 6 tool steel...
Jang, Seogjoo; Voth, Gregory A
2017-05-07
Despite the fact that quantum mechanical principles do not allow the establishment of an exact quantum analogue of the classical transition state theory (TST), the development of a quantum TST (QTST) with a proper dynamical justification, while recovering the TST in the classical limit, has been a long standing theoretical challenge in chemical physics. One of the most recent efforts of this kind was put forth by Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)], which can be specified for any cyclically invariant dividing surface defined in the space of the imaginary time path integral. The present work revisits the issue of the non-uniqueness of QTST and provides a detailed theoretical analysis of HA-QTST for a general class of such path integral dividing surfaces. While we confirm that HA-QTST reproduces the result based on the ring polymer molecular dynamics (RPMD) rate theory for dividing surfaces containing only a quadratic form of low frequency Fourier modes, we find that it produces different results for those containing higher frequency imaginary time paths which accommodate greater quantum fluctuations. This result confirms the assessment made in our previous work [Jang and Voth, J. Chem. Phys. 144, 084110 (2016)] that HA-QTST does not provide a derivation of RPMD-TST in general and points to a new ambiguity of HA-QTST with respect to its justification for general cyclically invariant dividing surfaces defined in the space of imaginary time path integrals. Our analysis also offers new insights into similar path integral based QTST approaches.
The glass transition and diffusion in simulated liquid TiO{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Vo Van Hoang [Department of Physics, Institute of Technology, National University of HochiMinh City, 268 Ly Thuong Kiet Street, District 10, HochiMinh City (Viet Nam)
2007-10-17
The glass transition and diffusion in liquid TiO{sub 2} have been studied in a model containing 3000 atoms via molecular dynamics (MD) simulation. The density dependence of the glass transition temperature, T{sub g}, of liquid TiO{sub 2} has been found and is discussed. Diffusion of atomic species in 3.80 g cm{sup -3} TiO{sub 2} models has been investigated over a wide temperature range from 2100 to 7000 K. We found that the temperature dependence of the diffusion constant of atomic species follows an Arrhenius law at relatively low temperatures above the melting point, and at higher temperatures it deviates from an Arrhenius law. Differences between the structures of amorphous TiO{sub 2} models at three different densities in the range from 3.80 to 4.20 g cm{sup -3} have been found and are discussed. In addition, a transition from a low-density liquid (ldl) form to a high-density liquid (hdl) form was found and is discussed.
Establishing the kinetics of ballistic-to-diffusive transition using directional statistics
Liu, Pai; Heinson, William R.; Sumlin, Benjamin J.; Shen, Kuan-Yu; Chakrabarty, Rajan K.
2018-04-01
We establish the kinetics of ballistic-to-diffusive (BD) transition observed in two-dimensional random walk using directional statistics. Directional correlation is parameterized using the walker's turning angle distribution, which follows the commonly adopted wrapped Cauchy distribution (WCD) function. During the BD transition, the concentration factor (ρ) governing the WCD shape is observed to decrease from its initial value. We next analytically derive the relationship between effective ρ and time, which essentially quantifies the BD transition rate. The prediction of our kinetic expression agrees well with the empirical datasets obtained from correlated random walk simulation. We further connect our formulation with the conventionally used scaling relationship between the walker's mean-square displacement and time.
Research of low-carbon transition path of star hotels--A case study of Guilin
Tang Fengling
2016-01-01
A general trend of the world economic development is the low-carbon economic transition. With a wide influencing range and rapid development, the hotel industry has prominent problems in the energy con-sumption, resources occupancy and environmental unfriendliness, so it is imperative to develop low-carbon ho-tels. This paper proposes the low-carbon transition of the star hotels in Guilin in terms of constructing the energy conservation and innovative management mode, adopting new technologie...
Zehe, Erwin; Jackisch, Conrad; Rodriguez, Nicolas; Klaus, Julian
2017-04-01
Only a minute amount of global fresh water is stored in the unsaturated zone. Yet this tiny compartment controls soil microbial activity and associated trace gas emissions, transport and transformations of contaminants, plant productivity, runoff generation and groundwater recharge. To date, the processes controlling renewal and age of different fractions of the soil water stock are far from being understood. Current theories and process concepts were largely inferred either from over-simplified laboratory experiments, or non-exhaustive point observations and tracer data in the field. Tracer data provide key but yet integrated information about the distribution of travel times of the tracer molecules to a certain depth or on their travel depth distribution within a given time. We hence are able to observe the "effect" of soil structure i.e. partitioning of infiltrating water between fast preferential and slow flow paths and imperfect subsequent mixing between these flow paths in the subsurface and the related plant water uptake. However, we are not able to study the "cause" - because technologies for in-situ observations of flow, flow path topology and exchange processes at relevant interfaces have up to now not been at hand. In the present study we will make use of a Lagrangian model for subsurface water dynamics to explore how subsurface heterogeneity and mixing among different storage fractions affects residence time distribution in the unsaturated zone in a forward approach. Soil water is represented by particles of constant mass, which travel according to the Itô form of the Fokker Planck equation. The model concept builds on established soil physics by estimating the drift velocity and the diffusion term based on the soil water characteristics. The model has been shown to simulate capillary driven soil moisture dynamics in good accordance with a) the Richards equation and b) observed soil moisture data in different soil. The particle model may furthermore
Energy Technology Data Exchange (ETDEWEB)
Merkel, D G; Sajti, S; Fetzer, C; Tancziko, F; Bottyan, L [KFKI Research Institute for Particle and Nuclear Physics, P.O.B 49, H-1525, Budapest (Hungary); Major, J; Major, M; Ruehm, A [Max-Planck-Institut fuer Metallforschung, Heisenbergstr. 3, D-70569 Stuttgart (Germany); Rueffer, R; Stankov, S, E-mail: merkel@rmki.kfki.h [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble CEDEX 9 (France)
2010-02-01
FePt, FePd, CoPt, and CoPd in equilibrium exhibit the L1{sub 0} structure with high perpendicular magnetic anisotropy making them attractive candidates for high-density magnetic recording. Magnetic properties of these films depend on the distribution and orientation of the L1{sub 0} fraction controlled by diffusion on atomic scale. Epitaxial isotope-periodic {sup nat}FePd/{sup 57}FePd alloy films were prepared by molecular beam epitaxy and heat treated at 500{sup 0}C for various retention times. Isotope-sensitive non-destructive methods, neutron reflectometry and synchrotron Moessbauer reflectometry were applied to follow very short diffusion paths normal to the film plane. Squared diffusion lengths and diffusion profiles were obtained from the fitting of experimental reflectivity curves for each annealing treatment steps. The somewhat different diffusion lengths obtained for the neutron and synchrotronMoessbauer reflectograms of the same samples are explained by the larger footprint of the sample in the neutron experiment for which interface inhomogeneities are to be averaged. Diffusion in the microscopically different local environments were modelled by piecewise constant diffusion coefficients in the regions identified as different species by conversion electron Moessbauer spectroscopy.
Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions
International Nuclear Information System (INIS)
Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G.; Hummer, Gerhard
2014-01-01
Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space
Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions
Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G.; Hummer, Gerhard
2014-09-01
Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.
Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions.
Nedialkova, Lilia V; Amat, Miguel A; Kevrekidis, Ioannis G; Hummer, Gerhard
2014-09-21
Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small--but nontrivial--differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.
Critical behavior in reaction-diffusion systems exhibiting absorbing phase transition
Ódor, G
2003-01-01
Phase transitions of reaction-diffusion systems with site occupation restriction and with particle creation that requires n>1 parents and where explicit diffusion of single particles (A) exists are reviewed. Arguments based on mean-field approximation and simulations are given which support novel kind of non-equilibrium criticality. These are in contradiction with the implications of a suggested phenomenological, multiplicative noise Langevin equation approach and with some of recent numerical analysis. Simulation results for the one and two dimensional binary spreading 2A -> 4A, 4A -> 2A model display a new type of mean-field criticality characterized by alpha=1/3 and beta=1/2 critical exponents suggested in cond-mat/0210615.
Batzias, Dimitris F.; Pollalis, Yannis A.
2012-12-01
In several cases, a competitive market can be simulated by a game, where each company/opponent is referred to as a player. In order to accommodate the fact that each player (alone or with alliances) is working against some others' interest, the rather conservative maximin criterion is frequently used for selecting the strategy or the combination of strategies that yield the best of the worst possible outcomes for each one of the players. Under this criterion, an optimal solution is obtained when neither player finds it beneficial to alter his strategy, which means that an equilibrium has been achieved, giving also the value of the game. If conditions change as regards a player, e.g., because of either achieving an unexpected successful result in developing an innovative industrial product or obtaining higher liquidity permitting him to increase advertisement in order to acquire a larger market share, then a new equilibrium is reached. The identification of the path between the old and the new equilibrium points may prove to be valuable for investigating the robustness of the solution by means of sensitivity analysis, since uncertainty plays a critical role in this situation, where evaluation of the payoff matrix is usually based on experts' estimates. In this work, the development of a standard methodology (including 16 activity stages and 7 decision nodes) for tracing this path is presented while a numerical implementation follows to prove its functionality.
Varghese, Babu; Rajan, Vinayakrishnan; van Leeuwen, Ton; Steenbergen, Wiendelt
2007-01-01
The performance of a graded index multimode fiber optic low coherence Mach-Zehnder interferometer with phase modulation is analyzed. Investigated aspects were its ability to measure path length distributions and to perform path length resolved Doppler measurements of multiple scattered photons in a
Varghese, Babu; Rajan, Vinayakrishnan; van Leeuwen, Ton G.; Steenbergen, Wiendelt
2007-01-01
The performance of a graded index multimode fiber optic low coherence Mach-Zehnder interferometer with phase modulation is analyzed. Investigated aspects were its ability to measure path length distributions and to perform path length resolved Doppler measurements of multiple scattered photons in a
Transitional Patterns of Adolescent Females in Non-Traditional Career Paths.
Ciccocioppo, Anna-Lisa; Stewin, Leonard L.; Madill, Helen M.; Montgomerie, T. Craig; Tovell, Dorothy R.; Armour, Margaret-Ann; Fitzsimmons, George W.
2002-01-01
Examines the factors that affected the career decision-making of adolescent females and young women in undergraduate science, engineering, and technology programs. Qualitative analysis was used to uncover seven themes: transition from high school, educational influences, family influences, academic issues, coursework management, gender issues, and…
Paths to Success in Young Adulthood from Mental Health and Life Transitions in Emerging Adulthood
Howard, Andrea L.; Galambos, Nancy L.; Krahn, Harvey J.
2010-01-01
This study followed a school-based sample (N = 920) to explore how trajectories of depressive symptoms and expressed anger from age 18 to 25, along with important life transitions, predicted life and career satisfaction at age 32. A two-group (women and men) bivariate growth model revealed that higher depressive symptoms at age 18 predicted lower…
Structural and diffusion effects in the Dutch fertility transition, 1870-1940
Directory of Open Access Journals (Sweden)
Hilde Bras
2014-01-01
Full Text Available Background: Ever since the Princeton European Fertility Project, structural and diffusion effects on fertility behavior have been juxtaposed. However, we still hardly know what the relative effects were of shifting socio-economic conditions and shifts in sociability in explaining the historical fertility decline. Objective: To what extent and how did structural and diffusion effects play a role in the adoption of fertility control in the Dutch historical fertility transition? Methods: A national data set was used with more than 3,000 maternity histories of married Dutch women aged 15-50, whose reproductive careers took place between 1870 and 1940. Apart from husbands' occupations, characteristics of the set of couples' marriage witnesses were included to measure their social networks. Cox regression analyses of age at last birth and negative binomial regressions of net family size were conducted. Results: Results indicate that unskilled laborers and farm laborers were laggards in the practice of fertility control during the Dutch fertility transition. Besides SES differentials, differences in couples' social networks were important in explaining fertility behavior. Those who had networks consisting of lateral kin, age peers, and people of urban background stopped childbearing earlier and had smaller families than other couples did. Particularly the presence of lateral kin of the bride and of female witnesses was strongly associated with smaller family size. Conclusions: The evidence lends support for so-called "blended diffusion models" and suggests that the fertility transition must be understood as much from the viewpoint of changed cost-benefit calculations related to structural changes, as from shifting patterns of sociability associated with the decline of patriarchy and the increasing lateralization and age homophily of people's social networks.
Diffusion correction to the Raether Meek criterion for the avalanche-to-streamer transition
Montijn, Carolynne; Ebert, Ute
2006-07-01
Space-charge dominated streamer discharges can emerge in free space from single electrons. We reinvestigate the Raether-Meek criterion and show that streamer emergence depends not only on ionization and attachment rates and gap length, but also on electron diffusion. Motivated by simulation results, we derive an explicit quantitative criterion for the avalanche-to-streamer transition both for pure non-attaching gases and for air, under the assumption that the avalanche emerges from a single free electron and evolves in a homogeneous field.
Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers
Sun, Xiaoli; Wang, Zhiguo
2017-01-01
Using first principles calculations, we studied the stability and electronic properties of transition metal dichalcogenide monolayers of the type MX2 (M = Ti, Zr, Hf, V, Nb, Ta, Mo, Cr, W; X= S, Se, Te). The adsorption and diffusion of lithium on the stable MX2 phase was also investigated for potential application as an anode for lithium ion batteries. Some of these compounds were found to be stable in the 2H phase and some are in the 1T or 1T' phase, but only a few of them were stable in bot...
Women Teachers and Policemen: Different Career Transition Paths to Becoming Lawyers
Directory of Open Access Journals (Sweden)
Edgar Burns
2010-03-01
Full Text Available Within a larger study of career transition to law, a number of individuals were identified as havingcome from two occupational clusters, policing and teaching. These interviewee occupations were forthe most part each composed of one gender only - policemen and women teachers. These twogroups are compared here across a series of points that illustrate ways that gender discourses bothconstitute and reflect social reproduction even within processes of social change. Aspects ofpersonal experiences of these career changes that are briefly explored in this discussion include:origins of the two groups in terms of social class and education; gender and recent historical change;the differing connections to law of these two groups; subdued narratives of police changing to the‘dark side’ to become lawyers; and differing teaching career sequences, including family care, on thepathway towards transition into law; law school and beyond.
Research of low-carbon transition path of star hotels--A case study of Guilin
Directory of Open Access Journals (Sweden)
Tang Fengling
2016-01-01
Full Text Available A general trend of the world economic development is the low-carbon economic transition. With a wide influencing range and rapid development, the hotel industry has prominent problems in the energy con-sumption, resources occupancy and environmental unfriendliness, so it is imperative to develop low-carbon ho-tels. This paper proposes the low-carbon transition of the star hotels in Guilin in terms of constructing the energy conservation and innovative management mode, adopting new technologies and ways, developing low-carbon hotel products and guiding low-carbon consumption through analysis about the inevitability of establishing low-carbon hotels in Guilin, the running status of the existing star hotels and the situation of energy consumption, thus further promoting the development of low-carbon tourism in Guilin.
The Lost Path: Regulating Transit Illegal Immigration on Mexico’s Southern Border
2014-12-01
producers (Colombia, Bolivia, and Peru ), the intermediary Mexican drug cartels, and the U.S. drug market makes it a strategic transit route for organized...497 “Pone en Marcha el Presidente Enrique Peña Nieto el Programa Frontera Sur,” Presidencia de la República, last...updated July 07, 2014, http://www.presidencia.gob.mx/articulos-prensa/pone-en-marcha-el- presidente -enrique-pena-nieto-el-programa-frontera-sur/. 498
Lüdtke, Oliver; Roberts, Brent W.; Trautwein, Ulrich; Nagy, Gabriel
2013-01-01
This longitudinal study examined the relation between continuity and change in the Big Five personality traits and life events. Approximately 2,000 German students were tracked from high school to university or to vocational training or work, with 3 assessments over 4 years. Life events were reported retrospectively at the 2nd and 3rd assessment. Latent curve analyses were used to assess change in personality traits, revealing 3 main findings. First, mean-level changes in the Big Five factors over the 4 years were in line with the maturity principle, indicating increasing psychological maturity from adolescence to young adulthood. Second, personality development was characterized by substantive individual differences relating to the life path followed; participants on a more vocationally oriented path showed higher increases in conscientiousness and lower increases in agreeableness than their peers at university. Third, initial level and change in the Big Five factors (especially Neuroticism and Extraversion) were linked to the occurrence of aggregated as well as single positive and negative life events. The analyses suggest that individual differences in personality development are associated with life transitions and individual life experiences. PMID:21744977
Jafari, Mina; Zimmerman, Paul M
2017-04-15
The computational challenge of fast and reliable transition state and reaction path optimization requires new methodological strategies to maintain low cost, high accuracy, and systematic searching capabilities. The growing string method using internal coordinates has proven to be highly effective for the study of molecular, gas phase reactions, but difficulties in choosing a suitable coordinate system for periodic systems has prevented its use for surface chemistry. New developments are therefore needed, and presented herein, to handle surface reactions which include atoms with large coordination numbers that cannot be treated using standard internal coordinates. The double-ended and single-ended growing string methods are implemented using a hybrid coordinate system, then benchmarked for a test set of 43 elementary reactions occurring on surfaces. These results show that the growing string method is at least 45% faster than the widely used climbing image-nudged elastic band method, which also fails to converge in several of the test cases. Additionally, the surface growing string method has a unique single-ended search method which can move outward from an initial structure to find the intermediates, transition states, and reaction paths simultaneously. This powerful explorative feature of single ended-growing string method is demonstrated to uncover, for the first time, the mechanism for atomic layer deposition of TiN on Cu(111) surface. This reaction is found to proceed through multiple hydrogen-transfer and ligand-exchange events, while formation of H-bonds stabilizes intermediates of the reaction. Purging gaseous products out of the reaction environment is the driving force for these reactions. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Hu, Zheng; Lei, Xianqi; Wang, Yang; Zhang, Kun
2018-03-01
The oxidation behaviors of as-cast, pre-deformed, and crystallized Zr47.9Ti0.3Ni3.1Cu39.3Al9.4 metallic glasses (MGs) were studied near the glass transition point. The oxidation kinetics of the crystallized MGs followed a parabolic-rate law, and the as-cast and pre-deformed MGs exerted a typical two-stage behavior above the glass transition temperature (T g). Most interesting, pre-deformed treatment can significantly improve the oxidation rate of MGs, as the initial oxidation appeared earlier than for the as-cast MGs, and was accompanied by much thicker oxide scale. The EDS and XPS results showed that the metal Al acted as the preferred scavenger that absorbed intrinsic oxygen in the near-surface region of as-cast MGs. However, a homogeneous mixed layer without Al was observed in the pre-deformed MGs. We speculated the accelerated diffusion of other elements in the MGs was due to the local increase in the free volume and significant shear-induced dilation of the local structure. The results from this study demonstrate that MGs exhibit controllable atomic diffusion during the oxidation process, which can facilitate use in super-cooled liquid region applications.
Weiss, Michael; Krejcie, Tom C; Avram, Michael J
2006-08-01
We present an in vivo method for analyzing the distribution kinetics of physiological markers into their respective distribution volumes utilizing information provided by the relative dispersion of transit times. Arterial concentration-time curves of markers of the vascular space [indocyanine green (ICG)], extracellular fluid (inulin), and total body water (antipyrine) measured in awake dogs under control conditions and during phenylephrine or isoproterenol infusion were analyzed by a recirculatory model to estimate the relative dispersions of transit times across the systemic and pulmonary circulation. The transit time dispersion in the systemic circulation was used to calculate the whole body distribution clearance, and an interpretation is given in terms of a lumped organ model of blood-tissue exchange. As predicted by theory, this relative dispersion increased linearly with cardiac output, with a slope that was inversely related to solute diffusivity. The relative dispersion of the flow-limited indicator antipyrine exceeded that of ICG (as a measure of intravascular mixing) only slightly and was consistent with a diffusional equilibration time in the extravascular space of approximately 10 min, except during phenylephrine infusion, which led to an anomalously high relative dispersion. A change in cardiac output did not alter the heterogeneity of capillary transit times of ICG. The results support the view that the relative dispersions of transit times in the systemic and pulmonary circulation estimated from solute disposition data in vivo are useful measures of whole body distribution kinetics of indicators and endogenous substances. This is the first model that explains the effect of flow and capillary permeability on whole body distribution of solutes without assuming well-mixed compartments.
Meana-Pañeda, Rubén; Fernández-Ramos, Antonio
2014-05-07
This work reports a detailed theoretical study of the hydrogen abstraction reactions from ethanol by atomic hydrogen. The calculated thermal rate constants take into account torsional anharmonicity and conformational flexibility, in addition to the variational and tunneling effects. Specifically, the kinetics calculations were performed by using multi-path canonical variational transition state theory with least-action path tunneling corrections, to which we have added the two-dimensional non-separable method to take into account torsional anharmonicity. The multi-path thermal rate constant is expressed as a sum over conformational reaction channels. Each of these channels includes all the transition states that can be reached by internal rotations. The results show that, in the interval of temperatures between 250 and 2500 K, the account for multiple paths leads to higher thermal rate constants with respect to the single path approach, mainly at low and at high temperatures. In addition, torsional anharmonicity enhances the slope of the Arrhenius plot in this range of temperatures. Finally, we show that the incorporation of tunneling into the hydrogen abstraction reactions substantially changes the contribution of each of the transition states to the conformational reaction channel.
International Nuclear Information System (INIS)
Rudolph, G.
1983-01-01
With the aid of quantitative microprobe tests, diffusion phenomena and phase formation in the ternary CuNiAl system at 600 - 900 0 C were investigated taking as an example the diffusion couple CuNi5Al5-nickel. The diffusion paths in the ternary system are dependent on temperature and assume an S-form in the copper corner of the phase diagram. In the copper corner, the curves swing away from the more rapid component aluminium towards the copper. Due to this non-linear course of the curves, the intermetallic theta-phase of the type (Ni,Cu) 3 Al can be observed as a layer at all temperatures in the boundary zone. At 800 0 C and to a lesser extend at 900 0 C the solubility of α-CuNi40 for aluminium, at around 5 mass-%, is higher than the value given by W.O. Alexander (1938). As far as it is possible with the diffusion couple under analysis, the microprobe measurements taken otherwise conform at 700 and 600 0 C the position of the phase boundary α-(Cu,Ni)/(α+theta)-miscibility gap indicated in W.O. Alexander (1938). (Author)
Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers
Directory of Open Access Journals (Sweden)
Xiaoli Sun
2017-12-01
Full Text Available Using first principles calculations, we studied the stability and electronic properties of transition metal dichalcogenide monolayers of the type MX2 (M = Ti, Zr, Hf, V, Nb, Ta, Mo, Cr, W; X= S, Se, Te. The adsorption and diffusion of lithium on the stable MX2 phase was also investigated for potential application as an anode for lithium ion batteries. Some of these compounds were found to be stable in the 2H phase and some are in the 1T or 1T' phase, but only a few of them were stable in both 2H/1T or 2H/1T' phases. The results show that lithium is energetically favourable for adsorption on MX2 monolayers, which can be semiconductors with a narrow bandgap and metallic materials. Lithium cannot be adsorbed onto 2H-WS2 and 2H-WSe2, which have large bandgaps of 1.66 and 1.96 eV, respectively. The diffusion energy barrier is in the range between 0.17 and 0.64 eV for lithium on MX2 monolayers, while for most of the materials it was found to be around 0.25 eV. Therefore, this work illustrated that most of the MX2 monolayers explored in this work can be used as promising anode materials for lithium ion batteries.
Sun, Xiaoli; Wang, Zhiguo
2017-01-01
Using first principles calculations, we studied the stability and electronic properties of transition metal dichalcogenide monolayers of the type MX 2 (M = Ti, Zr, Hf, V, Nb, Ta, Mo, Cr, W; X= S, Se, Te). The adsorption and diffusion of lithium on the stable MX 2 phase was also investigated for potential application as an anode for lithium ion batteries. Some of these compounds were found to be stable in the 2H phase and some are in the 1T or 1T' phase, but only a few of them were stable in both 2H/1T or 2H/1T' phases. The results show that lithium is energetically favourable for adsorption on MX 2 monolayers, which can be semiconductors with a narrow bandgap and metallic materials. Lithium cannot be adsorbed onto 2H-WS 2 and 2H-WSe 2 , which have large bandgaps of 1.66 and 1.96 eV, respectively. The diffusion energy barrier is in the range between 0.17 and 0.64 eV for lithium on MX 2 monolayers, while for most of the materials it was found to be around 0.25 eV. Therefore, this work illustrated that most of the MX 2 monolayers explored in this work can be used as promising anode materials for lithium ion batteries.
Kim, Jae-Geun; Park, Min-Sik; Hwang, Soo Min; Heo, Yoon-Uk; Liao, Ting; Sun, Ziqi; Park, Jong Hwan; Kim, Ki Jae; Jeong, Goojin; Kim, Young-Jun; Kim, Jung Ho; Dou, Shi Xue
2014-05-01
One-dimensional nanomaterials have short Li(+) diffusion paths and promising structural stability, which results in a long cycle life during Li(+) insertion and extraction processes in lithium rechargeable batteries. In this study, we fabricated one-dimensional spinel Li4Ti5O12 (LTO) nanofibers using an electrospinning technique and studied the Zr(4+) doping effect on the lattice, electronic structure, and resultant electrochemical properties of Li-ion batteries (LIBs). Accommodating a small fraction of Zr(4+) ions in the Ti(4+) sites of the LTO structure gave rise to enhanced LIB performance, which was due to structural distortion through an increase in the average lattice constant and thereby enlarged Li(+) diffusion paths rather than changes to the electronic structure. Insulating ZrO2 nanoparticles present between the LTO grains due to the low Zr(4+) solubility had a negative effect on the Li(+) extraction capacity, however. These results could provide key design elements for LTO anodes based on atomic level insights that can pave the way to an optimal protocol to achieve particular functionalities. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Mezzasalma, Stefano A
2007-03-15
The theoretical basis of a recent theory of Brownian relativity for polymer solutions is deepened and reexamined. After the problem of relative diffusion in polymer solutions is addressed, its two postulates are formulated in all generality. The former builds a statistical equivalence between (uncorrelated) timelike and shapelike reference frames, that is, among dynamical trajectories of liquid molecules and static configurations of polymer chains. The latter defines the "diffusive horizon" as the invariant quantity to work with in the special version of the theory. Particularly, the concept of universality in polymer physics corresponds in Brownian relativity to that of covariance in the Einstein formulation. Here, a "universal" law consists of a privileged observation, performed from the laboratory rest frame and agreeing with any diffusive reference system. From the joint lack of covariance and simultaneity implied by the Brownian Lorentz-Poincaré transforms, a relative uncertainty arises, in a certain analogy with quantum mechanics. It is driven by the difference between local diffusion coefficients in the liquid solution. The same transformation class can be used to infer Fick's second law of diffusion, playing here the role of a gauge invariance preserving covariance of the spacetime increments. An overall, noteworthy conclusion emerging from this view concerns the statistics of (i) static macromolecular configurations and (ii) the motion of liquid molecules, which would be much more related than expected.
Rossi, Mariana; Ceriotti, Michele; Manolopoulos, David
Diffusion of H+ and OH- along water wires provides an efficient mechanism for charge transport that is exploited by biological systems and shows promise in technological applications. However, what is lacking for a better control and design of these systems is a thorough theoretical understanding of the diffusion process at the atomic scale. Here we consider H+ and OH- in finite water wires using density functional theory. We employ machine learning techniques to identify the charged species, thus obtaining an agnostic definition of the charge. We employ thermostated ring polymer molecular dynamics and extract a ``universal'' diffusion coefficient from simulations with different wire sizes by considering Langevin dynamics on the potential of mean force of the charged species. In the classical case, diffusion coefficients depend significantly on the potential energy surface, in particular on how dispersion forces modulate O-O distances. NQEs, however, make the diffusion less sensitive to the underlying potential and geometry of the wire, presumably making them more robust to environment fluctuations.
Energy Technology Data Exchange (ETDEWEB)
Descotes, L.
1994-05-01
We studied the liquid sulfur according to the temperature. The sulfur is one of the most complicated elementary liquid. We experimented the neutron diffusion by the powder orthorhombic sulfur. The complexity at the polymerization transition are only accompanied by weak local structural transfer. 231 refs., 48 figs., 8 tabs., 3 annexes.
Lapelosa, Mauro; Abrams, Cameron F
2013-10-01
Rare events between states in complex systems are fundamental in many scientific fields and can be studied by building reaction pathways. A theoretical framework to analyze reaction pathways is provided by transition-path theory (TPT). The central object in TPT is the committor function, which is found by solution of the backward-Kolmogorov equation on a given potential. Once determined, the committor can be used to calculate reactive fluxes and rates, among other important quantities. We demonstrate here that the committor can be calculated using the method of finite elements on non-uniform meshes. We show that this approach makes it feasible to perform TPT calculations on 3D potentials because it requires many fewer degrees of freedom than a regular-mesh finite-difference approach. In various illustrative 2D and 3D problems, we calculate the committor function and reaction rates at different temperatures, and we discuss effects of temperatures and simple entropic barriers on the structure of the committor and the reaction rate constants.
International Nuclear Information System (INIS)
Szubiakowski, Jacek P.
2014-01-01
The subject of this paper is studies of the deterministic identifiability of molecular parameters, such as rotational diffusion tensor components and orientation of electronic transition moments, resulting from the time-resolved fluorescence anisotropy experiment. In the most general case considered, a pair of perpendicularly polarized emissions enables the unique determination of all the rotational diffusion tensor's principal components. The influence of the tensor's symmetry and the associated degeneration of its eigenvalues on the identifiability of the electronic transitions moments is systematically investigated. The analysis reveals that independently of the rotational diffusion tensor's symmetry, the transition moments involved in photoselection and emission processes cannot be uniquely identified without a priori information about their mutual orientation or their orientation with respect to the principal axes of the tensor. Moreover, it is shown that increasing the symmetry of the rotational diffusion tensor deteriorates the degree of the transition moments identifiability. To obtain these results analytically, a novel approach to solve bilinear system of equations for Markov parameters is applied. The effect of the additional information, obtained from fluorescence measurements for different molecular mobilities, to improve the identifiability at various levels of analysis is shown. The effectiveness and reliability of the target analysis method for experimental determination of the molecular parameters is also discussed
Flow transitions in three-dimensional double-diffusive fingering convection in a porous cavity
Sezai, I.
2002-08-01
In the present study the existence of multiple three-dimensional double-diffusive flow patterns in a horizontal rectangular porous cavity of a square cross-section, having horizontal aspect ratios Ax = Ay = 2 is investigated numerically. Opposing vertical gradients of temperature and concentration are applied between the two horizontal walls of the cavity, where the solute gradient is destabilizing against a stabilizing temperature gradient. All vertical walls are considered to be impermeable and adiabatic. The Brinkman and Forchheimer terms are included in the momentum equations where the convective terms are retained. The effect of the buoyancy ratio, N, thermal Rayleigh number, RaT and Lewis number, Le, on the formation of multiple flow patterns is investigated over a wide range of parameters. Altogether 36 symmetric flow structures have been identified when each of the parameters N, RaT, and Le is varied independently, keeping the others as constants. The results of the calculations are presented in terms of the average Sherwood number curves consisting of different solution branches, where transitions between the branches are indicated. The flow patterns are classified according to their symmetry properties and the type of symmetries broken or preserved are identified during the bifurcation processes.
Three-dimensional doubly diffusive convectons: instability and transition to complex dynamics
Knobloch, Edgar; Beaume, Cedric; Bergeon, Alain
2017-11-01
Doubly diffusive convection in a closed vertically extended 3D container driven by competing horizontal temperature and concentration gradients is studied. No-slip boundary conditions are imposed. The buoyancy number N = - 1 to ensure the presence of a conduction state. The primary instability is subcritical and generates two families of spatially localised steady states known as convectons. The convectons bifurcate directly from the conduction state and are organized in a pair of primary branches that snake within a well-defined range of Rayleigh numbers as the convectons grow in length. Secondary instabilities generating twist result in secondary snaking branches of twisted convectons. These destabilize the primary convectons and are responsible for the absence of stable steady states, localized or otherwise, in the subcritical regime. As a result, once the Rayleigh number for the primary instability of the conduction state is exceeded, the system exhibits an abrupt transition to large amplitude spatio-temporal chaos that arises whenever the twist instability leading to collapse is faster than the nucleation time for new rolls. These numerical results are confirmed by determining the stability properties of all convecton states as well as spatially extended convection. Supported in part by the National Science Foundation under Grant DMS-1613132.
Diffusive-to-ballistic transition of the modulated heat transport in a rarefied air chamber
Directory of Open Access Journals (Sweden)
C. L. Gomez-Heredia
2017-01-01
Full Text Available Modulated heat transfer in air subject to pressures from 760 Torr to 10-4 Torr is experimentally studied by means of a thermal-wave resonant cavity placed in a vacuum chamber. This is done through the analysis of the amplitude and phase delay of the photothermal signal as a function of the cavity length and pressure through of the Knudsen’s number. The viscous, transitional, and free molecular regimes of heat transport are observed for pressures P>1.5 Torr, 25 mTorr
diffusive and ballistic heat transport.
Fontenla, J. M.; Avrett, E. H.; Loeser, R.
1990-01-01
The energy balance in the lower transition region is analyzed by constructing theoretical models which satisfy the energy balance constraint. The energy balance is achieved by balancing the radiative losses and the energy flowing downward from the corona. This energy flow is mainly in two forms: conductive heat flow and hydrogen ionization energy flow due to ambipolar diffusion. Hydrostatic equilibrium is assumed, and, in a first calculation, local mechanical heating and Joule heating are ignored. In a second model, some mechanical heating compatible with chromospheric energy-balance calculations is introduced. The models are computed for a partial non-LTE approach in which radiation departs strongly from LTE but particles depart from Maxwellian distributions only to first order. The results, which apply to cases where the magnetic field is either absent, or uniform and vertical, are compared with the observed Lyman lines and continuum from the average quiet sun. The approximate agreement suggests that this type of model can roughly explain the observed intensities in a physically meaningful way, assuming only a few free parameters specified as chromospheric boundary conditions.
Vavilala, Monica S; Marro, Ken I; Richards, Todd L; Roberts, Joan S; Curry, Parichat; Pihoker, Catherine; Bradford, Heidi; Shaw, Dennis
2011-11-01
Cerebral edema is a devastating complication of pediatric diabetic ketoacidosis. We examined measures describing potential causes of whole brain and regional brain edema (mean transit time, apparent diffusion coefficient, and relative cerebral blood volume) during treatment of diabetic ketoacidosis in children. Prospective observational study. Regional children's hospital. None. After Institutional Review Board approval, children admitted with diabetic ketoacidosis (pH 300 mg/dL, and ketosis) underwent two serial paired contrast-enhanced (gadolinium) and diffusion magnetic resonance imaging scans. Change in whole brain and regional (frontal lobe, occipital lobe, and basal ganglia) mean transit time, apparent diffusion coefficient, and relative cerebral blood volume between the two time periods (12-24 hrs) and (36-72 hrs) after start of insulin treatment (time 0) were determined. Thirteen children (median age, 10.3 ± 1.1 yrs; 7 female) with diabetic ketoacidosis were examined. Overall, whole brain and regional mean transit time decreased from time 1 (first magnetic resonance imaging after time 0) to time 2 (second magnetic resonance imaging after time 0) by 51% ± 59% (p = .01), without differences between the brain regions examined. Whole brain apparent diffusion coefficient increased by 4.7% ± 3.4% (p = .001), without differences between the brain regions examined. There was no change in relative cerebral blood volume for the whole brain and for the three brain regions examined. In this study, whole brain mean transit time decreased and apparent diffusion coefficient increased, suggesting a vasogenic process between the two study periods during diabetic ketoacidosis treatment.
Dominguez, G.
2013-12-01
For over six decades, Urey's (1) statistical mechanical model of isotopic fractionation based on partition functions with quantized energy levels have enjoyed enormous success in quantitatively explaining equilibrium isotopic fractionation in a wide variety of geochemical systems For example, the interpretation of oxygen isotopic variations in carbonate systems (e.g. foraminiferas), in terms of partition functions with quantized energy levels, forms the basis for paleothermometry (2). Recent observations of isotopic fractionation from chemical and thermal (Soret) diffusion (3-7) appear to challenge our theoretical understanding of mass-transport and isotopic fractionation (8, 9). For example, a recently proposed quantum mechanical model of Soret diffusion, which correctly predicts the isotopic fractionation in thermal gradients for isotopes of Mg, Ca, Fe, Si, and possibly oxygen, was critiqued as being unphysical. First, it was argued that the zero point energies needed to explain the magnitude of isotopic fractionation in basalt melts were unrealistically high based on infrared spectra of these melts. Second, it was argued that the chemical diffusion isotopic fractionation (beta) factors expected from these zero-point energies were also unphysical (10). A recently proposed collision-momentum transfer model partially explains observed fractionation factors, although it fails miserably (by a factor of 3) to account for the isotopic fractionation of Mg isotopes (11). In this presentation, I will review recent observations and models of isotopic fractionation in geochemical melts with thermal gradients and expand upon previous work (8, 12) to show how transition state theory can simultaneously explain mass-transport induced isotopic fractionation, including kinetic, equilibrium, and Soret isotopic fractionation. I show this by providing a few example calculations of the kinetic fractionation factors (a.k.a. beta factors) expected in chemical diffusion as well as
International Nuclear Information System (INIS)
Ahmed, N.; Khan, G.
1990-09-01
In this report the author used of a very useful technique of simulation and applied it to successfully for determining the various properties of sodium, both in liquid and solid phase near transition point. As a first step the determination of specific heat and diffusion coefficient have been carried out. In liquid state the molecular dynamics (MD) values calculated matched the experimental data. But in solid state the diffusion coefficient obtained were not consistent with the one expected for a solid, rather the values obtained suggested that sodium remained in liquid state even below the melting point. (A.B.)
Paul, Shibashis; Ghosh, Shyamolina; Ray, Deb Shankar
2018-02-01
We consider a reaction-diffusion system with linear, stochastic activator-inhibitor kinetics where the time evolution of concentration of a species at any spatial location depends on the relative average concentration of its neighbors. This self-regulating nature of kinetics brings in spatial correlation between the activator and the inhibitor. An interplay of this correlation in kinetics and disparity of diffusivities of the two species leads to symmetry breaking non-equilibrium transition resulting in stationary pattern formation. The role of initial noise strength and the linear reaction terms has been analyzed for pattern selection.
Directory of Open Access Journals (Sweden)
N. Naharudin
2017-10-01
Full Text Available Every transit trip begins and ends with pedestrian travel. People need to walk to access the transit services. However, their choice to walk depends on many factors including the connectivity, level of comfort and safety. These factors can influence the pleasantness of riding the transit itself, especially during the first/last mile (FLM journey. This had triggered few studies attempting to measure the pedestrian-friendliness a walking environment can offer. There were studies that implement the pedestrian experience on walking to assess the pedestrian-friendliness of a walking environment. There were also studies that use spatial analysis to measure it based on the path connectivity and accessibility to public facilities and amenities. Though both are good, but the perception-based studies and spatial analysis can be combined to derive more holistic results. This paper proposes a framework for selecting a pedestrian-friendly path for the FLM transit journey by using the two techniques (perception-based and spatial analysis. First, the degree of importance for the factors influencing a good walking environment will be aggregated by using Analytical Network Process (ANP decision rules based on people’s preferences on those factors. The weight will then be used as attributes in the GIS network analysis. Next, the network analysis will be performed to find a pedestrian-friendly walking route based on the priorities aggregated by ANP. It will choose routes passing through the preferred attributes accordingly. The final output is a map showing pedestrian-friendly walking path for the FLM transit journey.
Naharudin, N.; Ahamad, M. S. S.; Sadullah, A. F. M.
2017-10-01
Every transit trip begins and ends with pedestrian travel. People need to walk to access the transit services. However, their choice to walk depends on many factors including the connectivity, level of comfort and safety. These factors can influence the pleasantness of riding the transit itself, especially during the first/last mile (FLM) journey. This had triggered few studies attempting to measure the pedestrian-friendliness a walking environment can offer. There were studies that implement the pedestrian experience on walking to assess the pedestrian-friendliness of a walking environment. There were also studies that use spatial analysis to measure it based on the path connectivity and accessibility to public facilities and amenities. Though both are good, but the perception-based studies and spatial analysis can be combined to derive more holistic results. This paper proposes a framework for selecting a pedestrian-friendly path for the FLM transit journey by using the two techniques (perception-based and spatial analysis). First, the degree of importance for the factors influencing a good walking environment will be aggregated by using Analytical Network Process (ANP) decision rules based on people's preferences on those factors. The weight will then be used as attributes in the GIS network analysis. Next, the network analysis will be performed to find a pedestrian-friendly walking route based on the priorities aggregated by ANP. It will choose routes passing through the preferred attributes accordingly. The final output is a map showing pedestrian-friendly walking path for the FLM transit journey.
Energy Technology Data Exchange (ETDEWEB)
Dupouy, M.D.; Camel, D.; Mazille, J.E. [CEA Centre d' Etudes et de Recherches sur les Materiaux, 38 - Grenoble (France); Hugon, I. [Lab. de Metallographie, DCC/DTE/SIM, CEA Valrho (France)
2000-07-01
The columnar-equiaxed transition under diffusive transport conditions was studied in microgravity (EUROMIR95 and spacelab-LMS96) by solidifying four Al-4wt%Cu alloys refined at different levels, with a constant cooling rate (1 K/min), both under nearly isothermal conditions and under a decreasing temperature gradient. Isothermal samples showed a homogeneous equiaxed structure with no fading of the refiner efficiency. Gradient samples revealed a continuous transition consisting of an orientation of the microsegregation parallel to the solidification direction, without any grain selection effect. For comparison, ground samples evidence the influence of the motion of both refiner particles and growing equiaxed grains. (orig.)
Hofmeister, A. M.
2006-12-01
The dependence of the vibrational component of thermal diffusivity (D) of spinel-family minerals on chemical composition, disorder, and temperature (T) is discerned using laser-flash measurements of single-crystals up to 1850 K, and used along with data on garnets and radiative transfer calculations to constrain heat transport in Earth's transition zone (TZ). Laser-flash analysis lacks the systematic errors associated with conventional methods, namely, corruption with radiative transfer, and thermal contact losses. Chemical compositions are synthetic disordered spinel, 4 natural samples near MgAl2O4; 4 natural hercynites (Mg,Fe,Al)3O4], nearly ZnAl2O4, and 2 magnetites [Fe3O4]. The magnetic transition is manifest as a lambda curve in 1/D, but otherwise, 1/D is described by low-order polynomial fits with temperature. Ordered, MgAl2O4 has D(298K) = 7.78 mm2/s, which should approximate that of γ-Mg2SiO4. At 298 K, D decreases strongly as cation substitution or Mg-Al disorder increases: D(298K) for ringwoodite is estimated as 5.8 mm2/s. However, above 1400 K, D becomes constant: this limit (Dsat=0.70-1.07 mm2/s) weakly depends on composition and disorder and is analogous to the Dulong-Petit limit in heat capacity (Cp). Mantle garnets have Dsat=0.65 mm2/s (Hofmeister 2006 Phys Chem Min.). To obtain TZ values, we use d(lnD)/dP= (4γth 2/3)KT, literature data on bulk modulus and thermal Gruneisen parameter, density from PREM, and Cp=1.3 J/g-K, which depends weakly on composition, T, and P. Average thermal conductivity (k)in the TZ is 5-6 W/m-K, depending on garnet proportion, and increase with P. Radiative transfer provides ca 1 W/m-K, depending on Fe content and grain-size (Hofmeister 2005 J. Geodyn.). Our estimate of large k = 6-7 W/m-K is twice recent estimates, and is a consequence of phonon saturation revealed by laser-flash measurements. Efficient vibrational transport of heat in the TZ and deeper stabilizes against convection, as does the positive temperature
Path coupling and aggregate path coupling
Kovchegov, Yevgeniy
2018-01-01
This book describes and characterizes an extension to the classical path coupling method applied to statistical mechanical models, referred to as aggregate path coupling. In conjunction with large deviations estimates, the aggregate path coupling method is used to prove rapid mixing of Glauber dynamics for a large class of statistical mechanical models, including models that exhibit discontinuous phase transitions which have traditionally been more difficult to analyze rigorously. The book shows how the parameter regions for rapid mixing for several classes of statistical mechanical models are derived using the aggregate path coupling method.
Steinrücken, Matthias; Wang, Y X Rachel; Song, Yun S
2013-02-01
Characterizing time-evolution of allele frequencies in a population is a fundamental problem in population genetics. In the Wright-Fisher diffusion, such dynamics is captured by the transition density function, which satisfies well-known partial differential equations. For a multi-allelic model with general diploid selection, various theoretical results exist on representations of the transition density, but finding an explicit formula has remained a difficult problem. In this paper, a technique recently developed for a diallelic model is extended to find an explicit transition density for an arbitrary number of alleles, under a general diploid selection model with recurrent parent-independent mutation. Specifically, the method finds the eigenvalues and eigenfunctions of the generator associated with the multi-allelic diffusion, thus yielding an accurate spectral representation of the transition density. Furthermore, this approach allows for efficient, accurate computation of various other quantities of interest, including the normalizing constant of the stationary distribution and the rate of convergence to this distribution. Copyright © 2012 Elsevier Inc. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Ertaş, Mehmet, E-mail: mehmetertas@erciyes.edu.tr; Keskin, Mustafa
2015-03-01
By using the path probability method (PPM) with point distribution, we study the dynamic phase transitions (DPTs) in the Blume–Emery–Griffiths (BEG) model under an oscillating external magnetic field. The phases in the model are obtained by solving the dynamic equations for the average order parameters and a disordered phase, ordered phase and four mixed phases are found. We also investigate the thermal behavior of the dynamic order parameters to analyze the nature dynamic transitions as well as to obtain the DPT temperatures. The dynamic phase diagrams are presented in three different planes in which exhibit the dynamic tricritical point, double critical end point, critical end point, quadrupole point, triple point as well as the reentrant behavior, strongly depending on the values of the system parameters. We compare and discuss the dynamic phase diagrams with dynamic phase diagrams that were obtained within the Glauber-type stochastic dynamics based on the mean-field theory. - Highlights: • Dynamic magnetic behavior of the Blume–Emery–Griffiths system is investigated by using the path probability method. • The time variations of average magnetizations are studied to find the phases. • The temperature dependence of the dynamic magnetizations is investigated to obtain the dynamic phase transition points. • We compare and discuss the dynamic phase diagrams with dynamic phase diagrams that were obtained within the Glauber-type stochastic dynamics based on the mean-field theory.
Tchalakov, Ivan; Mitev, Tihomir; Petrov, Venelin
2010-01-01
The paper questions some of the premises in studying academic spin-offs in developed countries, claiming that when taken as characteristics of "academic spin-offs per se," they are of little help in understanding the phenomenon in the Eastern European countries during the transitional and post-transitional periods after 1989. It argues…
Tikhonov, A. M.
2017-11-01
The molecular structure of neutral n-triacontanol mesophases at the n-hexane-water interface has been studied by diffuse X-ray scattering using synchrotron radiation. According to the experimental data, a transition to the multilayer adsorption of alkanol occurs at a temperature below the transition from a gas phase to a liquid Gibbs monolayer.
Energy Technology Data Exchange (ETDEWEB)
Fisher, M.P.A.; Grinstein, G. (IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598 (US)); Girvin, S.M. (Physics Department, Swain Hall West 117, Indiana University, Bloomington, Indiana 47405 (USA))
1990-01-29
We argue that whenever the transition between the insulating and superconducting phases of a disordered two-dimensional Fermi system at zero temperature ({ital T}=0) is continuous, the system behaves like a normal metal right at the transition; i.e., the resistance has a finite, nonzero value at {ital T}=0. This value is {ital universal}---independent of all microscopic details. These features, consistent with recent measurements on disordered films, are hypothesized to apply to other 2D transitions at {ital T}=0, such as Anderson localization with spin-orbit coupling, and the quantum Hall effect.
Lagzi, István; Ueyama, Daishin
2009-01-01
The pattern transition between periodic precipitation pattern formation (Liesegang phenomenon) and pure crystal growth regimes is investigated in silver nitrate and potassium dichromate system in mixed agarose-gelatin gel. Morphologically different patterns were found depending on the quality of the gel, and transition between these typical patterns can be controlled by the concentration of gelatin in mixed gel. Effect of temperature and hydrodynamic force on precipitation pattern structure was also investigated.
Ahmadi, Sheida; Bowles, Richard K.
2017-04-01
Particles confined to a single file, in a narrow quasi-one-dimensional channel, exhibit a dynamic crossover from single file diffusion to Fickian diffusion as the channel radius increases and the particles begin to pass each other. The long time diffusion coefficient for a system in the crossover regime can be described in terms of a hopping time, which measures the time it takes for a particle to escape the cage formed by its neighbours. In this paper, we develop a transition state theory approach to the calculation of the hopping time, using the small system isobaric-isothermal ensemble to rigorously account for the volume fluctuations associated with the size of the cage. We also describe a Monte Carlo simulation scheme that can be used to calculate the free energy barrier for particle hopping. The theory and simulation method correctly predict the hopping times for a two-dimensional confined ideal gas system and a system of confined hard discs over a range of channel radii, but the method breaks down for wide channels in the hard discs' case, underestimating the height of the hopping barrier due to the neglect of interactions between the small system and its surroundings.
Brotzakis, Z.F.
2017-01-01
By the time the reader reads this line, billions of protein association events just occurred in our body, such as the ones regulating cell communication, signaling pathways, or in initiating a self-assembly processes, such as tissue fabrication, etc. The timescale of such transitions is slow,
Phase transitions, melting dynamics, and solid-state diffusion in a nano test tube.
Holmberg, Vincent C; Panthani, Matthew G; Korgel, Brian A
2009-10-16
Confined nanoscale geometry greatly influences physical transformations in materials. The electron microscope enables direct visualization of these changes. We examined the evolution of a germanium (Ge) nanowire attached to a gold (Au) nanocrystal as it was heated to 900 degrees C. The application of a carbon shell prevented changes in volume and interfacial area during the heating cycle. Au/Ge eutectic formation was visualized, occurring 15 degrees C below the bulk eutectic temperature. Capillary pressure pushed the melt into the cylindrical neck of the nanowire, and Ge crystallized in the spherical tip of the carbon shell. Solid-state diffusion down the length of the confined Ge nanowire was observed at temperatures above 700 degrees C; Au diffusion was several orders of magnitude slower than in a bulk Ge crystal.
A rare case of transition to membranous lupus nephritis from diffuse proliferative lupus nephritis
Nishi, Hitomi; Sugimoto, Keisuke; Fujita, Shinsuke; Miyazawa, Tomoki; Enya, Takuji; Izu, Akane; Wada, Norihisa; Okada, Mitsuru; Takemura, Tsukasa
2014-01-01
[Abstract] Lupus nephritis is an important complication of systemic lupus erythematosus (SLE) that affects the prognosis. A rare type of lupus nephritis, class V, shows histological findings resembling those of membranous nephropathy. While most diffuse proliferative lupus nephritis is associated with other SLE disease activity, class V lupus nephritis can occur without systemic activity. Furthermore, Class V is less responsive to steroid therapy than other forms of lupus nephritis. We treate...
Horbach, Jens; Rammer, Christian
2017-01-01
The success of an energy turnaround towards renewables highly depends on the willingness and ability of firms to adopt energy technologies using renewable sources. Existing studies focused on the role of regulation and energy markets (e.g. the price for fossil energy) to explain the diffusion of green energy technologies. The present paper tries to give a more comprehensive view on the determinants of renewable energy innovations focusing on the crucial role of firms' regional environme...
Muždalo, Anja; Saalfrank, Peter; Vreede, Jocelyne; Santer, Mark
2018-03-09
Azobenzene-based molecular photoswitches are becoming increasingly important for the development of photoresponsive, functional soft-matter material systems. Upon illumination with light, fast interconversion between a more stable trans and a metastable cis configuration can be established resulting in pronounced changes in conformation, dipole moment or hydrophobicity. A rational design of functional photosensitive molecules with embedded azo moieties requires a thorough understanding of isomerization mechanisms and rates, especially the thermally activated relaxation. For small azo derivatives considered in the gas phase or simple solvents, Eyring's classical transition state theory (TST) approach yields useful predictions for trends in activation energies or corresponding half-life times of the cis isomer. However, TST or improved theories cannot easily be applied when the azo moiety is part of a larger molecular complex or embedded into a heterogeneous environment, where a multitude of possible reaction pathways may exist. In these cases, only the sampling of an ensemble of dynamic reactive trajectories (transition path sampling, TPS) with explicit models of the environment may reveal the nature of the processes involved. In the present work we show how a TPS approach can conveniently be implemented for the phenomenon of relaxation-isomerization of azobenzenes starting with the simple examples of pure azobenzene and a push-pull derivative immersed in a polar (DMSO) and apolar (toluene) solvent. The latter are represented explicitly at a molecular mechanical (MM) and the azo moiety at a quantum mechanical (QM) level. We demonstrate for the push-pull azobenzene that path sampling in combination with the chosen QM/MM scheme produces the expected change in isomerization pathway from inversion to rotation in going from a low to a high permittivity (explicit) solvent model. We discuss the potential of the simulation procedure presented for comparative calculation of
Diffuse Phase Transition In Non-Stoichiometric LiRbSO4 Crystals
Al Houty, L.; Kassem, M. E.; El-Muraikhi, M.; Mohammad, A. A.
1992-01-01
The influence of changing the ratio of Li2S04 on the structure transition of (RbxLi1-x)2S04 , LRS crystals, where x ranged from 0.1 to 0. 7, was studied by thermal analysis techniques in the temperature range 300 - 600 K. Multiple peaks in the DT A traces were observed for crystals having x = 0.1 and x = 0.2. The values of CP decreased while that ofT, increased with increasing Rb+ content. The excess of the specific heat for LRS crystals showed a broadening in the temperature dependence espec...
Quasiparticle Diffusion in Al Films Coupled to Tungsten Transition Edge Sensors
Yen, J. J.; Young, B. A.; Cabrera, B.; Brink, P. L.; Cherry, M.; Moffatt, R.; Pyle, M.; Redl, P.; Tomada, A.; Tortorici, E. C.
2014-08-01
We report recent results obtained from several W/Al test devices on Si wafers fabricated specifically to better understand energy collection in phonon sensors used for the Cryogenic Dark Matter Search (CDMS) experiment. The devices under study consist of three different lengths of 250 m-wide by 300 nm-thick Al absorber films, coupled to 250 m x 250 m (40 nm thick) W-TESs at each end of the Al film. An Fe source was used to excite a NaCl reflector producing 2.6 keV Cl X-rays that were absorbed in our test device after passing through a collimator. The impinging X-rays broke Cooper pairs in the Al film, producing quasiparticles that we detected after they propagated into the W-TESs. We studied the diffusion of these quasiparticles in the Al, trapping effects in the Al film, and energy transmission at the Al/W interfaces.
Xu, Lili; Renner, Jörg; Herwegh, Marco; Evans, Brian
2009-03-01
We extended a previous study on the influence of Mg solute impurity on diffusion creep in calcite to include deformation under a broader range of stress conditions and over a wider range of Mg contents. Synthetic marbles were produced by hot isostatic pressing (HIP) mixtures of calcite and dolomite powders for different intervals (2-30 h) at 850°C and 300 MPa confining pressure. The HIP treatment resulted in high-magnesian calcite aggregates with Mg content ranging from 0.5 to 17 mol%. Both back-scattered electron images and chemical analysis suggested that the dolomite phase was completely dissolved, and that Mg distribution was homogeneous throughout the samples at the scale of about two micrometers. The grain size after HIP varied from 8 to 31 μm, increased with time at temperature, and decreased with increasing Mg content (>3.0 mol%). Grain size and time were consistent with a normal grain growth equation, with exponents from 2.4 to 4.7, for samples containing 0.5-17.0 mol% Mg, respectively. We deformed samples after HIP at the same confining pressure with differential stresses between 20 and 200 MPa using either constant strain rate or stepping intervals of loading at constant stresses in a Paterson gas-medium deformation apparatus. The deformation tests took place at between 700 and 800°C and at strain rates between 10-6 and 10-3 s-1. After deformation to strains of about 25%, a bimodal distribution of large protoblasts and small recrystallized neoblasts coexisted in some samples loaded at higher stresses. The deformation data indicated a transition in mechanism from diffusion creep to dislocation creep. At stresses below 40 MPa, the strength was directly proportional to grain size and decreased with increasing Mg content due to the reductions in grain size. At about 40 MPa, the sensitivity of log strain rate to log stress, ( n), became greater than 1 and eventually exceeded 3 for stresses above 80 MPa. At a given strain rate and temperature, the stress at
Semiclassical analysis for diffusions and stochastic processes
Kolokoltsov, Vassili N
2000-01-01
The monograph is devoted mainly to the analytical study of the differential, pseudo-differential and stochastic evolution equations describing the transition probabilities of various Markov processes. These include (i) diffusions (in particular,degenerate diffusions), (ii) more general jump-diffusions, especially stable jump-diffusions driven by stable Lévy processes, (iii) complex stochastic Schrödinger equations which correspond to models of quantum open systems. The main results of the book concern the existence, two-sided estimates, path integral representation, and small time and semiclassical asymptotics for the Green functions (or fundamental solutions) of these equations, which represent the transition probability densities of the corresponding random process. The boundary value problem for Hamiltonian systems and some spectral asymptotics ar also discussed. Readers should have an elementary knowledge of probability, complex and functional analysis, and calculus.
Directory of Open Access Journals (Sweden)
Ron Pinhasi
2006-12-01
Full Text Available There is a growing body of evidence that the spread of farming in Europe was not a single uniform process, but that it involved a complex set of processes such as demic diffusion, folk migration, frontier mobility, and leapfrog colonisation. Archaeogenetic studies, which examine contemporary geographical variations in the frequencies of various genetic markers have not succeeded in addressing the complex Neolithisation process at the required level of spatial and temporal resolution. Moreover, these studies are based on modern populations, and their interpretive genetic maps are often affected by post-Neolithic dispersals, migrations, and population movements in Eurasia. Craniometric studies may provide a solid link between the archaeological analysis of past events and their complex relationship to changes and fluctuations in corresponding morphological and thus biological variations. This paper focuses on the study of craniometric variations between and within Pre-Pottery Neolithic, Pottery Neolithic, and Early Neolithic specimens from the Near East, Anatolia and Europe. It addresses the meaning of the observed multivariate morphometric variations in the context of the spread of farming in Europe.
International Nuclear Information System (INIS)
Jorge, M.P.P.
1992-01-01
This study consists of the determination of thermal diffusivity int he temperature range from 77 K to 300 K by the two-beam phase-lag photoacoustic method. Room temperature measurements of NTD (neutron transmutation doping) silicon suggest that the doping process does not affect its thermal properties. For the superconductor Y Ba 2 Cu 3 O 7 - x it has been verified that the sample density affects its thermal diffusivity. The validity of the experimental method on the Li K SO 4 crystal has been examined by using the thermal diffusivity of a Li F crystal and an Y 2 O 3 ceramic, at room temperature. The behavior of the thermal diffusivity as a function of the temperature for the Li K SO 4 crystal shows two anomalies which correspond at phase-transitions of this crystal in the studied temperature range. (author)
Restrepo, Oscar A.; Mousseau, Normand; Trochet, Mickaël; El-Mellouhi, Fedwa; Bouhali, Othmane; Becquart, Charlotte S.
2018-02-01
Carbon diffusion and segregation in iron is fundamental to steel production but is also associated with corrosion. Using the kinetic activation-relaxation technique (k-ART), a kinetic Monte Carlo (KMC) algorithm with an on-the-fly catalog that allows to obtain diffusion properties over large time scales taking into account long-range elastic effects coupled with an EAM force field, we study the motion of a carbon impurity in four Fe systems with high-angle grain boundaries (GB), focusing on the impact of these extended defects on the long-time diffusion of C. Short and long-time stability of the various GBs is first analyzed, which allows us to conclude that the Σ 3 (1 1 1 ) θ =109 .53∘ GB is unstable, with Fe migration barriers of ˜0.1 eV or less, and C acts as a pinning center. Focusing on three stable GBs, in all cases, these extended defects trap C in energy states lower than found in the crystal. Yet, contrary to general understanding, we show, through simulations extending to 0.1 s, that even tough C diffusion takes place predominantly in the GB, it is not necessarily faster than in the bulk and can even be slower by one to two orders of magnitude depending on the GB type. Analysis of the energy landscape provided by k-ART also shows that the free cavity volume around the impurity is not a strong predictor of diffusion barrier height. Overall, results show rather complex diffusion kinetics intimately dependent on the local environment.
Indian Academy of Sciences (India)
First page Back Continue Last page Overview Graphics. TRANSIT. SYSTEM: DETERMINE 2D-POSITION GLOBALLY BUT INTERMITTENT (POST-FACTO). IMPROVED ACCURACY. PRINCIPLE: POLAR SATELLITES WITH INNOVATIONS OF: GRAVITY-GRADIENT ATTITUDE CONTROL; DRAG COMPENSATION. WORKS ...
Random path formulation of nonrelativistic quantum mechanics
International Nuclear Information System (INIS)
Roncadelli, M.
1993-01-01
Quantum amplitudes satisfy (almost) the same calculus that probabilities obey in the theory of classical stochastic diffusion processes. As a consequence of this structural analogy, a new formulation of (nonrelativistic) quantum mechanics naturally arises as the quantum counterpart of the Langevin description of (classical) stochastic diffusion processes. Quantum fluctuations are simulated here by a Fresnel white noise (FWN), which is a (real) white noise with imaginary diffusion constant, whose functional (pseudo) measure yields the amplitude distribution for its configurations. Central to this approach is the idea that classical dynamical trajectories in configuration space are perturbed by the FWN. Hence, a single (arbitrary) classical dynamical path gets replaced by a family of quantum random paths (QRPs) - one for each FWN sample - all originating from the same space-time point (x', t'). The QRPs are the basic objects of the present formulation and are given by a Langevin equation with the FWN, whose drift is controlled by a (arbitrary) solution to the classical Hamilton-Jacobi equation. So, our approach is manifestly based on classical dynamics. Now, a transition amplitude is associated with each QRP: it gives the amplitude that a particle starting from (x', t') will reach (x'', t'') by travelling just along the considered QRP. The quantum mechanical propagator (x'', t'' modul x', t') then emerges as the FWN average of the transition amplitude along a QRP. Thus, quantum mechanics looks like classical mechanics as perturbed by the FWN. The general structure of this formulation is discussed in detail, along with some practical and conceptual implications. (author). 14 refs
International Nuclear Information System (INIS)
Han, K.; Shen, B.; Tang, N.; Tang, Y.Q.; He, X.W.; Qin, Z.X.; Yang, Z.J.; Zhang, G.Y.; Lin, T.; Zhu, B.; Zhou, W.Z.; Chu, J.H.
2007-01-01
Electron-electron interaction effect of the two-dimensional electron gas (2DEG) in Al x Ga 1-x N/GaN heterostructures has been investigated by means of magnetotransport measurements at low temperatures. From the temperature dependence of the longitudinal conductivity of the heterostructures, a clear transition region has been observed. Based on the theoretical analysis, we conclude that this region corresponds to the transition from the diffusive regime to the ballistic regime of the 2DEG transport property. The interaction constant is determined to be -0.423, which is consistent with the theoretical prediction. However, the critical temperature for the transition, which is 8 K in Al x Ga 1-x N/GaN heterostructures, is much higher than the theoretical prediction
Campbell, R. H.; Kolstad, R. B.; Holle, D. F.; Miller, T. J.; Krause, P.; Horton, K.; Macke, T.
1983-01-01
Path Pascal is high-level experimental programming language based on PASCAL, which incorporates extensions for systems and real-time programming. Pascal is extended to treat real-time concurrent systems.
Zhang, Lei; Hoede, C.
2002-01-01
In this paper the concept of utterance path is investigated. In the theory of knowledge graphs sentences are represented by socalled sentence graphs. The sentence graph of a sentence can be obtained by structural parsing of the sentence. Here we study the problem of determining rules for uttering
Zhang, Zhijun; Gao, Jingxin; Zhang, Shiwei
2016-10-01
A frozen phase transition model is developed to investigate the heat and mass transfer of a single water droplet during the vacuum freezing process. The model is based on the diffusion-controlled evaporation mechanism and phase transition characteristics. The droplet vacuum freezing process can be divided into three stages according to the droplet states and the time order. It includes the evaporation freezing stage, the isothermal freezing stage and the sublimation freezing stage. A numerical calculation is performed, and the result is analysed. The effects of the vacuum chamber pressure, initial droplet diameter and initial droplet temperature on the heat and mass transfer characteristics at each stage are studied. The droplet experiences supercooling breakdown at the end of the evaporation freezing stage before the isothermal freezing stage begins. The temperature is transiently raised as a result of the supercooling breakdown phenomenon, whose effects on the freezing process and freezing parameters are considered.
Iizuka, M.
2014-01-01
Transition towards low carbon development (LCD) is an urgent challenge for the global community. As increased economic activities usually result in more carbon emissions, this challenge is particularly crucial for rapidly growing emerging countries. For these countries, reducing carbon emissions
Diffusion of interstitials in metallic systems, illustration of a complex study case: aluminum.
David, Matthieu; Connétable, Damien
2017-10-19
While diffusion mechanisms of interstitial elements in fcc systems are generally well-known, especially in the case of H atoms, we show in this work that even in the case of a simple metallic system (aluminum), the diffusion of interstitials exhibits a wide variety of paths and mechanisms that depend on the specie. We used an approach based on first-principles calculations associated with kinetic Monte-Carlo simulations and a multi-state diffusion formalism to compute the diffusion coefficients of five interstitial elements: hydrogen, boron, carbon, nitrogen and oxygen. For instance, at the atomic scale, whilst we find that C atoms prefer to be located in octahedral sites (labeled o) rather than in tetrahedral positions (labeled t), we find one additional stable position in the lattice (M). The diffusion through these three stable positions are thus studied in detail. In the case of B atoms, for which the tetrahedral site is found unstable, the diffusion path is between o-o sites. Similarly, in the case of oxygen, t positions are found to be the only stable positions (o are unstable) and the path of migration, along t-t direction, is found through a twice degenerated asymmetric transition state. In the case of H and N atoms for which t and o sites are stable, we explain why the only path is along the t-o direction. Finally, we discuss explicit formulas to compute coefficients of diffusion of interstitials in fcc structures.
Diffusion of interstitials in metallic systems, illustration of a complex study case: aluminum
David, Matthieu; Connétable, Damien
2017-11-01
While diffusion mechanisms of interstitial elements in fcc systems are generally well-known, especially in the case of H atoms, we show in this work that even in the case of a simple metallic system (aluminum), the diffusion of interstitials exhibits a wide variety of paths and mechanisms that depend on the specie. We used an approach based on first-principles calculations associated with kinetic Monte-Carlo simulations and a multi-state diffusion formalism to compute the diffusion coefficients of five interstitial elements: hydrogen, boron, carbon, nitrogen and oxygen. For instance, at the atomic scale, whilst we find that C atoms prefer to be located in octahedral sites (labeled o) rather than in tetrahedral positions (labeled t), we find one additional stable position in the lattice (M). The diffusion through these three stable positions are thus studied in detail. In the case of B atoms, for which the tetrahedral site is found unstable, the diffusion path is between o-o sites. Similarly, in the case of oxygen, t positions are found to be the only stable positions (o are unstable) and the path of migration, along t-t direction, is found through a twice degenerated asymmetric transition state. In the case of H and N atoms for which t and o sites are stable, we explain why the only path is along the t-o direction. Finally, we discuss explicit formulas to compute coefficients of diffusion of interstitials in fcc structures.
DEFF Research Database (Denmark)
Karnøe, Peter; Garud, Raghu
2012-01-01
This paper employs path creation as a lens to follow the emergence of the Danish wind turbine cluster. Supplier competencies, regulations, user preferences and a market for wind power did not pre-exist; all had to emerge in a tranformative manner involving multiple actors and artefacts. Competenc......This paper employs path creation as a lens to follow the emergence of the Danish wind turbine cluster. Supplier competencies, regulations, user preferences and a market for wind power did not pre-exist; all had to emerge in a tranformative manner involving multiple actors and artefacts....... Competencies emerged through processes and mechanisms such as co-creation that implicated multiple learning processes. The process was not an orderly linear one as emergent contingencies influenced the learning processes. An implication is that public policy to catalyse clusters cannot be based...
Path integrals and quantum processes
Swanson, Marc S
1992-01-01
In a clearly written and systematic presentation, Path Integrals and Quantum Processes covers all concepts necessary to understand the path integral approach to calculating transition elements, partition functions, and source functionals. The book, which assumes only a familiarity with quantum mechanics, is ideal for use as a supplemental textbook in quantum mechanics and quantum field theory courses. Graduate and post-graduate students who are unfamiliar with the path integral will also benefit from this contemporary text. Exercise sets are interspersed throughout the text to facilitate self-
International Nuclear Information System (INIS)
Maya Sopha, Bertha; Kloeckner, Christian A.; Hertwich, Edgar G.
2011-01-01
Change in home heating to more efficient and renewable systems is important for a sound climate policy. The present paper aims to identify potential interventions for the uptake of wood-pellet heating in Norway using an agent-based model (ABM). The theoretically based, empirically founded, agent-based simulation demonstrates that financial support, i.e., a stable wood-pellet price, and technical development, i.e., functional reliability improvement, have to be established all at the same time for a successful wood-pellet market to start. Furthermore, a soft intervention through persuading households to use environmentally beneficial heating system is not a promising driver for wood-pellet diffusion. Limitations and suggestions for future work are also discussed. - Research highlights: → The theoretically based, empirically founded, agent-based simulation is applied to investigate potential policy options toward diffusion of wood-pellet heating in Norway. → Relative advantages are necessary for wood-pellet heating to be adopted, consistent with Diffusion of Innovation theory (). → Simultaneous development is also required for further uptake of wood-pellet heating, supporting the existing empirical hypothesis by . → Persuading households to use environmentally friendly heating system is not a promising driver, in line with empirical finding of , who investigated psychological factors underlying the adoption of wood-pellet heating.
Raveau, Bernard
2017-06-01
The role of barium in the structural chemistry of some transition metal oxides of the series "Cu, Mn, Fe,Co" is reviewed, based on its size effect and its particular chemical bonding. Its impact upon various properties, superconductivity, magnetism, multiferroism, oxygen storage is emphasized. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Muhaimin, T.A.; Nikolaos, M.
2014-01-01
In context of rising demand for energy amidst limited resources, energy efficiency is one of the major concerns of a modernized world. Gas consumption in the built environment constitutes for more than 30% of the overall energy consumption in the world. Hence, energy transitions and their
Zhang, Lei; Hoede, C.
2002-01-01
In this paper the concept of utterance path is investigated. In the theory of knowledge graphs sentences are represented by socalled sentence graphs. The sentence graph of a sentence can be obtained by structural parsing of the sentence. Here we study the problem of determining rules for uttering the sentence graph. Given a sentence graph there are usually several ways how such a graph can be brought under words, i.e. can be uttered. The sentences arising from these ways of uttering consist o...
International Nuclear Information System (INIS)
Prokhorov, L.V.
1982-01-01
Problems related to consideration of operator nonpermutability in Hamiltonian path integral (HPI) are considered in the review. Integrals are investigated using trajectories in configuration space (nonrelativistic quantum mechanics). Problems related to trajectory integrals in HPI phase space are discussed: the problem of operator nonpermutability consideration (extra terms problem) and corresponding equivalence rules; ambiguity of HPI usual recording; transition to curvilinear coordinates. Problem of quantization of dynamical systems with couplings has been studied. As in the case of canonical transformations, quantization of the systems with couplings of the first kind requires the consideration of extra terms
Tamada, Tsutomu; Sone, Teruki; Jo, Yoshimasa; Toshimitsu, Shinya; Yamashita, Takenori; Yamamoto, Akira; Tanimoto, Daigo; Ito, Katsuyoshi
2008-09-01
To investigate the utility of apparent diffusion coefficient (ADC) values for discriminating tumor in patients with prostate cancer from normal prostatic tissues in healthy adult men, and to identify correlations between ADC and histologic grade of prostate cancer. A total of 125 healthy male volunteers (mean age, 60 years; range, 50-86 years) and 90 prostate cancer patients (mean age, 71 years; range, 51-88 years) underwent diffusion-weighted imaging (DWI) of the prostate with a single-shot echo-planar imaging sequence using b-factors of 0 and 800 sec/mm2. ADC was measured from two locations in the peripheral zone (PZ) and two locations in the central gland (CG) in normal subjects, and tumor locations of PZ or transition zone (TZ) in patients with prostate cancer. Mean ADC values of tumor regions in both PZ (1.02+/-0.25x10(-3) mm2/sec) and TZ (0.94+/-0.21x10(-3) mm2/sec) were significantly lower than those in the corresponding normal regions (1.80+/-0.27x10(-3) mm2/sec and 1.34+/-0.14x10(-3) mm2/sec, respectively) (P<0.0001 each). Furthermore, a significant negative correlation was identified between ADC in PZ cancer and tumor Gleason score (rho=-0.497, P<0.0001). ADC values appear to provide acceptable diagnostic accuracy in both PZ and TZ. Copyright (c) 2008 Wiley-Liss, Inc.
Park, Baek Sung; Hyung, Kyung Hee; Oh, Gwi Jeong; Jung, Hyun Wook
2018-02-01
The color filter (CF) is one of the key components for improving the performance of TV displays such as liquid crystal display (LCD) and white organic light emitting diodes (WOLED). The profile defects like undercut during the fine fabrication processes for CF layers are inevitably generated through the UV exposure and development processes, however, these can be controlled through the baking process. In order to resolve the profile defects of CF layers, in this study, the real-time dynamic changes of CF layers are monitored during the baking process by changing components such as polymeric binder and acrylate. The motion of pigment particles in CF layers during baking is quantitatively interpreted using multi-speckle diffusing wave spectroscopy (MSDWS), in terms of the autocorrelation function and the characteristic time of α-relaxation.
Directory of Open Access Journals (Sweden)
Betty Gill
2013-08-01
Full Text Available A Third Generation approach to the first year experience and transition is widely recognised as essential and current best practice. However the significant challenges to institutions in achieving such an approach is broadly acknowledged. This Practice Report outlines the beginning attempts of one institution to recognise such a goal, and is designed to seek input and insight from workshop participants on proven strategies to progress this goal.
Co boundary diffusion in zircon-α grains
International Nuclear Information System (INIS)
Corvalan, C; Iribarren, M; Dyment, F
2006-01-01
Diffusion in solid state plays a decisive part in most metallurgical processes and, therefore, determining the values of the diffusion coefficients becomes very important. Diffusion in materials in general and in metals in particular occurs because of defects. These can be classified as specific, lineal, bi- and tri-dimensional, and coefficients may be determined for diffusion volume, grain and interphase boundary diffusion, diffusion dislocation, and surface diffusion. A grain boundary (GB) is defined as the region of transition between two adjacent crystals in a single-phase material, which are in contact and only differ in crystallographic orientation. When the transition zone between two grains occurs between two phases of an alloy, it is called interphase boundary (IB). The GB as well as the IB show migration speeds several orders of magnitude greater than those for the volumes of the adjacent regions. At temperatures where the diffusion volume can be considered practically nil, an appreciable although localized amount of material can be displaced along the 'fast-paths'. This implies that not only the diffusion itself, but also the associated phenomena on the grain and interphase boundaries are accelerating. Among these phenomena are: plastic deformation and corrosion at high temperature, stability of precipitates in a synthesized matrix, surface treatments, solid state transformations in general, etc. The experimental determination of the coefficients of diffusion in grain boundaries (GB) and interphase boundaries (IB) yields information about the speeds of migration in the intergranular regions, where important and localized phenomena occur. The B and C kinetics from the Harrison classification are used in this study, which provide reliable results although with some restrictions. This study presents the results of Co diffusion in the GB of pure Zr-α, in the temperature range [430-633] K, with those for C kinetics being the first in this type of material
International Nuclear Information System (INIS)
Adamczyk, M.; Kozielski, L.; Lisinska-Czekaj, A.; Czekaj, D.
2011-01-01
Highlights: → Profound electrical properties examination of interesting PBZT composition, with the superposition of piezoelectric and relaxor properties. → Explanation of unusual behavior of dielectric characteristics, especially of a low frequency dispersion that appears in paraelectric phase → We can assume that the response will be a combination of three key factors: relaxor (changing polar regions), piezoelectric (reducing the remanent polarization) and technology (processing). → Findings presented on the paper give a starting point for developing material to prevent or slow the progression of relaxor properties, what could be implementing in actuator and MEMS applications. - Abstract: In the present work the (Pb 0.84 Ba 0.16 )(Zr 0.54 Ti 0.46 )O 3 (PBZT 16/54/46) ceramics has been studied from the point of view of its electrical properties. Dielectric properties of PBZT were measured within the temperature range of the ferroelectric-paraelectric (FE-PE) phase transition region. The method of field-induced thermally stimulated currents (FITSC) was applied and thus the thermal relaxation effects were studied. The observed field dependence of thermally stimulated depolarization currents has revealed the existence of different frequency-dependent relaxation processes in the temperature range between 200 and 400 deg. C. Our experiment demonstrates that modification of ferroelectric materials with isovalent ions, but bigger radii than the origin atom, significantly affect its properties, particularly the PBZT real part of electrical permittivity shows the phase transition character change from ferroelectric to relaxor and finally, that electrical examination can be effectively used for drawing decisive applications conclusions considering polarization parameters distribution.
Energy Technology Data Exchange (ETDEWEB)
Mimouni, N.; Chikh, S.; Rahli, O. [Laboratoire LTPMP, Fac GMGP, USTHB, BP 32, Alia, Bab Ezzouar, Algiers (Algeria); Bennacer, R., E-mail: Rachid.Bennacer@ens-cachan.fr [LMT-ENS Cachan, 61 av. du président Wilson F-94235 Cachan Cedex (France)
2014-07-15
Two-dimensional (2D) and three-dimensional (3D) numerical simulations of double diffusion natural convection in an elongated enclosure filled with a binary fluid saturating a porous medium are carried out in the present work. The Boussinesq approximation is made in the formulation of the problem, and Neumann boundary conditions for temperature and concentration are adopted, respectively, on vertical and horizontal walls of the cavity. The used numerical method is based on the control volume approach, with the third order quadratic upstream interpolation scheme in approximating the advection terms. A semi implicit method algorithm is used to handle the velocity-pressure coupling. To avoid the excessively high computer time inherent to the solution of 3D natural convection problems, full approximation storage with full multigrid method is used to solve the problem. A wide range of the controlling parameters (Rayleigh-Darcy number Ra, lateral aspect ratio Ay, Lewis number Le, and the buoyancy ration N) is investigated. We clearly show that increasing the depth of the cavity (i.e., the lateral aspect ratio) has an important effect on the flow patterns. The 2D perfect parallel flows obtained for small lateral aspect ratio are drastically destabilized by increasing the cavity lateral dimension. This yields a 3D fluid motion with a much more complex flow pattern and the usually considered 2D parallel flow model cannot be applied.
Kim, Minseok; Pangle, Luke A.; Cardoso, Charléne; Lora, Marco; Volkmann, Till H. M.; Wang, Yadi; Harman, Ciaran J.; Troch, Peter A.
2016-09-01
Transit times through hydrologic systems vary in time, but the nature of that variability is not well understood. Transit times variability was investigated in a 1 m3 sloping lysimeter, representing a simplified model of a hillslope receiving periodic rainfall events for 28 days. Tracer tests were conducted using an experimental protocol that allows time-variable transit time distributions (TTDs) to be calculated from data. Observed TTDs varied with the storage state of the system, and the history of inflows and outflows. We propose that the observed time variability of the TTDs can be decomposed into two parts: "internal" variability associated with changes in the arrangement of, and partitioning between, flow pathways; and "external" variability driven by fluctuations in the flow rate along all flow pathways. These concepts can be defined quantitatively in terms of rank StorAge Selection (rSAS) functions, which is a theory describing lumped transport dynamics. Internal variability is associated with temporal variability in the rSAS function, while external is not. The rSAS function variability was characterized by an "inverse storage effect," whereby younger water is released in greater proportion under wetter conditions than drier. We hypothesize that this effect is caused by the rapid mobilization of water in the unsaturated zone by the rising water table. Common approximations used to model transport dynamics that neglect internal variability were unable to reproduce the observed breakthrough curves accurately. This suggests that internal variability can play an important role in hydrologic transport dynamics, with implications for field data interpretation and modeling.
Schneider, Matthias N.; Biquard, Xavier; Stiewe, Christian; Schröder, Thorsten; Urban, Philipp; Oeckler, Oliver
2012-01-01
Temperature dependent phase transitions of compounds (GeTe)(n)Sb₂Te₃ (n = 6, 12, 15) have been investigated by in situ microfocus Laue diffraction. Diffusion processes involving cation defect ordering at similar to 300 degrees C lead to different nanostructures which are correlated to changes of the thermoelectric characteristics.
Emory, A. E.; Wick, G. A.; Dunion, J. P.; McLinden, M.; Schreier, M. M.; Black, P.; Hood, R. E.; Sippel, J.; Tallapragada, V.
2017-12-01
The impacts of Harvey, Irma, and Maria during the 2017 Atlantic hurricane season re-emphasized the critical need for accurate operational forecasts. The combined NASA East Pacific Origins and Characteristics of Hurricanes (EPOCH) and NOAA UAS field campaign during August 2017 was the fourth campaign in a series of dual agency partnerships between NASA and NOAA to improve forecasting accuracy in tropical cyclogenesis and rapid intensification. A brief history of Global Hawk (GH) hurricane field campaigns, including GRIP (2010), HS3 (2012-2014), NOAA-SHOUT (2015-2016) and EPOCH (2017), will show the incremental steps taken over the last eight years to bring the GH from a research platform to a candidate for operational hurricane reconnaissance. GH dropsondes were assimilated into the ECMWF and HWRF forecast models during the 2015-2016 NOAA SHOUT campaigns. EPOCH marked the first time that GH dropsondes were assimilated in real-time into NOAA's GFS forecast model. Early results show that assimilating dropsonde data significantly increases skill in predicting intensity change, which is game changing since the National Hurricane Center intensity error trend has remained virtually unchanged, particularly at 24 hours, over the last 25 years. The results from the past few years suggest that a paradigm shift of sampling the environment with a high-altitude, long-duration UAS like the GH that is capable of deploying up to 90 dropsondes ahead of and over the top of a developing or strengthening tropical cyclone could produce the best return on hurricane forecast predictions in subsequent years. Recommendations for the future, including lessons learned and the potential for R2O transition will be discussed.
Direct Entry Minimal Path UAV Loitering Path Planning
Directory of Open Access Journals (Sweden)
Jay P. Wilhelm
2017-04-01
Full Text Available Fixed Wing Unmanned Aerial Vehicles (UAVs performing Intelligence, Surveillance and Reconnaissance (ISR typically fly over Areas of Interest (AOIs to collect sensor data of the ground from the air. If needed, the traditional method of extending sensor collection time is to loiter or turn circularly around the center of an AOI. Current Autopilot systems on small UAVs can be limited in their feature set and typically follow a waypoint chain system that allows for loitering, but requires that the center of the AOI to be traversed which may produce unwanted turns outside of the AOI before entering the loiter. An investigation was performed to compare the current loitering techniques against two novel smart loitering methods. The first method investigated, Tangential Loitering Path Planner (TLPP, utilized paths tangential to the AOIs to enter and exit efficiently, eliminating unnecessary turns outside of the AOI. The second method, Least Distance Loitering Path Planner (LDLPP, utilized four unique flight maneuvers that reduce transit distances while eliminating unnecessary turns outside of the AOI present in the TLPP method. Simulation results concluded that the Smart Loitering Methods provide better AOI coverage during six mission scenarios. It was also determined that the LDLPP method spends less time in transit between AOIs. The reduction in required transit time could be used for surveying additional AOIs.
A Model of Path Arrival Rate for In-Room Radio Channels with Directive Antennas
DEFF Research Database (Denmark)
Pedersen, Troels
We analyze the path arrival rate for an inroom radio channel with directive antennas. The impulse response of this channel exhibits a transition from early separate components followed by a diffuse reverberation tail. Under the assumption that the transmitter’s (or receiver’s) position and orient......We analyze the path arrival rate for an inroom radio channel with directive antennas. The impulse response of this channel exhibits a transition from early separate components followed by a diffuse reverberation tail. Under the assumption that the transmitter’s (or receiver’s) position...... of the transmitter and receiver antennas. Making use of the exact formula, we characterize the onset of the diffuse tail by defining a “mixing time” as the point in time where the arrival rate exceeds one component per transmit pulse duration. We also give an approximation for the powerdelay spectrum. It turns out...... that the power-delay spectrum is unaffected by the antenna directivity. However, Monte Carlo simulations show that antenna directivity does indeed play an important role for the distribution of instantaneous mean delay and rms delay spread....
Path probabilities of continuous time random walks
International Nuclear Information System (INIS)
Eule, Stephan; Friedrich, Rudolf
2014-01-01
Employing the path integral formulation of a broad class of anomalous diffusion processes, we derive the exact relations for the path probability densities of these processes. In particular, we obtain a closed analytical solution for the path probability distribution of a Continuous Time Random Walk (CTRW) process. This solution is given in terms of its waiting time distribution and short time propagator of the corresponding random walk as a solution of a Dyson equation. Applying our analytical solution we derive generalized Feynman–Kac formulae. (paper)
New framework for the Feynman path integral
International Nuclear Information System (INIS)
Shaharir, M.Z.
1986-01-01
The well-known Fourier integral solution of the free diffusion equation in an arbitrary Euclidean space is reduced to Feynmannian integrals using the method partly contained in the formulation of the Fresnelian integral. By replacing the standard Hilbert space underlying the present mathematical formulation of the Feynman path integral by a new Hilbert space, the space of classical paths on the tangent bundle to the Euclidean space (and more general to an arbitrary Riemannian manifold) equipped with a natural inner product, we show that our Feynmannian integral is in better agreement with the qualitative features of the original Feynman path integral than the previous formulations of the integral
Path probabilities of continuous time random walks
Eule, Stephan; Friedrich, Rudolf
2014-12-01
Employing the path integral formulation of a broad class of anomalous diffusion processes, we derive the exact relations for the path probability densities of these processes. In particular, we obtain a closed analytical solution for the path probability distribution of a Continuous Time Random Walk (CTRW) process. This solution is given in terms of its waiting time distribution and short time propagator of the corresponding random walk as a solution of a Dyson equation. Applying our analytical solution we derive generalized Feynman-Kac formulae.
Feynman's path integrals and Bohm's particle paths
International Nuclear Information System (INIS)
Tumulka, Roderich
2005-01-01
Both Bohmian mechanics, a version of quantum mechanics with trajectories, and Feynman's path integral formalism have something to do with particle paths in space and time. The question thus arises how the two ideas relate to each other. In short, the answer is, path integrals provide a re-formulation of Schroedinger's equation, which is half of the defining equations of Bohmian mechanics. I try to give a clear and concise description of the various aspects of the situation. (letters and comments)
Directory of Open Access Journals (Sweden)
Lineu Corrêa Fonseca
2005-09-01
Full Text Available Atividade epileptiforme (AE no eletrencefalograma (EEG é achado comum entre as crises epilépticas e, menos freqüentemente, em outras condições clínicas. AE "subclínica" pode estar acompanhada de distúrbio cognitivo transitório (DCT. Foram estudados 30 pacientes (27 com epilepsia com AE generalizada ou difusa, freqüente, em EEG inicial. Em EEG subseqüente, foi avaliado o desempenho em testes de classificação visual de animais e objetos, discriminação de cores, memória verbal e auditiva, reconhecimento de padrões e estimação de tempo. Foi comparado, estatisticamente, o número de respostas corretas ou incorretas durante a AE e fora dela. DCT foi caracterizado em 43,3% dos casos. Em 23,3% a AE foi rara, não permitindo avaliação de DCT. Assim, pôde ser caracterizado comprometimento transitório de atividades cognitivas durante AE até então considerada "subclínica". Há necessidade de pesquisar a importância desse fator em pacientes com comprometimento cognitivo e de caracterizar as situações de eventuais benefícios na medicação dirigida à AE.Epileptiform EEG discharges (EED are a frequent finding in people with epilepsy, and may occur in other clinical conditions. Formal testing during EEG recording may demonstrate transitory cognitive impairment (TCI. Thirty patients (27 with epilepsy with generalized or diffuse EED on a previous examination were studied. The interaction between EED and cognitive tasks was evaluated on subsequent EEG. The numbers of correct or incorrect answers were compared with the occurrence or absence of EED. Results were analyzed by non parametric tests. TCI was characterized in 43.3% of the patients. In 23.3% the EED were rare and it was not possible to evaluate the occurrence of TCI. The findings confirm that otherwise subclinical EED may be accompanied by TCI. There is a need of researchs to evaluate the relevance of TCI and to determine when EED should be treated.
Webster, Gordon; Sass, Henrik; Cragg, Barry A; Gorra, Roberta; Knab, Nina J; Green, Christopher J; Mathes, Falko; Fry, John C; Weightman, Andrew J; Parkes, R John
2011-08-01
The prokaryotic activity, diversity and culturability of diffusion-controlled Aarhus Bay sediments, including the sulphate-methane transition zone (SMTZ), were determined using a combination of geochemical, molecular (16S rRNA and mcrA genes) and cultivation techniques. The SMTZ had elevated sulphate reduction and anaerobic oxidation of methane, and enhanced cell numbers, but no active methanogenesis. The prokaryotic population was similar to that in other SMTZs, with Deltaproteobacteria, Gammaproteobacteria, JS1, Planctomycetes, Chloroflexi, ANME-1, MBG-D and MCG. Many of these groups were maintained in a heterotrophic (10 mM glucose, acetate), sediment slurry with periodic low sulphate and acetate additions (~2 mM). Other prokaryotes were also enriched including methanogens, Firmicutes, Bacteroidetes, Synergistetes and TM6. This slurry was then inoculated into a matrix of substrate and sulphate concentrations for further selective enrichment. The results demonstrated that important SMTZ bacteria can be maintained in a long-term, anaerobic culture under specific conditions. For example, JS1 grew in a mixed culture with acetate or acetate/glucose plus sulphate. Chloroflexi occurred in a mixed culture, including in the presence of acetate, which had previously not been shown to be a Chloroflexi subphylum I substrate, and was more dominant in a medium with seawater salt concentrations. In contrast, archaeal diversity was reduced and limited to the orders Methanosarcinales and Methanomicrobiales. These results provide information about the physiology of a range of SMTZ prokaryotes and shows that many can be maintained and enriched under heterotrophic conditions, including those with few or no cultivated representatives. © 2011 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.
Path-integral simulation of solids.
Herrero, C P; Ramírez, R
2014-06-11
The path-integral formulation of the statistical mechanics of quantum many-body systems is described, with the purpose of introducing practical techniques for the simulation of solids. Monte Carlo and molecular dynamics methods for distinguishable quantum particles are presented, with particular attention to the isothermal-isobaric ensemble. Applications of these computational techniques to different types of solids are reviewed, including noble-gas solids (helium and heavier elements), group-IV materials (diamond and elemental semiconductors), and molecular solids (with emphasis on hydrogen and ice). Structural, vibrational, and thermodynamic properties of these materials are discussed. Applications also include point defects in solids (structure and diffusion), as well as nuclear quantum effects in solid surfaces and adsorbates. Different phenomena are discussed, as solid-to-solid and orientational phase transitions, rates of quantum processes, classical-to-quantum crossover, and various finite-temperature anharmonic effects (thermal expansion, isotopic effects, electron-phonon interactions). Nuclear quantum effects are most remarkable in the presence of light atoms, so that especial emphasis is laid on solids containing hydrogen as a constituent element or as an impurity.
Rate Theory for Correlated Processes: Double Jumps in Adatom Diffusion
DEFF Research Database (Denmark)
Jacobsen, J.; Jacobsen, Karsten Wedel; Sethna, J.
1997-01-01
We study the rate of activated motion over multiple barriers, in particular the correlated double jump of an adatom diffusing on a missing-row reconstructed platinum (110) surface. We develop a transition path theory, showing that the activation energy is given by the minimum-energy trajectory...... which succeeds in the double jump. We explicitly calculate this trajectory within an effective-medium molecular dynamics simulation. A cusp in the acceptance region leads to a root T prefactor for the activated rate of double jumps. Theory and numerical results agree....
Path Integrals in Quantum Mechanics
International Nuclear Information System (INIS)
Louko, J
2005-01-01
Jean Zinn-Justin's textbook Path Integrals in Quantum Mechanics aims to familiarize the reader with the path integral as a calculational tool in quantum mechanics and field theory. The emphasis is on quantum statistical mechanics, starting with the partition function Tr exp(-β H) and proceeding through the diffusion equation to barrier penetration problems and their semiclassical limit. The 'real time' path integral is defined via analytic continuation and used for the path-integral representation of the nonrelativistic S-matrix and its perturbative expansion. Holomorphic and Grassmannian path integrals are introduced and applied to nonrelativistic quantum field theory. There is also a brief discussion of path integrals in phase space. The introduction includes a brief historical review of path integrals, supported by a bibliography with some 40 entries. As emphasized in the introduction, mathematical rigour is not a central issue in the book. This allows the text to present the calculational techniques in a very readable manner: much of the text consists of worked-out examples, such as the quartic anharmonic oscillator in the barrier penetration chapter. At the end of each chapter there are exercises, some of which are of elementary coursework type, but the majority are more in the style of extended examples. Most of the exercises indeed include the solution or a sketch thereof. The book assumes minimal previous knowledge of quantum mechanics, and some basic quantum mechanical notation is collected in an appendix. The material has a large overlap with selected chapters in the author's thousand-page textbook Quantum Field Theory and Critical Phenomena (2002 Oxford: Clarendon). The stand-alone scope of the present work has, however, allowed a more focussed organization of this material, especially in the chapters on, respectively, holomorphic and Grassmannian path integrals. In my view the book accomplishes its aim admirably and is eminently usable as a textbook
Rare events via multiple reaction channels sampled by path replica exchange
Bolhuis, P.G.
2008-01-01
Transition path sampling (TPS) was developed for studying activated processes in complex systems with unknown reaction coordinate. Transition interface sampling (TIS) allows efficient evaluation of the rate constants. However, when the transition can occur via more than one reaction channel
Spin-diffusions and diffusive molecular dynamics
Farmer, Brittan; Luskin, Mitchell; Plecháč, Petr; Simpson, Gideon
2017-12-01
Metastable configurations in condensed matter typically fluctuate about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical molecular dynamics (MD) methods and has spurned the development of a host of approximate algorithms. One recently proposed method is diffusive MD which aims at integrating a system of ordinary differential equations describing the likelihood of occupancy by one of two species, in the case of a binary alloy, while quasistatically evolving the locations of the atoms. While diffusive MD has shown itself to be efficient and provide agreement with observations, it is fundamentally a model, with unclear connections to classical MD. In this work, we formulate a spin-diffusion stochastic process and show how it can be connected to diffusive MD. The spin-diffusion model couples a classical overdamped Langevin equation to a kinetic Monte Carlo model for exchange amongst the species of a binary alloy. Under suitable assumptions and approximations, spin-diffusion can be shown to lead to diffusive MD type models. The key assumptions and approximations include a well-defined time scale separation, a choice of spin-exchange rates, a low temperature approximation, and a mean field type approximation. We derive several models from different assumptions and show their relationship to diffusive MD. Differences and similarities amongst the models are explored in a simple test problem.
Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M
2013-03-15
The minimum energy path (MEP) of the reaction, CF(3)CHFCF(3) + H → transition state (TS) → CF(3)CFCF(3) + H(2), has been computed at different ab initio levels and with density functional theory (DFT) using different functionals. The computed B3LYP/6-31++G**, BH&HLYP/cc-pVDZ, BMK/6-31++G**, M05/6-31+G**, M05-2X/6-31+G**, UMP2/6-31++G**, PUMP2/6-31++G**//UMP2/6-31++G**, RCCSD(T)/aug-cc-pVDZ//UMP2/6-31++G**, RCCSD(T)/aug-cc-pVTZ(spd,sp)//UMP2//6-31++G**, RCCSD(T)/CBS//M05/6-31+G**, and RCCSD(T)/CBS//UMP2/6-31++G** MEPs, and associated gradients and Hessians, were used in reaction rate coefficient calculations based on the transition state theory (TST). Reaction rate coefficients were computed between 300 and 1500 K at various levels of TST, which include conventional TST, canonical variational TST (CVT) and improved CVT (ICVT), and with different tunneling corrections, namely, Wigner, zero-curvature, and small-curvature (SCT). The computed rate coefficients obtained at different ab initio, DFT and TST levels are compared with experimental values available in the 1000-1200 K temperature range. Based on the rate coefficients computed at the ICVT/SCT level, the highest TST level used in this study, the BH&HLYP functional performs best among all the functionals used, while the RCCSD(T)/CBS//MP2/6-31++G** level is the best among all the ab initio levels used. Comparing computed reaction rate coefficients obtained at different levels of theory shows that, the computed barrier height has the strongest effect on the computed reaction rate coefficients as expected. Variational effects on the computed rate coefficients are found to be negligibly small. Although tunneling effects are relatively small at high temperatures (~1500 K), SCT corrections are significant at low temperatures (~300 K), and both barrier heights and the magnitudes of the imaginary frequencies affect SCT corrections. Copyright © 2012 Wiley Periodicals, Inc.
Large Deviations for Gaussian Diffusions with Delay
Azencott, Robert; Geiger, Brett; Ott, William
2018-01-01
Dynamical systems driven by nonlinear delay SDEs with small noise can exhibit important rare events on long timescales. When there is no delay, classical large deviations theory quantifies rare events such as escapes from metastable fixed points. Near such fixed points, one can approximate nonlinear delay SDEs by linear delay SDEs. Here, we develop a fully explicit large deviations framework for (necessarily Gaussian) processes X_t driven by linear delay SDEs with small diffusion coefficients. Our approach enables fast numerical computation of the action functional controlling rare events for X_t and of the most likely paths transiting from X_0 = p to X_T=q. Via linear noise local approximations, we can then compute most likely routes of escape from metastable states for nonlinear delay SDEs. We apply our methodology to the detailed dynamics of a genetic regulatory circuit, namely the co-repressive toggle switch, which may be described by a nonlinear chemical Langevin SDE with delay.
Path Integrals in Quantum Mechanics
International Nuclear Information System (INIS)
Chetouani, L
2005-01-01
By treating path integrals the author, in this book, places at the disposal of the reader a modern tool for the comprehension of standard quantum mechanics. Thus the most important applications, such as the tunnel effect, the diffusion matrix, etc, are presented from an original point of view on the action S of classical mechanics while having it play a central role in quantum mechanics. What also emerges is that the path integral describes these applications more richly than are described traditionally by differential equations, and consequently explains them more fully. The book is certainly of high quality in all aspects: original in presentation, rigorous in the demonstrations, judicious in the choice of exercises and, finally, modern, for example in the treatment of the tunnel effect by the method of instantons. Moreover, the correspondence that exists between classical and quantum mechanics is well underlined. I thus highly recommend this book (the French version being already available) to those who wish to familiarize themselves with formulation by path integrals. They will find, in addition, interesting topics suitable for exploring further. (book review)
Energy Technology Data Exchange (ETDEWEB)
Tikhonov, A. M. [Russian Academy of Sciences (RAS), Moscow (Russian Federation). Kapitza Inst. for Physical Problems
2016-09-01
According to experimental data on X-ray scattering and reflectometry with synchrotron radiation, a twodimensional crystallization phase transition in a monolayer of melissic acid at the n-hexane–water interface with a decrease in the temperature occurs after a wetting transition.
Zhang, X. Y.; Cherniak, D. J.; Watson, E. B.
2004-05-01
Oxygen diffusion in natural and synthetic single-crystal titanite was characterized under both dry and water-present conditions. For the dry experiments, pre-polished titanite samples were packed in 18O-enriched quartz powder inside Ag-Pd capsules, along with an FMQ buffer assemblage maintained physically separate by Ag-Pd strips. The sealed Ag-Pd capsules were themselves sealed inside evacuated silica glass tubes and run at 700-1050° C and atmospheric pressure for durations ranging from 1 hour to several weeks. The hydrothermal experiments were conducted by encapsulating polished titanite crystals with 18O enriched water and running them at 700-900° C and 10-160MPa in standard cold-seal pressure vessels for durations of 1 day to several weeks. Diffusive uptake profiles of 18O were measured in all cases by nuclear reaction analysis (NRA) using the 18O (p,α ) 15N reaction. For the experiments on natural crystals, under both dry and hydrothermal conditions, two mechanisms could be recognized responsible for oxygen diffusion. The diffusion profiles showed two segments: a steep one close to the initial surface attributed to self-diffusion in the titanite lattice; and a "tail" reaching deeper into the sample attributable to diffusion in a "fast path" such as sub-grain boundaries or dislocations. For the dry experiments, the following Arrhenius relation was obtained: D{dry lattice} = 2.6×10-8exp (-275 kJmol-1/RT) m2/s Under wet conditions at PH2O = 100MPa, Oxygen diffusion conforms to the following Arrehenius relation: D{wet lattice} = 9.7× 10-13exp (-174 kJmol-1/RT) m2/s Oxygen diffusivity shows only a slight dependence on water pressure at the following conditions we explored: temperatures 800° C, PH2O = 10-160MPa, and 880° C, PH2O =10-100MPa. For diffusive anisotropy, we explored it only at hydrothermal conditions, and no diffusive anisotropy was observed. Like many other silicates, titanite shows lower activation energy for oxygen diffusion in the presence of
Multi-Dimensional Path Queries
DEFF Research Database (Denmark)
Bækgaard, Lars
1998-01-01
that connects a pair of paths. A path expression is a function that maps a set of path sets into a path set. Path sets can be joined, filtering conditions can restrict the set of qualifying paths, and aggregation functions can be applied to path elements. In particular, the aggregation function SET can be used...... to create nested path structures. We present an SQL-like query language that is based on path expressions and we show how to use it to express multi-dimensional path queries that are suited for advanced data analysis in decision support environments like data warehousing environments...
Földeák, Dóra; Kalapos, Anita; Domsik, Péter; Sinkó, Mária; Szeleczki, Nóra; Bagdi, Enikő; Krenács, László; Forster, Tamás; Borbényi, Zita; Nemes, Attila
2017-02-01
Secondary myocardial involvement by diffuse large B-cell lymphoma is a rare occurrence. Left ventricular (LV) twist is considered an essential part of LV function. In normal circumstances LV twist results from the movement of two orthogonally oriented muscular bands of a helical myocardial structure with consequent clockwise rotation of the base and counterclockwise rotation of the apex. Three-dimensional (3D) speckle-tracking echocardiography (3DSTE) has been found to be feasible for non-invasive 3D quantification of LV wall motion and rotational mechanics. The present report aimed to assess LV twisting motion in a patient with diffuse large B-cell lymphoma with positron emission tomography/computer tomography-proven cardiac involvement by 3DSTE. During 3DSTE, reduction in some segmental radial, longitudinal, circumferential, area and 3D LV strains were found. Apical and basal LV rotations were found to be in the same counterclockwise direction, confirming near absence of LV twist - so-called rigid body rotation. Copyright © 2016 Sociedade Portuguesa de Cardiologia. Publicado por Elsevier España, S.L.U. All rights reserved.
DEFF Research Database (Denmark)
Schultz, Ulrik Pagh
2007-01-01
. Programming a modular, self-reconfigurable robot is however a complicated task: the robot is essentially a real-time, distributed embedded system, where control and communication paths often are tightly coupled to the current physical configuration of the robot. To facilitate the task of programming modular....... This approach allows the programmer to dynamically distribute behaviors throughout a robot and moreover provides a partial abstraction over the concrete physical shape of the robot. We have implemented a prototype of a distributed control diffusion system for the ATRON modular, self-reconfigurable robot......, self-reconfigurable robots, we present the concept of distributed control diffusion: distributed queries are used to identify modules that play a specific role in the robot, and behaviors that implement specific control strategies are diffused throughout the robot based on these role assignments...
International Nuclear Information System (INIS)
Prokhorov, L.V.
1982-01-01
The properties of path integrals associated with the allowance for nonstandard terms reflecting the operator nature of the canonical variables are considered. Rules for treating such terms (''equivalence rules'') are formulated. Problems with a boundary, the behavior of path integrals under canonical transformations, and the problem of quantization of dynamical systems with constraints are considered in the framework of the method
Reparametrization in the path integral over finite dimensional manifold with a time-dependent metric
International Nuclear Information System (INIS)
Storchak, S.N.
1988-01-01
The path reparametrization procedure in the path integral is considered using the methods of stochastic processes for diffusion on finite dimensional manifold with a time-dependent metric. the reparametrization Jacobian has been obtained. The formulas of reparametrization for a symbolic presentation of the path integral have been derived
Continuous-time random walk and parametric subordination in fractional diffusion
Energy Technology Data Exchange (ETDEWEB)
Gorenflo, Rudolf [Department of Mathematics and Informatics, Free University of Berlin, Arnimallee 3, D-14195 Berlin (Germany); Mainardi, Francesco [Department of Physics, University of Bologna and INFN, Via Irnerio 46, I-40126 Bologna (Italy)]. E-mail: mainardi@bo.infn.it; Vivoli, Alessandro [Department of Physics, University of Bologna and INFN, Via Irnerio 46, I-40126 Bologna (Italy)
2007-10-15
The well-scaled transition to the diffusion limit in the framework of the theory of continuous-time random walk (CTRW) is presented starting from its representation as an infinite series that points out the subordinated character of the CTRW itself. We treat the CTRW as a combination of a random walk on the axis of physical time with a random walk in space, both walks happening in discrete operational time. In the continuum limit, we obtain a (generally non-Markovian) diffusion process governed by a space-time fractional diffusion equation. The essential assumption is that the probabilities for waiting times and jump-widths behave asymptotically like powers with negative exponents related to the orders of the fractional derivatives. By what we call parametric subordination, applied to a combination of a Markov process with a positively oriented Levy process, we generate and display sample paths for some special cases.
Torres-Carbajal, Alexis; Castañeda-Priego, Ramón
2018-03-07
We report on the friction and diffusion of a single mobile nano-colloidal disk, whose size and mass are one and two orders of magnitude, respectively, greater than the molecules of the host solvent; all particles are restricted to move in a two-dimensional space. Using molecular dynamics simulations, the variation of the transport coefficients as a function of the thermodynamic state of the supporting fluid, in particular, around those states in the neighbourhood of the liquid-liquid phase coexistence, is investigated. The diffusion coefficient is determined through the fit of the mean-square displacement at long times and with the Green-Kubo relationship for the velocity autocorrelation function, whereas the friction coefficient is computed from the correlation of the fluctuating force. From the determination of the transport properties, the applicability of the Stokes-Einstein relation in two dimensions around the second critical point is discussed.
Simons, Jacob V., Jr.
2017-01-01
The critical path method/program evaluation and review technique method of project scheduling is based on the importance of managing a project's critical path(s). Although a critical path is the longest path through a network, its location in large projects is facilitated by the computation of activity slack. However, logical fallacies in…
Two dimensional simplicial paths
International Nuclear Information System (INIS)
Piso, M.I.
1994-07-01
Paths on the R 3 real Euclidean manifold are defined as 2-dimensional simplicial strips which are orbits of the action of a discrete one-parameter group. It is proven that there exists at least one embedding of R 3 in the free Z-module generated by S 2 (x 0 ). The speed is defined as the simplicial derivative of the path. If mass is attached to the simplex, the free Lagrangian is proportional to the width of the path. In the continuum limit, the relativistic form of the Lagrangian is recovered. (author). 7 refs
International Nuclear Information System (INIS)
DeWitt-Morette, C.
1983-01-01
Much is expected of path integration as a quantization procedure. Much more is possible if one recognizes that path integration is at the crossroad of stochastic and differential calculus and uses the full power of both stochastic and differential calculus in setting up and computing path integrals. In contrast to differential calculus, stochastic calculus has only comparatively recently become an instrument of thought. It has nevertheless already been used in a variety of challenging problems, for instance in the quantization problem. The author presents some applications of the stochastic scheme. (Auth.)
Including Torsional Anharmonicity in Canonical and Microcanonical Reaction Path Calculations.
Zheng, Jingjing; Truhlar, Donald G
2013-07-09
We reformulate multistructural variational transition state theory by removing the approximation of calculating torsional anharmonicity only at stationary points. The multistructural method with torsional anharmonicity is applied to calculate the reaction-path free energy of the hydrogen abstraction from the carbon-1 position in isobutanol by OH radical. The torsional potential anharmonicity along the reaction path is taken into account by a coupled torsional potential. The calculations show that it can be critical to include torsional anharmonicity in searching for canonical and microcanonical variational transition states. The harmonic-oscillator approximation fails to yield reasonable free energy curves along the reaction path.
Path planning in changeable environments
Nieuwenhuisen, D.
2007-01-01
This thesis addresses path planning in changeable environments. In contrast to traditional path planning that deals with static environments, in changeable environments objects are allowed to change their configurations over time. In many cases, path planning algorithms must facilitate quick
Research of Innovation Diffusion on Industrial Networks
Directory of Open Access Journals (Sweden)
Yongtai Chen
2014-01-01
Full Text Available The real value of innovation consists in its diffusion on industrial network. The factors which affect the diffusion of innovation on industrial network are the topology of industrial network and rules of diffusion. Industrial network is a complex network which has scale-free and small-world characters; its structure has some affection on threshold, length of path, enterprise’s status, and information share of innovation diffusion. Based on the cost and attitude to risk of technical innovation, we present the “avalanche” diffusing model of technical innovation on industrial network.
Fractional Diffusion Limit for Collisional Kinetic Equations
Mellet, Antoine
2010-08-20
This paper is devoted to diffusion limits of linear Boltzmann equations. When the equilibrium distribution function is a Maxwellian distribution, it is well known that for an appropriate time scale, the small mean free path limit gives rise to a diffusion equation. In this paper, we consider situations in which the equilibrium distribution function is a heavy-tailed distribution with infinite variance. We then show that for an appropriate time scale, the small mean free path limit gives rise to a fractional diffusion equation. © 2010 Springer-Verlag.
Anomalous diffusion of fermions in superlattices
International Nuclear Information System (INIS)
Drozdz, S.; Okolowicz, J.; Srokowski, T.; Ploszajczak, M.
1996-03-01
Diffusion of fermions in the periodic two-dimensional lattice of fermions is studied. It is shown that effects connected with antisymmetrization of the wave function increase chaoticness of motion. Various types of anomalous diffusion, characterized by a power spectral analysis are found. The nonlocality of the Pauli potential destroys cantori in the phase space. Consequently, the diffusion process is dominated by long free paths and the power spectrum is logarithmic at small frequency limit. (author)
Statistical Inference for Fractional Diffusion Processes
Rao, B L S Prakasa
2010-01-01
Statistical Inference for Fractional Diffusion Processes looks at statistical inference for stochastic processes modeled by stochastic differential equations driven by fractional Brownian motion. Other related processes, such as sequential inference, nonparametric and non parametric inference and parametric estimation are also discussed. The book will deal with Fractional Diffusion Processes (FDP) in relation to statistical influence for stochastic processes. The books main focus is on parametric and non parametric inference problems for fractional diffusion processes when a complete path of t
Wu Zhuo Qun; Li Hui Lai; Zhao Jun Ning
2001-01-01
Nonlinear diffusion equations, an important class of parabolic equations, come from a variety of diffusion phenomena which appear widely in nature. They are suggested as mathematical models of physical problems in many fields, such as filtration, phase transition, biochemistry and dynamics of biological groups. In many cases, the equations possess degeneracy or singularity. The appearance of degeneracy or singularity makes the study more involved and challenging. Many new ideas and methods have been developed to overcome the special difficulties caused by the degeneracy and singularity, which
International Nuclear Information System (INIS)
Willaime, F.
1991-09-01
We have developed an N-body interatomic potential, based on the second moment approximation of the tight-binding scheme, by fitting its four adjustable parameters to the cohesive energy, atomic volume, and elastic constants of hcp-Zr. We then showed that various properties of this potential compare favorably with those of zirconium in both the low temperatures hcp phase and the high temperature bcc phase. Such is the case in particular for the elastic constants, the phonon dispersion curves, the thermal expansion, and the melting temperature. We reproduced by molecular dynamics (MD) simulations on this potential the hcp/bcc phase transformation in both ways. It indeed occurs following the mechanism predicted by Burgers. We find a vibrational entropy of transformation equal to 0.13 k B . Our calculations suggest that in real zirconium the electronic contribution to the transformation entropy is important. We show that some interatomic potential lead to a higher value of the vibrational entropy in the hcp phase than in the bcc phase. We specified the dynamics of the vacancy migration in the bcc phase. The atomic jumps are almost exclusively nearest neighbour ones. The walk of the vacancy becomes strongly correlated at high temperatures. The vacancy jump frequency is very large and has a perfectly arrhenian behaviour. There is no evicence of a dynamical lowering of the vacancy migration barrier: the static and dynamic values of the vacancy migration energy are almost equal, both being unusually small (0.3 eV). The self diffusion coefficent of our model for the vacancy mechanism reproduces an anomalous fast diffusion close to that measured experimentally in bcc-Zr. In our model at high temperatures the time interval between successive jumps is almost equal to the time of flight. The migration events will therefore influence the formation of the vacancies [fr
Qian, Weixian; Zhou, Xiaojun; Lu, Yingcheng; Xu, Jiang
2015-09-15
Both the Jones and Mueller matrices encounter difficulties when physically modeling mixed materials or rough surfaces due to the complexity of light-matter interactions. To address these issues, we derived a matrix called the paths correlation matrix (PCM), which is a probabilistic mixture of Jones matrices of every light propagation path. Because PCM is related to actual light propagation paths, it is well suited for physical modeling. Experiments were performed, and the reflection PCM of a mixture of polypropylene and graphite was measured. The PCM of the mixed sample was accurately decomposed into pure polypropylene's single reflection, pure graphite's single reflection, and depolarization caused by multiple reflections, which is consistent with the theoretical derivation. Reflection parameters of rough surface can be calculated from PCM decomposition, and the results fit well with the theoretical calculations provided by the Fresnel equations. These theoretical and experimental analyses verify that PCM is an efficient way to physically model light-matter interactions.
Abrams, Gene; Siles Molina, Mercedes
2017-01-01
This book offers a comprehensive introduction by three of the leading experts in the field, collecting fundamental results and open problems in a single volume. Since Leavitt path algebras were first defined in 2005, interest in these algebras has grown substantially, with ring theorists as well as researchers working in graph C*-algebras, group theory and symbolic dynamics attracted to the topic. Providing a historical perspective on the subject, the authors review existing arguments, establish new results, and outline the major themes and ring-theoretic concepts, such as the ideal structure, Z-grading and the close link between Leavitt path algebras and graph C*-algebras. The book also presents key lines of current research, including the Algebraic Kirchberg Phillips Question, various additional classification questions, and connections to noncommutative algebraic geometry. Leavitt Path Algebras will appeal to graduate students and researchers working in the field and related areas, such as C*-algebras and...
Transitioning DARPA Technology
2001-05-01
canonical paths were used. 15 As illustrated by the HiPer -D case study in Appendix B, transition plans are generally submitted as part of a DARPA’s...initiatives studied revealed two programs that followed the DS&T transition path-the SPEAKeasy Advanced Tactical Radio System and HiPer - D (High Performance...introducing new technology into the legacy systems. For example, in the HiPer -D case, it was determined that open architecture would reduce costs over the
Pedestrian paths: why path-dependence theory leaves health policy analysis lost in space.
Brown, Lawrence D
2010-08-01
Path dependence, a model first advanced to explain puzzles in the diffusion of technology, has lately won allegiance among analysts of the politics of public policy, including health care policy. Though the central premise of the model--that past events and decisions shape options for innovation in the present and future--is indisputable (indeed path dependence is, so to speak, too shallow to be false), the approach, at least as applied to health policy, suffers from ambiguities that undercut its claims to illuminate policy projects such as managed care, on which this article focuses. Because path dependence adds little more than marginal value to familiar images of the politics of policy--incrementalism, for one--analysts might do well to put it on the back burner and pursue instead "thick descriptions" that help them to distinguish different degrees of openness to exogenous change among diverse policy arenas.
DEFF Research Database (Denmark)
Schürmann, Carsten; Sarnat, Jeffrey
2009-01-01
an induction principle that combines the comfort of structural induction with the expressive strength of transfinite induction. Using lexicographic path induction, we give a consistency proof of Martin-Löf’s intuitionistic theory of inductive definitions. The consistency of Heyting arithmetic follows directly...
Directory of Open Access Journals (Sweden)
Peter Juhasz
2017-03-01
Full Text Available While risk management gained popularity during the last decades even some of the basic risk types are still far out of focus. One of these is path dependency that refers to the uncertainty of how we reach a certain level of total performance over time. While decision makers are careful in accessing how their position will look like the end of certain periods, little attention is given how they will get there through the period. The uncertainty of how a process will develop across a shorter period of time is often “eliminated” by simply choosing a longer planning time interval, what makes path dependency is one of the most often overlooked business risk types. After reviewing the origin of the problem we propose and compare seven risk measures to access path. Traditional risk measures like standard deviation of sub period cash flows fail to capture this risk type. We conclude that in most cases considering the distribution of the expected cash flow effect caused by the path dependency may offer the best method, but we may need to use several measures at the same time to include all the optimisation limits of the given firm
Geometric diffusion of quantum trajectories
Yang, Fan; Liu, Ren-Bao
2015-07-01
A quantum object can acquire a geometric phase (such as Berry phases and Aharonov-Bohm phases) when evolving along a path in a parameter space with non-trivial gauge structures. Inherent to quantum evolutions of wavepackets, quantum diffusion occurs along quantum trajectories. Here we show that quantum diffusion can also be geometric as characterized by the imaginary part of a geometric phase. The geometric quantum diffusion results from interference between different instantaneous eigenstate pathways which have different geometric phases during the adiabatic evolution. As a specific example, we study the quantum trajectories of optically excited electron-hole pairs in time-reversal symmetric insulators, driven by an elliptically polarized terahertz field. The imaginary geometric phase manifests itself as elliptical polarization in the terahertz sideband generation. The geometric quantum diffusion adds a new dimension to geometric phases and may have applications in many fields of physics, e.g., transport in topological insulators and novel electro-optical effects.
Chemical order-disorder in alloys. Study by neutrons diffuse diffusion
International Nuclear Information System (INIS)
Novion, C. de; Beuneu, B.
1993-01-01
Applications of neutrons diffuse diffusion for short distance chemical order in FCC transition metals solid solutions (Pd-V, Ni-V, Ni-Cr) and understoichiometric carbides or nitrides of transition metals (TiC 1-x , NbC 1-x , TiN 1-x ) are shortly presented with theoretical and experimental aspects. (A.B.)
Path Similarity Analysis: A Method for Quantifying Macromolecular Pathways.
Directory of Open Access Journals (Sweden)
Sean L Seyler
2015-10-01
Full Text Available Diverse classes of proteins function through large-scale conformational changes and various sophisticated computational algorithms have been proposed to enhance sampling of these macromolecular transition paths. Because such paths are curves in a high-dimensional space, it has been difficult to quantitatively compare multiple paths, a necessary prerequisite to, for instance, assess the quality of different algorithms. We introduce a method named Path Similarity Analysis (PSA that enables us to quantify the similarity between two arbitrary paths and extract the atomic-scale determinants responsible for their differences. PSA utilizes the full information available in 3N-dimensional configuration space trajectories by employing the Hausdorff or Fréchet metrics (adopted from computational geometry to quantify the degree of similarity between piecewise-linear curves. It thus completely avoids relying on projections into low dimensional spaces, as used in traditional approaches. To elucidate the principles of PSA, we quantified the effect of path roughness induced by thermal fluctuations using a toy model system. Using, as an example, the closed-to-open transitions of the enzyme adenylate kinase (AdK in its substrate-free form, we compared a range of protein transition path-generating algorithms. Molecular dynamics-based dynamic importance sampling (DIMS MD and targeted MD (TMD and the purely geometric FRODA (Framework Rigidity Optimized Dynamics Algorithm were tested along with seven other methods publicly available on servers, including several based on the popular elastic network model (ENM. PSA with clustering revealed that paths produced by a given method are more similar to each other than to those from another method and, for instance, that the ENM-based methods produced relatively similar paths. PSA applied to ensembles of DIMS MD and FRODA trajectories of the conformational transition of diphtheria toxin, a particularly challenging example
Technological opportunities and paths of development
DEFF Research Database (Denmark)
Plichta, Kirsten
1993-01-01
in the industry. 6) It is argued that such paths of incremental improvement at the industry level may be an outcome of a) the dynamics that produce the technological opportunities; b) the institutions that govern decisions and expectations and c) the criteria by which the chooses between different firms...... technological development efforts. 7) The dynamic that produces opportunities for technological development will in part depend on characteristics of the product (e.g., its complexity), the interdependence between the product and production techniques, the diffusion of the product and in part...... the outcome of different firms development effort may also help shape a path at the industry level. This may be because the criteria by which the market selects between the different product may to some extent be anticipated by the developing firms or because the criteria by which the market select betwee...
Directory of Open Access Journals (Sweden)
R.T. DeHoff
2002-09-01
connection has not been made, even for binary systems. The theory has never been tested in multicomponent systems. An alternative path to understanding diffusion behavior in multicomponent systems is presented which is based upon a kinetically derived version of the flux equations. While this approach has problems of its own, it has the potential for providing a new range of insights into the process, and for devising simple models for predicting composition evolution in multicomponent systems.
Innovation diffusion in networks: the microeconomics of percolation
Zeppini, P.; Frenken, K.; Izquierdo, L.R.
2013-01-01
We implement a diffusion model for an innovative product in a market with a structure of social relationships. Diffusion is described with a percolation approach in the price space. Percolation shows a phase transition from a diffusion to a no-diffusion regime. This has strong implications for
Path-integral computation of superfluid densities
International Nuclear Information System (INIS)
Pollock, E.L.; Ceperley, D.M.
1987-01-01
The normal and superfluid densities are defined by the response of a liquid to sample boundary motion. The free-energy change due to uniform boundary motion can be calculated by path-integral methods from the distribution of the winding number of the paths around a periodic cell. This provides a conceptually and computationally simple way of calculating the superfluid density for any Bose system. The linear-response formulation relates the superfluid density to the momentum-density correlation function, which has a short-ranged part related to the normal density and, in the case of a superfluid, a long-ranged part whose strength is proportional to the superfluid density. These facts are discussed in the context of path-integral computations and demonstrated for liquid 4 He along the saturated vapor-pressure curve. Below the experimental superfluid transition temperature the computed superfluid fractions agree with the experimental values to within the statistical uncertainties of a few percent in the computations. The computed transition is broadened by finite-sample-size effects
Diffusion of childbearing within cohabitation.
Vitali, Agnese; Aassve, Arnstein; Lappegård, Trude
2015-04-01
The article analyzes the diffusion of childbearing within cohabitation in Norway, using municipality data over a 24-year period (1988-2011). Research has found substantial spatial heterogeneity in this phenomenon but also substantial spatial correlation, and the prevalence of childbearing within cohabitation has increased significantly over time. We consider several theoretical perspectives and implement a spatial panel model that allows accounting for autocorrelation not only on the dependent variable but also on key explanatory variables, and hence identifies the key determinants of diffusion of childbearing within cohabitation across space and over time. We find only partial support for the second demographic transition as a theory able to explain the diffusion of childbearing within cohabitation. Our results show that at least in the first phase of the diffusion (1988-1997), economic difficulties as measured by increased unemployment among men contributed to the diffusion of childbearing within cohabitation. However, the most important driver for childbearing within cohabitation is expansion in education for women.
Shortest Paths and Vehicle Routing
DEFF Research Database (Denmark)
Petersen, Bjørn
This thesis presents how to parallelize a shortest path labeling algorithm. It is shown how to handle Chvátal-Gomory rank-1 cuts in a column generation context. A Branch-and-Cut algorithm is given for the Elementary Shortest Paths Problem with Capacity Constraint. A reformulation of the Vehicle R...... Routing Problem based on partial paths is presented. Finally, a practical application of finding shortest paths in the telecommunication industry is shown....
Path planning in dynamic environments
Berg, J.P. van den
2007-01-01
Path planning plays an important role in various fields of application, such as CAD design, computer games and virtual environments, molecular biology, and robotics. In its most general form, the path planning problem is formulated as finding a collision-free path for a moving entity between a start
Integrating path dependency and path creation in a general understanding of path constitution
Meyer, Uli; Schubert, Cornelius
2007-01-01
Path dependency as it is described by Arthur and David portrays technological developments as historically embedded, emergent processes. In contrast, Garud and Karnøe's notion of path creation emphasises the role of strategic change and deliberate action for the development of new technologies. In this article, we integrate both concepts into a general understanding of path processes which accounts for emergent as well as deliberate modes of path constitution. In addition, we distinguish betw...
Two Generations of Path Dependence
DEFF Research Database (Denmark)
Madsen, Mogens Ove
Even if there is no fully articulated and generally accepted theory of Path Dependence it has eagerly been taken up across a wide range of social sciences - primarily coming from economics. Path Dependence is most of all a metaphor that offers reason to believe, that some political, social...... or economic processes have multiple possible paths of outcomes, rather than a unique path of equilibria. The selection among outcomes may depend on contingent choices or events - outcomes of path-dependent processes require a very relevant study - a perception of history....
Mehhtz, Peter
2005-01-01
JPF is an explicit state software model checker for Java bytecode. Today, JPF is a swiss army knife for all sort of runtime based verification purposes. This basically means JPF is a Java virtual machine that executes your program not just once (like a normal VM), but theoretically in all possible ways, checking for property violations like deadlocks or unhandled exceptions along all potential execution paths. If it finds an error, JPF reports the whole execution that leads to it. Unlike a normal debugger, JPF keeps track of every step how it got to the defect.
Directory of Open Access Journals (Sweden)
David Middleton
2005-01-01
Full Text Available The hillside’s tidal waves of yellow-green Break downward into full-grown stalks of wheat In which a peasant, shouldering his hoe Passes along a snaking narrow path -- A teeming place through which his hard thighs press And where his head just barely stays above The swaying grain, drunken in abundance, Farm buildings almost floating on the swells Beyond which sea gulls gliding white in air Fly down on out of sight to salty fields, Taking the channel fish off Normandy, A surfeit fit for Eden i...
Wolfowitz,Paul
2006-01-01
Paul Wolfowitz, President of the World Bank, discussed Singapore's remarkable progress along the road from poverty to prosperity which has also been discovered by many other countries in East Asia and around the world. He spoke of how each country must find its own path for people to pursue the same dreams of the chance to go to school, the security of a good job, and the ability to provide a better future for their children. Throughout the world, and importantly in the developing world, ther...
Directory of Open Access Journals (Sweden)
Jamie Waters
2014-09-01
Full Text Available This project uses Newton’s Second Law of Motion, Euler’s method, basic physics, and basic calculus to model the flight path of a rocket. From this, one can find the height and velocity at any point from launch to the maximum altitude, or apogee. This can then be compared to the actual values to see if the method of estimation is a plausible. The rocket used for this project is modeled after Bullistic-1 which was launched by the Society of Aeronautics and Rocketry at the University of South Florida.
Energy Technology Data Exchange (ETDEWEB)
Kostorz, G. [Eidgenoessische Technische Hochschule, Angewandte Physik, Zurich (Switzerland)
1996-12-31
While Bragg scattering is characteristic for the average structure of crystals, static local deviations from the average lattice lead to diffuse elastic scattering around and between Bragg peaks. This scattering thus contains information on the occupation of lattice sites by different atomic species and on static local displacements, even in a macroscopically homogeneous crystalline sample. The various diffuse scattering effects, including those around the incident beam (small-angle scattering), are introduced and illustrated by typical results obtained for some Ni alloys. (author) 7 figs., 41 refs.
Diffusion in thorium carbide: A first-principles study
Energy Technology Data Exchange (ETDEWEB)
Pérez Daroca, D., E-mail: pdaroca@tandar.cnea.gov.ar [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, 1650, San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas, 1025, Buenos Aires (Argentina); Llois, A.M. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, 1650, San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas, 1025, Buenos Aires (Argentina); Mosca, H.O. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, 1650, San Martín, Buenos Aires (Argentina); Instituto de Tecnología Jorge A. Sabato, UNSAM–CNEA, Av. General Paz 1499, 1650, San Martín, Buenos Aires (Argentina)
2015-12-15
The prediction of the behavior of Th compounds under irradiation is an important issue for the upcoming Generation-IV nuclear reactors. The study of self-diffusion and hetero-diffusion is a central key to fulfill this goal. As a first approach, we obtained, by means of first-principles methods, migration and activation energies of Th and C atoms self-diffusion and diffusion of He atoms in ThC. We also calculate diffusion coefficients as a function of temperature. - Highlights: • Diffusion in thorium carbide by means of first-principles calculations is studied. • The most favorable migration event is a C atom moving through a C-vacancy aided path. • Calculated C atoms diffusion coefficients agree very well with the experimental data. • For He, the energetically most favorable migration path is through Th-vacancies.
International Nuclear Information System (INIS)
Connolly, T.J.; Hansen, U.; Jaek, W.; Beckurts, K.H.
1979-01-01
In examing the world nuclear energy paths, the following assumptions were adopted: the world economy will grow somewhat more slowly than in the past, leading to reductions in electricity demand growth rates; national and international political impediments to the deployment of nuclear power will gradually disappear over the next few years; further development of nuclear power will proceed steadily, without serious interruption but with realistic lead times for the introduction of advanced technologies. Given these assumptions, this paper attempts a study of possible world nuclear energy developments, disaggregated on a regional and national basis. The scenario technique was used and a few alternative fuel-cycle scenarios were developed. Each is an internally consistent model of technically and economically feasible paths to the further development of nuclear power in an aggregate of individual countries and regions of the world. The main purpose of this modeling exercise was to gain some insight into the probable international locations of reactors and other nuclear facilities, the future requirements for uranium and for fuel-cycle services, and the problems of spent-fuel storage and waste management. The study also presents an assessment of the role that nuclear power might actually play in meeting future world energy demand
Haba, Z
2009-02-01
We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.
Quantum circuit dynamics via path integrals: Is there a classical action for discrete-time paths?
Penney, Mark D.; Enshan Koh, Dax; Spekkens, Robert W.
2017-07-01
It is straightforward to compute the transition amplitudes of a quantum circuit using the sum-over-paths methodology when the gates in the circuit are balanced, where a balanced gate is one for which all non-zero transition amplitudes are of equal magnitude. Here we consider the question of whether, for such circuits, the relative phases of different discrete-time paths through the configuration space can be defined in terms of a classical action, as they are for continuous-time paths. We show how to do so for certain kinds of quantum circuits, namely, Clifford circuits where the elementary systems are continuous-variable systems or discrete systems of odd-prime dimension. These types of circuit are distinguished by having phase-space representations that serve to define their classical counterparts. For discrete systems, the phase-space coordinates are also discrete variables. We show that for each gate in the generating set, one can associate a symplectomorphism on the phase-space and to each of these one can associate a generating function, defined on two copies of the configuration space. For discrete systems, the latter association is achieved using tools from algebraic geometry. Finally, we show that if the action functional for a discrete-time path through a sequence of gates is defined using the sum of the corresponding generating functions, then it yields the correct relative phases for the path-sum expression. These results are likely to be relevant for quantizing physical theories where time is fundamentally discrete, characterizing the classical limit of discrete-time quantum dynamics, and proving complexity results for quantum circuits.
Directory of Open Access Journals (Sweden)
Li Jian
2016-01-01
Full Text Available The world has entered the information age, all kinds of information technologies such as cloud technology, big data technology are in rapid development, and the “Internet plus” appeared. The main purpose of “Internet plus” is to provide an opportunity for the further development of the enterprise, the enterprise technology, business and other aspects of factors combine. For enterprises, grasp the “Internet plus” the impact of the market economy will undoubtedly pave the way for the future development of enterprises. This paper will be on the innovation path of the enterprise management “Internet plus” era tied you study, hope to be able to put forward some opinions and suggestions.
Vertical diffuse attenuation coefficient (Kd) based optical ...
Indian Academy of Sciences (India)
R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22
The optical classification of the different water types provides vital input for studies related to primary productivity, water clarity and determination of euphotic depth. Image data of the IRS-. P3 MOS-B, for Path 90 of 27th February, 1998 was used for deriving vertical diffuse attenuation coefficient (Kd) and an optical ...
Vertical diffuse attenuation coefficient (Kd) based optical ...
Indian Academy of Sciences (India)
The optical classification of the different water types provides vital input for studies related to primary productivity, water clarity and determination of euphotic depth. Image data of the IRS- P3 MOS-B, for Path 90 of 27th February, 1998 was used for deriving vertical diffuse attenuation Coeffcient () and an optical ...
International Nuclear Information System (INIS)
Mignemi, S.; Štrajn, R.
2016-01-01
The definition of path integrals in one- and two-dimensional Snyder space is discussed in detail both in the traditional setting and in the first-order formalism of Faddeev and Jackiw. - Highlights: • The definition of the path integral in Snyder space is discussed using phase space methods. • The same result is obtained in the first-order formalism of Faddeev and Jackiw. • The path integral formulation of the two-dimensional Snyder harmonic oscillator is outlined.
Interactive cutting path analysis programs
Weiner, J. M.; Williams, D. S.; Colley, S. R.
1975-01-01
The operation of numerically controlled machine tools is interactively simulated. Four programs were developed to graphically display the cutting paths for a Monarch lathe, Cintimatic mill, Strippit sheet metal punch, and the wiring path for a Standard wire wrap machine. These programs are run on a IMLAC PDS-ID graphic display system under the DOS-3 disk operating system. The cutting path analysis programs accept input via both paper tape and disk file.
Energy Technology Data Exchange (ETDEWEB)
Mignemi, S., E-mail: smignemi@unica.it [Dipartimento di Matematica e Informatica, Università di Cagliari, Viale Merello 92, 09123 Cagliari (Italy); INFN, Sezione di Cagliari, Cittadella Universitaria, 09042 Monserrato (Italy); Štrajn, R. [Dipartimento di Matematica e Informatica, Università di Cagliari, Viale Merello 92, 09123 Cagliari (Italy); INFN, Sezione di Cagliari, Cittadella Universitaria, 09042 Monserrato (Italy)
2016-04-29
The definition of path integrals in one- and two-dimensional Snyder space is discussed in detail both in the traditional setting and in the first-order formalism of Faddeev and Jackiw. - Highlights: • The definition of the path integral in Snyder space is discussed using phase space methods. • The same result is obtained in the first-order formalism of Faddeev and Jackiw. • The path integral formulation of the two-dimensional Snyder harmonic oscillator is outlined.
A tracer diffusion model derived from microstructure
International Nuclear Information System (INIS)
Lehikoinen, Jarmo; Muurinen, Arto; Olin, Markus
2012-01-01
Document available in extended abstract form only. Full text of publication follows: Numerous attempts have been made to explain the tracer diffusion of various solutes in compacted clays. These attempts have commonly suffered from an inability to describe the diffusion of uncharged and charged solutes with a single unified model. Here, an internally consistent approach to describing the diffusion of solutes in a heterogeneous porous medium, such as compacted bentonite, in terms of its microstructure is presented. The microstructure is taken to be represented by a succession of unit cells, which consist of two consecutive regions (Do, 1996). In the first region, the diffusion is viewed to occur in two parallel paths: one through microcrystalline units (micropores) and the other through meso-pores between the microcrystalline units. Solutes exiting these two paths are then joined together to continue diffusing through the second, disordered, region, connecting the two adjacent microcrystalline units. Adsorption (incl. co-ion exclusion) is thought to occur in the micropores, whereas meso-pores and the disordered region accommodate free species alone. Co-ions are also assumed to experience transfer resistance into and out of the micropores, which is characterized in the model by a transmission coefficient. Although the model is not new per se, its application to compacted clays has never been attempted before. It is shown that in the limit of strong adsorption, the effective diffusivity is limited from above only by the microstructural parameters of the model porous medium. As intuitive and logical as this result may appear, it has not been proven before. In the limit of vanishing disordered region, the effective diffusivity is no longer explicitly constrained by any of the model parameters. The tortuosity of the diffusion path, i.e. the quotient of the actual diffusion path length in the porous-medium coordinates and the characteristic length of the laboratory frame
International Nuclear Information System (INIS)
Anderson, R.C.
1976-01-01
A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions
Pu, Maoping; Heshmat, Mojgan; Privalov, Timofei
2017-07-01
Using Born-Oppenheimer molecular dynamics (BOMD) with density functional theory, transition-state (TS) calculations, and the quantitative energy decomposition analysis (EDA), we examined the mechanism of H2-liberation from LB—H(+) + (-)H—LA ion-pair, 1, in which the Lewis base (LB) is (o-C6H4Me)3P and the Lewis acid (LA) is B(p-C6F4H)3. BOMD simulations indicate that the path of H2 liberation from the ion-pair 1 goes via the short-lived transient species, LB⋯H2⋯LA, which are structurally reminiscent of the TS-structure in the minimum-energy-path describing the reversible reaction between H2 and (o-C6H4Me)3P/B(p-C6F4H)3 frustrated Lewis pair (FLP). With electronic structure calculations performed on graphics processing units, our BOMD data-set covers more than 1 ns of evolution of the ion-pair 1 at temperature T ≈ 400 K. BOMD simulations produced H2-recombination events with various durations of H2 remaining fully recombined as a molecule within a LB/LA attractive "pocket"—from very short vibrational-time scale to time scales in the range of a few hundred femtoseconds. With the help of perturbational approach to trajectory-propagation over a saddle-area, we directly examined dynamics of H2-liberation. Using EDA, we elucidated interactions between the cationic and anionic fragments in the ion-pair 1 and between the molecular fragments in the TS-structure. We have also considered a model that qualitatively takes into account the potential energy characteristics of H—H recombination and H2-release plus inertia of molecular motion of the (o-C6H4Me)3P/B(p-C6F4H)3 FLP.
International Nuclear Information System (INIS)
Lalis, A.; Rouviere, R.; Simon, G.
1976-01-01
A multipassage diffuser having 2p passages comprises a leak-tight cylindrical enclosure closed by a top cover and a bottom end-wall, parallel porous tubes which are rigidly assembled in sectors between tube plates and through which the gas mixture flows, the tube sectors being disposed at uniform intervals on the periphery of the enclosure. The top tube plates are rigidly fixed to an annular header having the shape of a half-torus and adapted to communicate with the tubes of the corresponding sector. Each passage is constituted by a plurality of juxtaposed sectors in which the mixture circulates in the same direction, the header being divided into p portions limited by radial partition-walls and each constituting two adjacent passages. The diffuser is provided beneath the bottom end-wall with p-1 leak-tight chambers each adapted to open into two different portions of the header, and with two collector-chambers each fitted with a nozzle for introducing the gas mixture and discharging the fraction of the undiffused mixture. By means of a central orifice formed in the bottom end-wall the enclosure communicates with a shaft for discharging the diffused fraction of the gas mixture
Nonlinear variational models for reaction and diffusion systems
International Nuclear Information System (INIS)
Tanyi, G.E.
1983-08-01
There exists a natural metric w.r.t. which the density dependent diffusion operator is harmonic in the sense of Eells and Sampson. A physical corollary of this statement is the property that any two regular points on the orbit of a reaction or diffusion operator can be connected by a path along which the reaction rate is constant. (author)
A path-integral approach to the problem of time
Amaral, M. M.; Bojowald, Martin
2018-01-01
Quantum transition amplitudes are formulated for model systems with local internal time, using intuition from path integrals. The amplitudes are shown to be more regular near a turning point of internal time than could be expected based on existing canonical treatments. In particular, a successful transition through a turning point is provided in the model systems, together with a new definition of such a transition in general terms. Some of the results rely on a fruitful relation between the problem of time and general Gribov problems.
Directory of Open Access Journals (Sweden)
Hiromi Yamamoto
2005-12-01
Full Text Available The uses of fossil fuels cause not only the resources exhaustion but also the environmental problems such as global warming. The purposes of this study are to evaluate paths toward sustainable energy systems and roles of each renewable. In order to realize the purposes, the authors developed the global land use and energy model that figured the global energy supply systems in the future considering the cost minimization. Using the model, the authors conducted a simulation in C30R scenario, which is a kind of strict CO2 emission limit scenarios and reduced CO2 emissions by 30% compared with Kyoto protocol forever scenario, and obtained the following results. In C30R scenario bioenergy will supply 33% of all the primary energy consumption. However, wind and photovoltaic will supply 1.8% and 1.4% of all the primary energy consumption, respectively, because of the limits of power grid stability. The results imply that the strict limits of CO2 emissions are not sufficient to achieve the complete renewable energy systems. In order to use wind and photovoltaic as major energy resources, we need not only to reduce the plant costs but also to develop unconventional renewable technologies.
International Nuclear Information System (INIS)
Nafidi, A.; Gutiérrez, R.; Gutiérrez-Sánchez, R.; Ramos-Ábalos, E.; El Hachimi, S.
2016-01-01
The aim of this study is to model electric power consumption during a period of economic crisis, characterised by declining gross domestic product. A novel aspect of this study is its use of a Gamma-type diffusion process for short and medium-term forecasting – other techniques that have been used to describe such consumption patterns are not valid in this situation. In this study, we consider a new extension of the stochastic Gamma diffusion process by introducing time functions (exogenous factors) that affect its trend. This extension is defined in terms of Kolmogorov backward and forward equations. After obtaining the transition probability density function and the moments (specifically, the trend function), the inference on the process parameters is obtained by discrete sampling of the sample paths. Finally, this stochastic process is applied to model total net electricity consumption in Spain, when affected by the following set of exogenous factors: Gross Domestic Product (GDP), Gross Fixed Capital Formation (GFCF) and Final Domestic Consumption (FDC). - Highlights: • The aim is modelling and predicting electricity consumption in Spain. • We propose a Gamma-type diffusion process for short and medium-term forecasting. • We compared the fit using diffusion processes with different exogenous factors.
Indian Academy of Sciences (India)
at% of La, x = 3, 5, 6, 10 and 12] have been measured in the frequency range 1 Hz–1 MHz using the vector impedance ... The ferroelectric phase transition is diffuse in nature and broadening of the peak increases with La content. Keywords. PLZT ..... formation from rhombohedral–tetragonal–cubic phase with increase in ...
Path integrals as discrete sums
Bitar, Khalil; Khuri, N. N.; Ren, H. C.
1991-08-01
We present a new formulation of Feynman's path integral, based on Voronin's theorems on the universality of the Riemann zeta function. The result is a discrete sum over ``paths,'' each given by a zeta function. A new measure which leads to the correct quantum mechanics is explicitly given.
On Minc's sheltered middle path
Repovš, Dušan; Rosicki, Witold; Virk, Žiga; Zastrow, Andreas
2012-01-01
This paper shows that a construction, which was introduced by Piotr Minc in connection with a problem that came from Helly type theorems and that allows to replace three PL-arcs with a "sheltered middle path", can in the case of general (non-PL) paths result in the topologist's sine curve.
International Nuclear Information System (INIS)
Exner, P.; Kolerov, G.I.
1980-01-01
A Hilbert space of paths, the elements of which are determined by trigonometric series, was proposed and used recently by Truman. This space is shown to consist precisely of all absolutely continuous paths ending in the origin with square-integrable derivatives
Graphene-based battery electrodes having continuous flow paths
Zhang, Jiguang; Xiao, Jie; Liu, Jun; Xu, Wu; Li, Xiaolin; Wang, Deyu
2014-05-24
Some batteries can exhibit greatly improved performance by utilizing electrodes having randomly arranged graphene nanosheets forming a network of channels defining continuous flow paths through the electrode. The network of channels can provide a diffusion pathway for the liquid electrolyte and/or for reactant gases. Metal-air batteries can benefit from such electrodes. In particular Li-air batteries show extremely high capacities, wherein the network of channels allow oxygen to diffuse through the electrode and mesopores in the electrode can store discharge products.
Mechanisms of self-diffusion on Pt(110)
DEFF Research Database (Denmark)
Lorensen, Henrik Qvist; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel
1999-01-01
The self-diffusion of Pt on the missing row reconstructed Pt(110) surface is discussed based on density functional calculations of activation energy barriers. Different competing diffusion mechanisms are considered and we show that several different diffusion paths along the reconstruction troughs...... are of relevance. The analysis leads to another interpretation of the recently observed double jumps at the Pt(110) surface. [S0163-1829(99)51732-3]....
Probabilistic Connections for Bidirectional Path Tracing
Popov, Stefan; Ramamoorthi, Ravi; Durand, Fredo; Drettakis, George
2015-01-01
International audience; Bidirectional Path Tracing Probabilistic Connections for Bidirectional Path Tracing Figure 1: Our Probabilistic Connections for Bidirectional Path Tracing approach importance samples connections to an eye sub-path, and greatly reduces variance, by considering and reusing multiple light sub-paths at once. Our approach (right) achieves much higher quality than bidirectional path-tracing on the left for the same computation time (~8.4 min).. Abstract Bidirectional path tr...
Hard paths, soft paths or no paths? Cross-cultural perceptions of water solutions
Wutich, A.; White, A. C.; White, D. D.; Larson, K. L.; Brewis, A.; Roberts, C.
2014-01-01
In this study, we examine how development status and water scarcity shape people's perceptions of "hard path" and "soft path" water solutions. Based on ethnographic research conducted in four semi-rural/peri-urban sites (in Bolivia, Fiji, New Zealand, and the US), we use content analysis to conduct statistical and thematic comparisons of interview data. Our results indicate clear differences associated with development status and, to a lesser extent, water scarcity. People in the two less developed sites were more likely to suggest hard path solutions, less likely to suggest soft path solutions, and more likely to see no path to solutions than people in the more developed sites. Thematically, people in the two less developed sites envisioned solutions that involve small-scale water infrastructure and decentralized, community-based solutions, while people in the more developed sites envisioned solutions that involve large-scale infrastructure and centralized, regulatory water solutions. People in the two water-scarce sites were less likely to suggest soft path solutions and more likely to see no path to solutions (but no more likely to suggest hard path solutions) than people in the water-rich sites. Thematically, people in the two water-rich sites seemed to perceive a wider array of unrealized potential soft path solutions than those in the water-scarce sites. On balance, our findings are encouraging in that they indicate that people are receptive to soft path solutions in a range of sites, even those with limited financial or water resources. Our research points to the need for more studies that investigate the social feasibility of soft path water solutions, particularly in sites with significant financial and natural resource constraints.
Langevin diffusions on the torus
DEFF Research Database (Denmark)
García-Portugués, Eduardo; Sørensen, Michael; Mardia, Kanti V.
2018-01-01
We introduce stochastic models for continuous-time evolution of angles and develop their estimation. We focus on studying Langevin diffusions with stationary distributions equal to well-known distributions from directional statistics, since such diffusions can be regarded as toroidal analogues......) a likelihood based on the stationary distribution; (ii) toroidal adaptations of the Euler and Shoji–Ozaki pseudo-likelihoods; (iii) a likelihood based on a specific approximation to the transition density of the wrapped normal process. A simulation study compares, in dimensions one and two, the approximate...
Global bifurcation criterion for oscillatory crack path instability.
Pham, Van-Bac; Bahr, Hans-Achim; Bahr, Ute; Balke, Herbert; Weiss, Hans-Jürgen
2008-06-01
A bifurcation criterion for the transition from straight to oscillatory quasistatic crack propagation in an isotropic material is derived from the requirement of pure mode I stress fields at the crack tip (K_{II}=0) on the entire crack path, henceforth called global bifurcation criterion. For a small-amplitude sine-shaped crack path which is observed in experiments at the transition, it is shown to be sufficient to postulate K_{II}=0 only for two phases of the crack path instead, which simplifies calculations. By using the measured temperature fields to solve the thermoelastic problem of dipping a hot thin glass slab into cold water, critical wavelengths of the oscillating crack growth obtained with the derived global bifurcation criterion agree remarkably well with those observed in experiments by Ronsin and Perrin. It is also shown that local bifurcation criteria, which do not take into account K_{II}=0 on the entire crack path, lead to incorrect results for the oscillatory crack path instability.
Diffusion mechanisms in grain boundaries in solids
International Nuclear Information System (INIS)
Peterson, N.L.
1982-01-01
A critical review is given of our current knowledge of grain-boundary diffusion in solids. A pipe mechanism of diffusion based on the well-established dislocation model seems most appropriate for small-angle boundaries. Open channels, which have atomic configurations somewhat like dislocation cores, probably play a major role in large-angle grain-boundary diffusion. Dissociated dislocations and stacking faults are not efficient paths for grain-boundary diffusion. The diffusion and computer modeling experiments are consistent with a vacancy mechanism of diffusion by a rather well-localized vacancy. The effective width of a boundary for grain-boundary diffusion is about two atomic planes. These general features of grain-boundary diffusion, deduced primarily from experiments on metals, are thought to be equally applicable for pure ceramic solids. The ionic character of many ceramic oxides may cause some differences in grain-boundary structure from that observed in metals, resulting in changes in grain-boundary diffusion behavior. 72 references, 5 figures
Pon, Allison; Jewison, Timothy; Su, Yilu; Liang, Yongjie; Knox, Craig; Maciejewski, Adam; Wilson, Michael; Wishart, David S
2015-07-01
PathWhiz (http://smpdb.ca/pathwhiz) is a web server designed to create colourful, visually pleasing and biologically accurate pathway diagrams that are both machine-readable and interactive. As a web server, PathWhiz is accessible from almost any place and compatible with essentially any operating system. It also houses a public library of pathways and pathway components that can be easily viewed and expanded upon by its users. PathWhiz allows users to readily generate biologically complex pathways by using a specially designed drawing palette to quickly render metabolites (including automated structure generation), proteins (including quaternary structures, covalent modifications and cofactors), nucleic acids, membranes, subcellular structures, cells, tissues and organs. Both small-molecule and protein/gene pathways can be constructed by combining multiple pathway processes such as reactions, interactions, binding events and transport activities. PathWhiz's pathway replication and propagation functions allow for existing pathways to be used to create new pathways or for existing pathways to be automatically propagated across species. PathWhiz pathways can be saved in BioPAX, SBGN-ML and SBML data exchange formats, as well as PNG, PWML, HTML image map or SVG images that can be viewed offline or explored using PathWhiz's interactive viewer. PathWhiz has been used to generate over 700 pathway diagrams for a number of popular databases including HMDB, DrugBank and SMPDB. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.
Diffusion coefficient in photon diffusion theory
Graaff, R; Ten Bosch, JJ
2000-01-01
The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to
Sound field in long rooms with diffusely reflecting boundaries
DEFF Research Database (Denmark)
Picaut, Judicaël; Simon, Laurent; Polack, Jean-Dominique
1999-01-01
A diffusion equation is used to predict the sound propagation in long rooms with diffusely reflecting boundaries. The model is defined by two parameters, the coefficient of diffusion depending on the mean free path, and an exchange coefficient expressing wall absorption. The diffusion equation...... is solved for time-varying sources and in stationary state. Analytical expressions of the sound attenuation and reverberation in infinite, semi-infinite and finite long rooms are quite in accordance with numerical simulations of diffuse sound field. It is also shown that the diffusion model allows...... to predict experimental observations: the decay curves are not linear, the reverberation time increases with the source-receiver distance, and sound attenuation is linear along corridors. The dependence of the coefficient of diffusion with the degree of wall diffusion is also discussed....
Diffusion through statically compacted clay
International Nuclear Information System (INIS)
Ho, C.L.; Shebl, M.A.A.
1994-01-01
This paper presents experimental work on the effect of compaction on contaminant flow through clay liners. The experimental program included evaluation of soil properties, compaction, permeability and solute diffusion. A permeameter was built of non reactive materials to test samples compacted at different water contents and compactive efforts. The flow of a permeating solute, LiCl, was monitored. Effluent samples were collected for solute concentration measurements. The concentrations were measured by performing atomic adsorption tests. The analyzed results showed different diffusion characteristics when compaction conditions changed. At each compactive effort, permeability decreased as molding water content increased. Consequently, transit time (measured at relative concentration 50%) increased and diffusivity decreased. As compactive effort increased for soils compacted dry of optimum, permeability and diffusion decreased. On the other hand, as compactive effort increased for soils compacted wet of optimum, permeability and diffusivity increased. Tortuosity factor was indirectly measured from the diffusion and retardation rate. Tortuosity factor also decreased as placement water content was increased from dry of optimum to wet of optimum. Then decreases were more pronounced for low compactive effort tests. 27 refs., 7 figs., 5 tabs
Rotational diffusion affects the dynamical self-assembly pathways of patchy particles
Newton, Arthur C.; Groenewold, Jan; Kegel, Willem K.; Bolhuis, Peter G.
2015-01-01
Predicting the self-assembly kinetics of particles with anisotropic interactions, such as colloidal patchy particles or proteins with multiple binding sites, is important for the design of novel high-tech materials, as well as for understanding biological systems, e.g., viruses or regulatory networks. Often stochastic in nature, such self-assembly processes are fundamentally governed by rotational and translational diffusion. Whereas the rotational diffusion constant of particles is usually considered to be coupled to the translational diffusion via the Stokes–Einstein relation, in the past decade it has become clear that they can be independently altered by molecular crowding agents or via external fields. Because virus capsids naturally assemble in crowded environments such as the cell cytoplasm but also in aqueous solution in vitro, it is important to investigate how varying the rotational diffusion with respect to transitional diffusion alters the kinetic pathways of self-assembly. Kinetic trapping in malformed or intermediate structures often impedes a direct simulation approach of a kinetic network by dramatically slowing down the relaxation to the designed ground state. However, using recently developed path-sampling techniques, we can sample and analyze the entire self-assembly kinetic network of simple patchy particle systems. For assembly of a designed cluster of patchy particles we find that changing the rotational diffusion does not change the equilibrium constants, but significantly affects the dynamical pathways, and enhances (suppresses) the overall relaxation process and the yield of the target structure, by avoiding (encountering) frustrated states. Besides insight, this finding provides a design principle for improved control of nanoparticle self-assembly. PMID:26621742
Borderland: The Smuggler's Paths
Directory of Open Access Journals (Sweden)
Candida Rosa Ramos Nunes
2016-03-01
Full Text Available The present work is intended to reveal, through literary tales of authors from Rio Grande do Sul and Uruguay, a view of the smuggler's profile, explaining joints that allow the reading public have different versions of this character that, for some, is considered a hero and, for others, bandit. To achieve such proposal, will be examined the tales "Contrabandistas" by João Simões Lopes Neto; "Contos IV" and "Nossa Senhora Aparecida" by Aldyr Garcia Schlee ; “Contrabandistas”, by Julián Murguía; “Contrabando”, de Darcy Azambuja; “Cerrazón” e “Renuncia del comisario Portela y del Cabo Lapuente”, de José Monegal, that focuses on the life of the residents of the border, space where transited the illegal trade. For the analysis of the texts, was taken as references researches by Guilhermino César, Adriana Dorfman, Léa Masina e Mariana Flores da Cunha Thompson Flores, critics of different areas that takes literature to deepen studies on smuggling at the border. This research will allow detecting the reasons that led the individuals to do smuggling, as well as the consequences of their illicit acts. This leads us to reflect on the character of these subjects. Would they be heroes or bandits?
Vapor nucleation paths in lyophobic nanopores.
Tinti, Antonio; Giacomello, Alberto; Casciola, Carlo Massimo
2018-04-19
In recent years, technologies revolving around the use of lyophobic nanopores gained considerable attention in both fundamental and applied research. Owing to the enormous internal surface area, heterogeneous lyophobic systems (HLS), constituted by a nanoporous lyophobic material and a non-wetting liquid, are promising candidates for the efficient storage or dissipation of mechanical energy. These diverse applications both rely on the forced intrusion and extrusion of the non-wetting liquid inside the pores; the behavior of HLS for storage or dissipation depends on the hysteresis between these two processes, which, in turn, are determined by the microscopic details of the system. It is easy to understand that molecular simulations provide an unmatched tool for understanding phenomena at these scales. In this contribution we use advanced atomistic simulation techniques in order to study the nucleation of vapor bubbles inside lyophobic mesopores. The use of the string method in collective variables allows us to overcome the computational challenges associated with the activated nature of the phenomenon, rendering a detailed picture of nucleation in confinement. In particular, this rare event method efficiently searches for the most probable nucleation path(s) in otherwise intractable, high-dimensional free-energy landscapes. Results reveal the existence of several independent nucleation paths associated with different free-energy barriers. In particular, there is a family of asymmetric transition paths, in which a bubble forms at one of the walls; the other family involves the formation of axisymmetric bubbles with an annulus shape. The computed free-energy profiles reveal that the asymmetric path is significantly more probable than the symmetric one, while the exact position where the asymmetric bubble forms is less relevant for the free energetics of the process. A comparison of the atomistic results with continuum models is also presented, showing how, for simple
The Geography of Solar Photovoltaics (PV and a New Low Carbon Urban Transition Theory
Directory of Open Access Journals (Sweden)
Peter Newton
2013-06-01
Full Text Available This paper examines the early phases of a 21st century energy transition that involves distributed generation technologies employing low or zero carbon emission power sources and their take-up within Australia, with particular reference to the major cities and solar photovoltaics (PV. This transition is occurring in a nation with significant path dependency to overcome in relation to fossil fuel use. Tracking the diffusion of solar PV technology within Australia over the past decade provides a basis for assessing those factors underpinning its exponential growth and its associated geography of diffusion. Positive evidence that there are pathways for cities to decarbonise is apparent but there appear to be different pathways for different city forms with lower density suburban areas showing the biggest take-up of household-based energy technologies. This suggests a model for the low carbon urban transition involving combinations of simple technological changes and harder structural changes, depending upon which parts of the urban fabric are in focus. This is being called a New Low Carbon Urban Transition Theory.
Innovation paths in wind power
DEFF Research Database (Denmark)
Lema, Rasmus; Nordensvärd, Johan; Urban, Frauke
Denmark and Germany both make substantial investments in low carbon innovation, not least in the wind power sector. These investments in wind energy are driven by the twin objectives of reducing carbon emissions and building up international competitive advantage. Support for wind power dates back...... paths: government policies, demand conditions, geography, value chains, and the strategies undertaken by firms. It demonstrates that the innovation paths common to both countries have roots in a confluence of determining factors which are mainly due to social and political priorities, preferences...... Denmark and Germany have common national causes, while company-specific strategies also influence the innovation paths in significant ways. This raises important questions about the national specificity of innovation paths in wind power development. Finally, the paper briefly addresses the increasing...
An Introduction to Path Analysis
Wolfe, Lee M.
1977-01-01
The analytical procedure of path analysis is described in terms of its use in nonexperimental settings in the social sciences. The description assumes a moderate statistical background on the part of the reader. (JKS)
Light transport on path-space manifolds
Jakob, Wenzel Alban
-stepping limitations of the theory, they often suffer from unusably slow convergence; improvements to this situation have been hampered by the lack of a thorough theoretical understanding. We address these problems by developing a new theory of path-space light transport which, for the first time, cleanly incorporates specular scattering into the standard framework. Most of the results obtained in the analysis of the ideally smooth case can also be generalized to rendering of glossy materials and volumetric scattering so that this dissertation also provides a powerful new set of tools for dealing with them. The basis of our approach is that each specular material interaction locally collapses the dimension of the space of light paths so that all relevant paths lie on a submanifold of path space. We analyze the high-dimensional differential geometry of this submanifold and use the resulting information to construct an algorithm that is able to "walk" around on it using a simple and efficient equation-solving iteration. This manifold walking algorithm then constitutes the key operation of a new type of Markov Chain Monte Carlo (MCMC) rendering method that computes lighting through very general families of paths that can involve arbitrary combinations of specular, near-specular, glossy, and diffuse surface interactions as well as isotropic or highly anisotropic volume scattering. We demonstrate our implementation on a range of challenging scenes and evaluate it against previous methods.
Paths into Professional School: A Research Note
Helfrich, Margaret L.
1975-01-01
The literature of occupations and professions implies that there may be different paths into given work activities. Four different paths into dental school are described and illustrated, and different conditions are associated with each path. (Author/BP)
Path-based Queries on Trajectory Data
DEFF Research Database (Denmark)
Krogh, Benjamin Bjerre; Pelekis, Nikos; Theodoridis, Yannis
2014-01-01
In traffic research, management, and planning a number of path-based analyses are heavily used, e.g., for computing turn-times, evaluating green waves, or studying traffic flow. These analyses require retrieving the trajectories that follow the full path being analyzed. Existing path queries cannot...... sufficiently support such path-based analyses because they retrieve all trajectories that touch any edge in the path. In this paper, we define and formalize the strict path query. This is a novel query type tailored to support path-based analysis, where trajectories must follow all edges in the path...... a specific path by only retrieving data from the first and last edge in the path. To correctly answer strict path queries existing network-constrained trajectory indexes must retrieve data from all edges in the path. An extensive performance study of NETTRA using a very large real-world trajectory data set...
Development of PATH Gaming Methodology
1988-06-30
In open games, on the other hand , the teams are allowed to interact directly (either verbally or in writing) without the control team restricting the...real world this loss is not serious. A path game can consist of as few as one team to as many as four. A color coding scheme is used as a short hand ... Strenghts ---------------------------------- 74 6.4 Weaknesses --------------------------------- 76 7 Extended Path Games ----------------------------- 78
Formal language constrained path problems
Energy Technology Data Exchange (ETDEWEB)
Barrett, C.; Jacob, R.; Marathe, M.
1997-07-08
In many path finding problems arising in practice, certain patterns of edge/vertex labels in the labeled graph being traversed are allowed/preferred, while others are disallowed. Motivated by such applications as intermodal transportation planning, the authors investigate the complexity of finding feasible paths in a labeled network, where the mode choice for each traveler is specified by a formal language. The main contributions of this paper include the following: (1) the authors show that the problem of finding a shortest path between a source and destination for a traveler whose mode choice is specified as a context free language is solvable efficiently in polynomial time, when the mode choice is specified as a regular language they provide algorithms with improved space and time bounds; (2) in contrast, they show that the problem of finding simple paths between a source and a given destination is NP-hard, even when restricted to very simple regular expressions and/or very simple graphs; (3) for the class of treewidth bounded graphs, they show that (i) the problem of finding a regular language constrained simple path between source and a destination is solvable in polynomial time and (ii) the extension to finding context free language constrained simple paths is NP-complete. Several extensions of these results are presented in the context of finding shortest paths with additional constraints. These results significantly extend the results in [MW95]. As a corollary of the results, they obtain a polynomial time algorithm for the BEST k-SIMILAR PATH problem studied in [SJB97]. The previous best algorithm was given by [SJB97] and takes exponential time in the worst case.
International Nuclear Information System (INIS)
Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping
2015-01-01
Highlights: • Fractal theory is introduced into the prediction of VOC diffusion coefficient. • MSFC model of the diffusion coefficient is developed for porous building materials. • The MSFC model contains detailed pore structure parameters. • The accuracy of the MSFC model is verified by independent experiments. - Abstract: Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber.
Energy Technology Data Exchange (ETDEWEB)
Liu, Yanfeng, E-mail: lyfxjd@163.com; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping
2015-12-15
Highlights: • Fractal theory is introduced into the prediction of VOC diffusion coefficient. • MSFC model of the diffusion coefficient is developed for porous building materials. • The MSFC model contains detailed pore structure parameters. • The accuracy of the MSFC model is verified by independent experiments. - Abstract: Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber.
Nonlocal diffusion and applications
Bucur, Claudia
2016-01-01
Working in the fractional Laplace framework, this book provides models and theorems related to nonlocal diffusion phenomena. In addition to a simple probabilistic interpretation, some applications to water waves, crystal dislocations, nonlocal phase transitions, nonlocal minimal surfaces and Schrödinger equations are given. Furthermore, an example of an s-harmonic function, its harmonic extension and some insight into a fractional version of a classical conjecture due to De Giorgi are presented. Although the aim is primarily to gather some introductory material concerning applications of the fractional Laplacian, some of the proofs and results are new. The work is entirely self-contained, and readers who wish to pursue related subjects of interest are invited to consult the rich bibliography for guidance.
Girsanov reweighting for path ensembles and Markov state models
Donati, L.; Hartmann, C.; Keller, B. G.
2017-06-01
The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules. We present a method to obtain path ensemble averages of a perturbed dynamics from a set of paths generated by a reference dynamics. It is based on the concept of path probability measure and the Girsanov theorem, a result from stochastic analysis to estimate a change of measure of a path ensemble. Since Markov state models (MSMs) of the molecular dynamics can be formulated as a combined phase-space and path ensemble average, the method can be extended to reweight MSMs by combining it with a reweighting of the Boltzmann distribution. We demonstrate how to efficiently implement the Girsanov reweighting in a molecular dynamics simulation program by calculating parts of the reweighting factor "on the fly" during the simulation, and we benchmark the method on test systems ranging from a two-dimensional diffusion process and an artificial many-body system to alanine dipeptide and valine dipeptide in implicit and explicit water. The method can be used to study the sensitivity of molecular dynamics on external perturbations as well as to reweight trajectories generated by enhanced sampling schemes to the original dynamics.
Molecular Modeling of Diffusion on a Crystalline PETN Surface
Energy Technology Data Exchange (ETDEWEB)
Lin, P; Khare, R; Gee, R H; Weeks, B L
2007-07-13
Surface diffusion on a PETN crystal was investigated by treating the surface diffusion as an activated process in the formalism of transition state theory. In particular, surface diffusion on the (110) and (101) facets, as well as diffusion between these facets, were considered. We successfully obtained the potential energy barriers required for PETN surface diffusion. Our results show that the (110) surface is more thermally active than the (101) surface and PETN molecules mainly diffuses from the (110) to (101) facet. These results are in good agreement with experimental observations and previous simulations.
Stereological characterization of crack path transitions in ceramic ...
Indian Academy of Sciences (India)
In the present work several model composites with different combinations of thermal and elastic mismatch have been considered. Cracks propagating at different sub-critical stress intensities (velocities) were generated by a novel indentation technique. Each indentation was performed at a constant displacement rate and a ...
Burma in Transition: On the Path to Democracy
2014-10-30
reports of massive abuse and blatant cheating including ballot stuffing, corruption of no-votes, and disenfranchisement of large sections of the...critics cite lack of constitutional democratic principles and election fraud in denouncing the liberalization of the governments, a decades-long...participate since 1990. Although some irregularities were reported with the election process,42 the success of the electoral process was an
Asteroidal Quadruples in non Rooted Path Graphs
Directory of Open Access Journals (Sweden)
Gutierrez Marisa
2015-11-01
Full Text Available A directed path graph is the intersection graph of a family of directed subpaths of a directed tree. A rooted path graph is the intersection graph of a family of directed subpaths of a rooted tree. Rooted path graphs are directed path graphs. Several characterizations are known for directed path graphs: one by forbidden induced subgraphs and one by forbidden asteroids. It is an open problem to find such characterizations for rooted path graphs. For this purpose, we are studying in this paper directed path graphs that are non rooted path graphs. We prove that such graphs always contain an asteroidal quadruple.
Path counting on simple graphs: from escape to localization
Nechaev, S. K.; Tamm, M. V.; Valba, O. V.
2017-05-01
We study the asymptotic behavior of the number of paths of length N on several classes of infinite graphs with a single special vertex. This vertex can work as an ‘entropic trap’ for the path, i.e. under certain conditions the dominant part of long paths becomes localized in the vicinity of the special point instead of spreading to infinity. We study the conditions for such localization on decorated star graphs, regular trees and regular hyperbolic graphs as a function of the functionality of the special vertex. In all cases the localization occurs for large enough functionality. The particular value of the transition point depends on the large-scale topology of the graph. The emergence of localization is supported by analysis of the spectra of the adjacency matrices of corresponding finite graphs.
Diffusion archeology for diffusion progression history reconstruction.
Sefer, Emre; Kingsford, Carl
2016-11-01
Diffusion through graphs can be used to model many real-world processes, such as the spread of diseases, social network memes, computer viruses, or water contaminants. Often, a real-world diffusion cannot be directly observed while it is occurring - perhaps it is not noticed until some time has passed, continuous monitoring is too costly, or privacy concerns limit data access. This leads to the need to reconstruct how the present state of the diffusion came to be from partial diffusion data. Here, we tackle the problem of reconstructing a diffusion history from one or more snapshots of the diffusion state. This ability can be invaluable to learn when certain computer nodes are infected or which people are the initial disease spreaders to control future diffusions. We formulate this problem over discrete-time SEIRS-type diffusion models in terms of maximum likelihood. We design methods that are based on submodularity and a novel prize-collecting dominating-set vertex cover (PCDSVC) relaxation that can identify likely diffusion steps with some provable performance guarantees. Our methods are the first to be able to reconstruct complete diffusion histories accurately in real and simulated situations. As a special case, they can also identify the initial spreaders better than the existing methods for that problem. Our results for both meme and contaminant diffusion show that the partial diffusion data problem can be overcome with proper modeling and methods, and that hidden temporal characteristics of diffusion can be predicted from limited data.
Shortest Paths in Multiplex Networks.
Ghariblou, Saeed; Salehi, Mostafa; Magnani, Matteo; Jalili, Mahdi
2017-05-12
The shortest path problem is one of the most fundamental networks optimization problems. Nowadays, individuals interact in extraordinarily numerous ways through their offline and online life (e.g., co-authorship, co-workership, or retweet relation in Twitter). These interactions have two key features. First, they have a heterogeneous nature, and second, they have different strengths that are weighted based on their degree of intimacy, trustworthiness, service exchange or influence among individuals. These networks are known as multiplex networks. To our knowledge, none of the previous shortest path definitions on social interactions have properly reflected these features. In this work, we introduce a new distance measure in multiplex networks based on the concept of Pareto efficiency taking both heterogeneity and weighted nature of relations into account. We then model the problem of finding the whole set of paths as a form of multiple objective decision making and propose an exact algorithm for that. The method is evaluated on five real-world datasets to test the impact of considering weights and multiplexity in the resulting shortest paths. As an application to find the most influential nodes, we redefine the concept of betweenness centrality based on the proposed shortest paths and evaluate it on a real-world dataset from two-layer trade relation among countries between years 2000 and 2015.
Magnetic diffuse scattering: a theorist's perspective
International Nuclear Information System (INIS)
Long, M.W.
1996-01-01
We attempt to show that magnetic diffuse scattering is the natural probe for frustrated antiferromagnetism. Comparison between nuclear and magnetic diffuse scattering compares the range of atomic clustering with the range of the magnetic impurity. At low temperature frustration is expected to lead to large differences which are a natural signature for the relevance of such frustration effects. We provide some elementary examples in first-row transition metals which display fairly dramatic effects. (author) 11 figs., tabs., 8 refs
Generating a Simulated Fluid Flow Over an Aircraft Surface Using Anisotropic Diffusion
Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)
2013-01-01
A fluid-flow simulation over a computer-generated aircraft surface is generated using a diffusion technique. The surface is comprised of a surface mesh of polygons. A boundary-layer fluid property is obtained for a subset of the polygons of the surface mesh. A pressure-gradient vector is determined for a selected polygon, the selected polygon belonging to the surface mesh but not one of the subset of polygons. A maximum and minimum diffusion rate is determined along directions determined using a pressure gradient vector corresponding to the selected polygon. A diffusion-path vector is defined between a point in the selected polygon and a neighboring point in a neighboring polygon. An updated fluid property is determined for the selected polygon using a variable diffusion rate, the variable diffusion rate based on the minimum diffusion rate, maximum diffusion rate, and angular difference between the diffusion-path vector and the pressure-gradient vector.
Excess Entropy and Diffusivity
Indian Academy of Sciences (India)
First page Back Continue Last page Graphics. Excess Entropy and Diffusivity. Excess entropy scaling of diffusivity (Rosenfeld,1977). Analogous relationships also exist for viscosity and thermal conductivity.
Information Diffusion in Computer Science Citation Networks
Shi, Xiaolin; Tseng, Belle; Adamic, Lada A.
2009-01-01
The paper citation network is a traditional social medium for the exchange of ideas and knowledge. In this paper we view citation networks from the perspective of information diffusion. We study the structural features of the information paths through the citation networks of publications in computer science, and analyze the impact of various citation choices on the subsequent impact of the article. We find that citing recent papers and papers within the same scholarly community garners a sli...
Master equations and the theory of stochastic path integrals
Weber, Markus F.; Frey, Erwin
2017-04-01
them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.
Master equations and the theory of stochastic path integrals.
Weber, Markus F; Frey, Erwin
2017-04-01
expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.
Meng, Luming; Sheong, Fu Kit; Zeng, Xiangze; Zhu, Lizhe; Huang, Xuhui
2017-07-01
Constructing Markov state models from large-scale molecular dynamics simulation trajectories is a promising approach to dissect the kinetic mechanisms of complex chemical and biological processes. Combined with transition path theory, Markov state models can be applied to identify all pathways connecting any conformational states of interest. However, the identified pathways can be too complex to comprehend, especially for multi-body processes where numerous parallel pathways with comparable flux probability often coexist. Here, we have developed a path lumping method to group these parallel pathways into metastable path channels for analysis. We define the similarity between two pathways as the intercrossing flux between them and then apply the spectral clustering algorithm to lump these pathways into groups. We demonstrate the power of our method by applying it to two systems: a 2D-potential consisting of four metastable energy channels and the hydrophobic collapse process of two hydrophobic molecules. In both cases, our algorithm successfully reveals the metastable path channels. We expect this path lumping algorithm to be a promising tool for revealing unprecedented insights into the kinetic mechanisms of complex multi-body processes.
Air Pollution alongside Bike-Paths in Bogota - Colombia
Directory of Open Access Journals (Sweden)
Juan Felipe Franco
2016-11-01
Full Text Available The study we present in this paper aims at characterizing the range of fine particulate matter (PM2.5 and black carbon (BC concentrations to which bike-path users in Bogotá are exposed to. Using a bike equipped with a DustTrak and a micro-aethalometer we measured PM2.5 and BC concentration levels along bike-paths corridors, during weekdays and weekends. Experiments were conducted in fours streets, representing four typical configurations of bike-paths in the city. Traffic data for workdays was also available from local mobility authority. Results indicate that bike-paths users in Bogota are exposed to air pollution levels far exceeding the threshold values established as potentially dangerous for human health. Average concentrations for PM2.5 ranged between 80 and 136 ug/m3 in workdays and between 30 and 72 ug/m3 in weekends. BC mean concentrations were between 16 and 38 µg/m3 during workdays and in the range 10 to 32 µg/m3 during weekends. A statistically significant difference exists in the levels of pollutants concentrations measured during workdays and weekends for all the considered bike paths. According to our results, both traffic volume and diffusions conditions, which are affected by many factors including street geometry, affect bike-path user’s exposure levels. Taking into account the important role that bicycling is playing as an alternative transport mode in Latin American cities, we consider these results provide useful insights to increase the appreciation of the excessive bikers´ exposure to air pollution in Bogotá. Moreover, these findings contribute with technical elements that should lead to the inclusion of air quality variable when designing and planning sustainable urban mobility infrastructures.
Rainbow paths with prescribed ends
DEFF Research Database (Denmark)
Alishahi, Meysam; Taherkhani, Ali; Thomassen, Carsten
2011-01-01
It was conjectured in [S. Akbari, F. Khaghanpoor, and S. Moazzeni. Colorful paths in vertex coloring of graphs. Preprint] that, if G is a connected graph distinct from C-7, then there is a chi(G)-coloring of G in which every vertex v is an element of V(G) is an initial vertex of a path P with chi......(G) vertices whose colors are different. In[S. Akbari, V. Liaghat, and A. Nikzad. Colorful paths in vertex coloring of graphs. Electron. J. Combin. 18(1):P17, 9pp, 2011] this was proved with left perpendicular chi(G)/2right perpendicular vertices instead of chi(G) vertices. We strengthen this to chi(G) - 1...... finite, and has finite chromatic number, then the k-coloring exists for every k >= chi(G). In fact, the k-coloring can be chosen such that every vertex is a starting vertex of an infinite path such that the color increases by 1 (mod k) along each edge. The method is based on the circular chromatic number...
DEFF Research Database (Denmark)
Gissel, Line Engbo
This presentation builds on an earlier published article, 'Contemporary Transitional Justice: Normalising a Politics of Exception'. It argues that the field of transitional justice has undergone a shift in conceptualisation and hence practice. Transitional justice is presently understood...... to be the provision of ordinary criminal justice in contexts of exceptional political transition....
Diffusive Interaction Between Ni-Cr-Al Alloys
Tkacz-Śmiech, Katarzyna; Danielewski, Marek; Bożek, Bogusław; Berent, Katarzyna; Zientara, Dariusz; Zajusz, Marek
2017-05-01
In high-temperature coatings, welded parts, and a range of other applications, components in the contact zone interdiffuse at elevated temperatures and may react to change the phase composition. The diffusion zone can be complex and can consist of sequential layers of intermediate phases, solid solutions, and in the case of multicomponent systems also of multiphase layers. In this work, the interdiffusion in Ni-Cr-Al alloys is studied experimentally and modeled numerically. The diffusion multiples were prepared by hot isostatic pressing and post-annealing at 1473 K (1200 °C). The concentration profiles were measured with wide-line EDS technique which allowed obtaining high-accuracy diffusion paths. The experimental profiles and diffusion paths were compared with numerical results simulated with application of very recent model of interdiffusion in muticomponent-multiphase systems. The calculated and experimental data show good agreement.
International Nuclear Information System (INIS)
Tiwari, G.P.; Kale, G.B.; Patil, R.V.
1999-01-01
The article presents a brief survey of process of diffusion in solids. It is emphasised that the essence of diffusion is the mass transfer through the atomic jumps. To begin with formal equations for diffusion coefficient are presented. This is followed by discussions on mechanisms of diffusion. Except for solutes which form interstitial solid solution, diffusion in majority of cases is mediated through exchange of sites between an atom and its neighbouring vacancy. Various vacancy parameters such as activation volume, correlation factor, mass effect etc are discussed and their role in establishing the mode of diffusion is delineated. The contribution of dislocations and grain boundaries in diffusion process is brought out. The experimental determination of different types of diffusion coefficients are described. Finally, the pervasive nature of diffusion process in number of commercial processes is outlined to show the importance of diffusion studies in materials science and technology. (author)
Institutional care paths: Development, implementation, and evaluation.
Leonard, Mandy C; Bauer, Seth R; Ahrens, Christine; Reddy, Anita; Katzan, Irene
2017-09-15
The Cleveland Clinic experience with care paths, including their creation and implementation, challenges overcome during development and testing, and outcomes of selected care path evaluations, is described. Care paths are tools to assist healthcare professionals in practicing evidence-based medicine. The Cleveland Clinic health system has implemented or is developing approximately 100 care paths, including care paths designed to optimize management of sepsis and septic shock and to promote timely use of i.v. tissue plasminogen activator and correct dosing of antithrombotics and statins in patients with stroke. Key steps in successful care path initiatives include (1) identifying key stakeholders, (2) achieving stakeholder consensus on a standardized approach to disease or condition management, (3) cultivating provider awareness of care paths, (4) incorporating care path tools into the electronic health record and workflow processes, and (5) securing the resources to develop, implement, and maintain care paths. Electronic health records facilitate the use of and adherence to care paths. After care path implementation, revisions are typically needed due to unexpected issues not initially identified and to optimize care path features and support resources for clinical practice. Ongoing evaluation is required to determine whether an implemented care path is producing the intended patient and quality performance outcomes. Care paths provide a standardized approach to treatment or prevention of a disease or condition, reducing unnecessary variability and expense while promoting optimal, cost-effective patient care. Copyright © 2017 by the American Society of Health-System Pharmacists, Inc. All rights reserved.
Rapid diffusion of molybdenum trace contamination in silicon
International Nuclear Information System (INIS)
Tobin, S.P.; Greenwald, A.C.; Wolfson, R.G.; Meier, D.L.; Drevinsky, P.J.
1985-01-01
Molybdenum contamination has been detected in silicon epitaxial layers and substrate wafers after processing in any one of several epitaxial silicon reactors. Greatly reduced minority carrier diffusion lengths and lifetimes are consistent with Mo concentrations measured by DLTS in the 10 12 and 10 13 cm -3 ranges. Depth profiling of diffusion length and the Mo deep level show much greater penetration than expected from previous reports of Mo as a slow diffuser. The data indicate a lower limit of 10 -8 cm 2 /sec for the diffusion coefficient of Mo in silicon at 1200 0 C, consistent with high diffusivities measured for other transition metals
Anomalous fast diffusion in Cu-NiFe nanolaminates.
Energy Technology Data Exchange (ETDEWEB)
Jankowski, Alan F. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). Energy Nanomaterials Dept.
2017-09-01
For this work, the decomposition of the one-dimensional composition wave in Cu-NiFe nanolaminate structures is examined using x-ray diffraction to assess the kinetics of phase decomposition. The anomalously high diffusivity value found for long-term aging at room temperature is attributed to the inherent nanostructure that features paths for short-circuit diffusion in nanolaminates as attributed to interlayer grain boundaries.
An inverse diffusivity problem for the helium production–diffusion equation
International Nuclear Information System (INIS)
Bao, Gang; Xu, Xiang
2012-01-01
Thermochronology is a technique for the extraction of information about the thermal history of rocks. Such information is crucial for determining the depth below the surface at which rocks were located at a given time (Bao G et al 2011 Commun. Comput. Phys. 9 129). Mathematically, extracting the time–temperature path can be formulated as an inverse diffusivity problem for the helium production–diffusion equation which is the underlying process of thermochronology. In this paper, to reconstruct the diffusivity which depends on space only and accounts for the structural information of rocks, a local Hölder conditional stability is obtained by a Carleman estimate. A uniqueness result is also proven for extracting the thermal history, i.e. identifying the time-dependant part of the diffusion coefficient, provided that it is analytical with respect to time. Numerical examples are presented to illustrate the validity and effectiveness of the proposed regularization scheme. (paper)
Diffusion archeology for diffusion progression history reconstruction
Sefer, Emre; Kingsford, Carl
2015-01-01
Diffusion through graphs can be used to model many real-world processes, such as the spread of diseases, social network memes, computer viruses, or water contaminants. Often, a real-world diffusion cannot be directly observed while it is occurring — perhaps it is not noticed until some time has passed, continuous monitoring is too costly, or privacy concerns limit data access. This leads to the need to reconstruct how the present state of the diffusion came to be from partial d...
Peterson, Donald W.; Tilling, Robert I.
1980-01-01
Nearly all Hawaiian basaltic lava erupts as pahoehoe, and some changes to aa during flowage and cooling; factors governing the transition involve certain critical relations between viscosity and rate of shear strain. If the lava slows, cools, and stops in direct response to concomitant increase in viscosity before these critical relations are reached, it remains pahoehoe. But, if flow mechanics (flow rate, flow dimensions, slope, momentum, etc.) impel the lava to continue to move and deform even after it has become highly viscous, the critical relations may be reached and the lava changes to aa.Typical modes of transition from pahoehoe to aa include: (1) spontaneous formation of relatively stiff clots in parts of the flowing lava where shear rate is highest; these clots grow into discrete, rough, sticky masses to which the remaining fluid lava incrementally adheres; (2) fragmentation and immersion of solid or semi-solid surface crusts of pahoehoe by roiling movements of the flow, forming cores of discrete, tacky masses; (3) sudden renewed movement of lava stored and cooled within surface reservoirs to form clots. The masses, fragments, and clots in these transition modes are characterized by spinose, granulated surfaces; as flow movement continues, the masses and fragments aggregate, fracture, and grind together, completing the transition to aa.Observations show that the critical relation between viscosity and rate of shear strain is inverse: if viscosity is low, a high rate of shear is required to begin the transition to aa; conversely, if viscosity is high, a much lower rate of shear will induce the transition. These relations can be demonstrated qualitatively with simple graphs, which can be used to examine the flow history of any selected finite lava element by tracing the path represented by its changing viscosity and shear rate. A broad, diffuse “transition threshold zone” in these graphs portrays the inverse critical relation between viscosity and shear
The diffusion of infrastructure dependent technologies
Vooren, A. van der; Alkemade, F.
2010-01-01
In order to realize the transition to a more sustainable society, changes in societal subsystems such as energy and transport are necessary. Technological substitution and the diffusion of environmentally friendly technologies are envisioned to play an important role in these changes. New
Path modeling and process control
DEFF Research Database (Denmark)
Høskuldsson, Agnar; Rodionova, O.; Pomerantsev, A.
2007-01-01
and having three or more stages. The methods are applied to a process control of a multi-stage production process having 25 variables and one output variable. When moving along the process, variables change their roles. It is shown how the methods of path modeling can be applied to estimate variables......Many production processes are carried out in stages. At the end of each stage, the production engineer can analyze the intermediate results and correct process parameters (variables) of the next stage. Both analysis of the process and correction to process parameters at next stage should...... be performed regarding the foreseeable output property y, and with respect to an admissible range of correcting actions for the parameters of the next stage. In this paper the basic principles of path modeling is presented. The mathematics is presented for processes having only one stage, having two stages...
Vasileiadou, E.; Huijben, J.C.C.M.; Raven, R.P.J.M.|info:eu-repo/dai/nl/41331927X
2016-01-01
Abstract There is a huge gap between demand and supply of finance for energy transitions, and the financial and economic crisis have had a negative impact in the already meagre funds for transforming the energy system towards renewable sources. In this paper we explore whether crowdfunding for
Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping
2015-12-15
Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber. Copyright © 2015 Elsevier B.V. All rights reserved.
Smooth paths of conditional expectations
Andruchow, Esteban; Larotonda, Gabriel
2010-01-01
Let A be a von Neumann algebra with a finite trace $\\tau$, represented in $H=L^2(A,\\tau)$, and let $B_t\\subset A$ be sub-algebras, for $t$ in an interval $I$. Let $E_t:A\\to B_t$ be the unique $\\tau$-preserving conditional expectation. We say that the path $t\\mapsto E_t$ is smooth if for every $a\\in A$ and $v \\in H$, the map $$ I\
Career path for operations personnel
International Nuclear Information System (INIS)
Asher, J.A.
1985-01-01
This paper explains how selected personnel can now obtain a Bachelor of Science degree in Physics with a Nuclear Power Operations option. The program went into effect the Fall of 1984. Another program was worked out in 1982 whereby students attending the Nuclear Operators Training Program could obtain an Associates of Science degree in Mechanical Engineering Technology at the end of two years of study. This paper presents tables and charts which describe these programs and outline the career path for operators
Path selection during wormhole growth
Yang, Y.; Hakim, S. S.; Bruns, S.; Uesugi, K.; Dalby, K. N.; Stipp, S. L. S.; Sørensen, H. O.
2017-01-01
Growth of wormholes in porous media can lead to self-organization of flow networks with an overwhelming geometric complexity. Despite decades of study, the mechanism by which a dominant wormhole develops its path during growth remains elusive. Here we show that the trajectory of a growing wormhole can be predicted by identifying the flowpath with a so-called minimum cumulative surface. Our theoretical analysis indicates that the cumulative surface determines the position of the dissolution fr...
CERN. Geneva
2017-01-01
Join the path of code linting and discover how it can help you reach higher levels of programming enlightenment. Today we will cover how to embrace code linters to offload cognitive strain on preserving style standards in your code base as well as avoiding error-prone constructs. Additionally, I will show you the journey ahead for integrating several code linters in the programming tools your already use with very little effort.
Path integrals in curvilinear coordinates
International Nuclear Information System (INIS)
Prokhorov, L.V.
1984-01-01
Integration limits are studied for presenting the path integral curvilinear coordinates. For spherical (and topoloqically equivalent) coordinates it is shown that in formulas involving classical action in the exponent integration over all variables should be carried out within infinite limits. Another peculiarity is associated with appearance of the operator q which provides a complete definition of the wave functions out of the physical region. arguments are given upporting the validity of the cited statament in the general case
Scan path entropy and Arrow plots: Capturing scanning behavior of multiple observers
Directory of Open Access Journals (Sweden)
Ignace T C Hooge
2013-12-01
Full Text Available Designers of visual communication material want their material to attract and retain attention. In marketing research, heat maps, dwell time, and time to AOI first hit are often used as evaluation parameters. Here we present two additional measures 1 scan path entropy to quantify gaze guidance and 2 the arrow plot to visualize the average scan path. Both are based on string representations of scan paths. The latter also incorporates transition matrices and time required for 50% of the observers to first hit AOIs (T50. The new measures were tested in an eye tracking study (48 observers, 39 advertisements. Scan path entropy is a sensible measure for gaze guidance and the new visualization method reveals aspects of the average scan path and gives a better indication in what order global scanning takes place.
Nonperturbative path integral expansion II
International Nuclear Information System (INIS)
Kaiser, H.J.
1976-05-01
The Feynman path integral representation of the 2-point function for a self-interacting Bose field is investigated using an expansion ('Path Integral Expansion', PIE) of the exponential of the kinetic term of the Lagrangian. This leads to a series - illustrated by a graph scheme - involving successively a coupling of more and more points of the lattice space commonly employed in the evaluation of path integrals. The values of the individual PIE graphs depend of course on the lattice constant. Two methods - Pade approximation and Borel-type extrapolation - are proposed to extract information about the continuum limit from a finite-order PIE. A more flexible PIE is possible by expanding besides the kinetic term a suitably chosen part of the interaction term too. In particular, if the co-expanded part is a mass term the calculation becomes only slightly more complicated than in the original formulation and the appearance of the graph scheme is unchanged. A significant reduction of the number of graphs and an improvement of the convergence of the PIE can be achieved by performing certain sums over an infinity of graph elements. (author)
Accelerating cleanup: Paths to closure
Energy Technology Data Exchange (ETDEWEB)
Edwards, C.
1998-06-30
This document was previously referred to as the Draft 2006 Plan. As part of the DOE`s national strategy, the Richland Operations Office`s Paths to Closure summarizes an integrated path forward for environmental cleanup at the Hanford Site. The Hanford Site underwent a concerted effort between 1994 and 1996 to accelerate the cleanup of the Site. These efforts are reflected in the current Site Baseline. This document describes the current Site Baseline and suggests strategies for further improvements in scope, schedule and cost. The Environmental Management program decided to change the name of the draft strategy and the document describing it in response to a series of stakeholder concerns, including the practicality of achieving widespread cleanup by 2006. Also, EM was concerned that calling the document a plan could be misconstrued to be a proposal by DOE or a decision-making document. The change in name, however, does not diminish the 2006 vision. To that end, Paths to Closure retains a focus on 2006, which serves as a point in time around which objectives and goals are established.
Study and simulations of quick diffusion in Zr-based alloys
Energy Technology Data Exchange (ETDEWEB)
Corvalán, C., E-mail: corvalan@cnea.gov.ar [UNTREF (Universidad Nacional de Tres de Febrero), General Enrique Mosconi 2736, B1674AHF, Buenos Aires (Argentina); Gerencia de Materiales, CAC, Comisión de Energía Atómica, Av. del Libertador 8250, C1429BNP Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina); Lucía, A. [UNTREF (Universidad Nacional de Tres de Febrero), General Enrique Mosconi 2736, B1674AHF, Buenos Aires (Argentina); Instituto Sabato, Comisión Nacional de Energía Atómica, Universidad Nacional de San Martín, Buenos Aires (Argentina); Iribarren, M. [Gerencia de Materiales, CAC, Comisión de Energía Atómica, Av. del Libertador 8250, C1429BNP Buenos Aires (Argentina); Instituto Sabato, Comisión Nacional de Energía Atómica, Universidad Nacional de San Martín, Buenos Aires (Argentina); Servant, C. [Laboratoire de Physicochimie de l' Etat Solide, UMR 8182, ICMMO, Université de Paris-Sud XI, 91405 Orsay Cedex (France); Costa e Silva, A. [Universidade Federal Fluminense, Volta Redonda, RJ (Brazil)
2015-11-15
Zirconium and its alloys are widely used in the nuclear industry. Under normal conditions, Zr-alloys are polycrystalline and contain a high density of grain and interphase boundaries. These boundaries function as paths for accelerated matter movement. The movement of fast diffusing elements (Co, Fe, Cr, Ni) in Zr alloys along boundaries produces technologically important changes in the materials in nuclear reactors at normal temperatures (∼550 K) e.g.: segregation, phase precipitation, hydrogen absorption, etc. In this work, diffusion parameters for fast diffusion in Zr at low temperature were assessed for Co and Cr. An improved database for DICTRA (DIffusion-Controlled-TRAnsformation) software for fast diffusion was obtained. The diffusion parameters in grain boundaries of α-Zr for Cr and Co were used from a particular kinetic diffusion model [1]. Simulated profiles were compared with previous experimental work [2]. The results of the comparison and the adequacy of the improved database are discussed. Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K. - Highlights: • An improved database for fast diffusion paths was obtained. • The diffusion parameters in type C kinetic on fast paths in α-Zr for Cr and Co were used. • Simulated diffusion profiles were compared with previous experimental results. This comparison and the adequacy of the improved database are discussed. • Diffusion parameters for fast diffusion paths in Zr at low temperature were assessed for Co and Cr. • Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K.
Study and simulations of quick diffusion in Zr-based alloys
International Nuclear Information System (INIS)
Corvalán, C.; Lucía, A.; Iribarren, M.; Servant, C.; Costa e Silva, A.
2015-01-01
Zirconium and its alloys are widely used in the nuclear industry. Under normal conditions, Zr-alloys are polycrystalline and contain a high density of grain and interphase boundaries. These boundaries function as paths for accelerated matter movement. The movement of fast diffusing elements (Co, Fe, Cr, Ni) in Zr alloys along boundaries produces technologically important changes in the materials in nuclear reactors at normal temperatures (∼550 K) e.g.: segregation, phase precipitation, hydrogen absorption, etc. In this work, diffusion parameters for fast diffusion in Zr at low temperature were assessed for Co and Cr. An improved database for DICTRA (DIffusion-Controlled-TRAnsformation) software for fast diffusion was obtained. The diffusion parameters in grain boundaries of α-Zr for Cr and Co were used from a particular kinetic diffusion model [1]. Simulated profiles were compared with previous experimental work [2]. The results of the comparison and the adequacy of the improved database are discussed. Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K. - Highlights: • An improved database for fast diffusion paths was obtained. • The diffusion parameters in type C kinetic on fast paths in α-Zr for Cr and Co were used. • Simulated diffusion profiles were compared with previous experimental results. This comparison and the adequacy of the improved database are discussed. • Diffusion parameters for fast diffusion paths in Zr at low temperature were assessed for Co and Cr. • Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K.
Statistical Analysis of the First Passage Path Ensemble of Jump Processes
von Kleist, Max; Schütte, Christof; Zhang, Wei
2018-02-01
The transition mechanism of jump processes between two different subsets in state space reveals important dynamical information of the processes and therefore has attracted considerable attention in the past years. In this paper, we study the first passage path ensemble of both discrete-time and continuous-time jump processes on a finite state space. The main approach is to divide each first passage path into nonreactive and reactive segments and to study them separately. The analysis can be applied to jump processes which are non-ergodic, as well as continuous-time jump processes where the waiting time distributions are non-exponential. In the particular case that the jump processes are both Markovian and ergodic, our analysis elucidates the relations between the study of the first passage paths and the study of the transition paths in transition path theory. We provide algorithms to numerically compute statistics of the first passage path ensemble. The computational complexity of these algorithms scales with the complexity of solving a linear system, for which efficient methods are available. Several examples demonstrate the wide applicability of the derived results across research areas.
A path integral approach to the Hodgkin-Huxley model
Baravalle, Roman; Rosso, Osvaldo A.; Montani, Fernando
2017-11-01
To understand how single neurons process sensory information, it is necessary to develop suitable stochastic models to describe the response variability of the recorded spike trains. Spikes in a given neuron are produced by the synergistic action of sodium and potassium of the voltage-dependent channels that open or close the gates. Hodgkin and Huxley (HH) equations describe the ionic mechanisms underlying the initiation and propagation of action potentials, through a set of nonlinear ordinary differential equations that approximate the electrical characteristics of the excitable cell. Path integral provides an adequate approach to compute quantities such as transition probabilities, and any stochastic system can be expressed in terms of this methodology. We use the technique of path integrals to determine the analytical solution driven by a non-Gaussian colored noise when considering the HH equations as a stochastic system. The different neuronal dynamics are investigated by estimating the path integral solutions driven by a non-Gaussian colored noise q. More specifically we take into account the correlational structures of the complex neuronal signals not just by estimating the transition probability associated to the Gaussian approach of the stochastic HH equations, but instead considering much more subtle processes accounting for the non-Gaussian noise that could be induced by the surrounding neural network and by feedforward correlations. This allows us to investigate the underlying dynamics of the neural system when different scenarios of noise correlations are considered.
Elastic path controller for assistive devices.
Long, B; Rebsamen, B; Burdet, E; Yu, H; Teo, C L
2005-01-01
Robotic assistive devices that constrain motion along pre-defined paths are useful in reducing maneuvering efforts by human. This paper introduces an Elastic Path Controller (EPC) that adds "elasticity" to the path following and enables dynamic modification of the paths. This permits the users to compensate for changes in the environment such as introduction of new obstacles or for errors in position sensing. The experiments performed on a Scooter cobot show that users can learn to use this novel tool to modify and design guiding paths in a relatively simple way. The operators use the EPC by pushing/pulling against the guided paths to produce the desired deformations. Then, by just dropping the forces and trusting the path controller, they will be brought back to the guided paths.
Cooperative path planning of unmanned aerial vehicles
Tsourdos, Antonios; Shanmugavel, Madhavan
2010-01-01
An invaluable addition to the literature on UAV guidance and cooperative control, Cooperative Path Planning of Unmanned Aerial Vehicles is a dedicated, practical guide to computational path planning for UAVs. One of the key issues facing future development of UAVs is path planning: it is vital that swarm UAVs/ MAVs can cooperate together in a coordinated manner, obeying a pre-planned course but able to react to their environment by communicating and cooperating. An optimized path is necessary in order to ensure a UAV completes its mission efficiently, safely, and successfully. Focussing on the path planning of multiple UAVs for simultaneous arrival on target, Cooperative Path Planning of Unmanned Aerial Vehicles also offers coverage of path planners that are applicable to land, sea, or space-borne vehicles. Cooperative Path Planning of Unmanned Aerial Vehicles is authored by leading researchers from Cranfield University and provides an authoritative resource for researchers, academics and engineers working in...
Time optimal paths for high speed maneuvering
Energy Technology Data Exchange (ETDEWEB)
Reister, D.B.; Lenhart, S.M.
1993-01-01
Recent theoretical results have completely solved the problem of determining the minimum length path for a vehicle with a minimum turning radius moving from an initial configuration to a final configuration. Time optimal paths for a constant speed vehicle are a subset of the minimum length paths. This paper uses the Pontryagin maximum principle to find time optimal paths for a constant speed vehicle. The time optimal paths consist of sequences of axes of circles and straight lines. The maximum principle introduces concepts (dual variables, bang-bang solutions, singular solutions, and transversality conditions) that provide important insight into the nature of the time optimal paths. We explore the properties of the optimal paths and present some experimental results for a mobile robot following an optimal path.
Microfabricated diffusion source
Oborny, Michael C [Albuquerque, NM; Frye-Mason, Gregory C [Cedar Crest, NM; Manginell, Ronald P [Albuquerque, NM
2008-07-15
A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.
Classical and quantum dynamics from classical paths to path integrals
Dittrich, Walter
2016-01-01
Graduate students who want to become familiar with advanced computational strategies in classical and quantum dynamics will find here both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name a few. Well-chosen and detailed examples illustrate the perturbation theory, canonical transformations, the action principle and demonstrate the usage of path integrals. This new edition has been revised and enlarged with chapters on quantum electrodynamics, high energy physics, Green’s functions and strong interaction.
Partial Path Column Generation for the ESPPRC
DEFF Research Database (Denmark)
Jepsen, Mads Kehlet; Petersen, Bjørn
This talk introduces a decomposition of the Elementary Shortest Path Problem with Resource Constraints(ESPPRC), where the path is combined by smaller sub paths. We show computational result by comparing different approaches for the decomposition and compare the best of these with existing algorit...
Qureshi, Asima; Petrucco, James
2018-01-01
Meadowbrook Primary School has explored the use of The Teacher Assessment in Primary Science (TAPS) to support transition, initially for transfer to secondary school and now for transition from Early Years Foundation Stage (EYFS) into Key Stage 1 (ages 5-7). This article will consider an example of a secondary transition project and discuss the…
An efficient algorithm for finding the minimum energy path for cation migration in ionic materials.
Rong, Ziqin; Kitchaev, Daniil; Canepa, Pieremanuele; Huang, Wenxuan; Ceder, Gerbrand
2016-08-21
The Nudged Elastic Band (NEB) is an established method for finding minimum-energy paths and energy barriers of ion migration in materials, but has been hampered in its general application by its significant computational expense when coupled with density functional theory (DFT) calculations. Typically, an NEB calculation is initialized from a linear interpolation of successive intermediate structures (also known as images) between known initial and final states. However, the linear interpolation introduces two problems: (1) slow convergence of the calculation, particularly in cases where the final path exhibits notable curvature; (2) divergence of the NEB calculations if any intermediate image comes too close to a non-diffusing species, causing instabilities in the ensuing calculation. In this work, we propose a new scheme to accelerate NEB calculations through an improved path initialization and associated energy estimation workflow. We demonstrate that for cation migration in an ionic framework, initializing the diffusion path as the minimum energy path through a static potential built upon the DFT charge density reproduces the true NEB path within a 0.2 Å deviation and yields up to a 25% improvement in typical NEB runtimes. Furthermore, we find that the locally relaxed energy barrier derived from this initialization yields a good approximation of the NEB barrier, with errors within 20 meV of the true NEB value, while reducing computational expense by up to a factor of 5. Finally, and of critical importance for the automation of migration path calculations in high-throughput studies, we find that the new approach significantly enhances the stability of the calculation by avoiding unphysical image initialization. Our algorithm promises to enable efficient calculations of diffusion pathways, resolving a long-standing obstacle to the computational screening of intercalation compounds for Li-ion and multivalent batteries.
Energy Technology Data Exchange (ETDEWEB)
Yang, Wenlong, E-mail: yangwenlong1983@163.com; Wang, Li; Li, Haidong; Han, Junsheng; Xiu, Hanjiang; Zhou, Zhongxiang
2016-10-01
Lead-free ceramics (Na{sub 0.52}K{sub 0.44}Li{sub 0.04}){sub 1−3x}La{sub x}Nb{sub 0.8}Ta{sub 0.2}O{sub 3} (KNLNT-Lax, x=0.00, 0.25, 0.5, 0.75, 1.00, 1.25 mol%) as non-polluting materials were prepared by solid state reaction method. The structure, piezoelectric proprieties and temperature stability of KNLNT ceramic with different La doping concentrations were investigated. The results show a transition from orthorhombic-tetragonal mix phase to tetragonal single phase with the variation of La{sup 3+} concentrations. The SEM micrographs of surface and fractured surface show a dense microstructure with few micropores. The La-doped KNLTN ceramic will be an alternative candidate contributes to excellent piezoelectric properties, which are found in the 0.75 mol% La-doped KNLNT ceramics, with d{sub 33}=215pC/N, k{sub p}=42.8%and Q{sub m}=89. It has been remarkably improved that the temperature stability of KNLTN-Lax piezoelectric properties at room temperature, and the dielectric relaxation can be observed obviously. The mechanism of La doping was analyzed in terms of valence compensation and polymorphic phase transition (PPT) diffusion. The orthorhombic-tetragonal phase transition around room temperature and the relaxation transition were considered contributing to the excellent piezoelectric performance and improved temperature stability of La{sup 3+}-doped KNLTN.
International Nuclear Information System (INIS)
Opitz, Alexander K.; Lutz, Alexander; Kubicek, Markus; Kubel, Frank; Hutter, Herbert; Fleig, Juergen
2011-01-01
Highlights: → Oxygen exchange kinetics of Pt on YSZ investigated by means of Pt model electrodes. → Two different geometry dependencies of the polarization resistance identified. → At higher temperatures the oxygen exchange reaction proceeds via a Pt surface path. → At lower temperatures a bulk path through the Pt thin film electrode is discussed. - Abstract: The oxygen exchange kinetics of platinum on yttria-stabilized zirconia (YSZ) was investigated by means of geometrically well-defined Pt microelectrodes. By variation of electrode size and temperature it was possible to separate two temperature regimes with different geometry dependencies of the polarization resistance. At higher temperatures (550-700 deg. C) an elementary step located close to the three phase boundary (TPB) with an activation energy of ∼1.6 eV was identified as rate limiting. At lower temperatures (300-400 deg. C) the rate limiting elementary step is related to the electrode area and exhibited a very low activation energy in the order of 0.2 eV. From these observations two parallel pathways for electrochemical oxygen exchange are concluded. The nature of these two elementary steps is discussed in terms of equivalent circuits. Two combinations of parallel rate limiting reaction steps are found to explain the observed geometry dependencies: (i) Diffusion through an impurity phase at the TPB in parallel to diffusion of oxygen through platinum - most likely along Pt grain boundaries - as area-related process. (ii) Co-limitation of oxygen diffusion along the Pt|YSZ interface and charge transfer at the interface with a short decay length of the corresponding transmission line (as TPB-related process) in parallel to oxygen diffusion through platinum.
... medlineplus.gov/ency/article/003854.htm Lung diffusion testing To use the sharing features on this page, please enable JavaScript. Lung diffusion testing measures how well the lungs exchange gases. This ...
Nonlinear ambipolar diffusion waves
Energy Technology Data Exchange (ETDEWEB)
Mendonca, J.T.; Rowlands, G.
1985-07-01
The evolution of a plasma perturbation in a neutral gas is considered using the ambipolar diffusion approximation. A nonlinear diffusion equation is derived and, in the one-dimensional case, exact solutions of shock type are obtained.
Study of uranium-titanium diffusion
International Nuclear Information System (INIS)
Adda, Y.; Philibert, J.
1959-01-01
In the overall scheme of research on the chemical diffusion of uranium and the transition metals we have studied the uranium-titanium system. The diffusion couples are prepared by welding together small plates of uranium and titanium under pressure, using a technique already described by us. After diffusion under vacuum, polished sections of the samples were micro-graphically examined. This inspection showed that intergranular diffusion occurred at temperatures below 650 deg. C. At higher temperatures, the diffusion occurred uniquely throughout the volume of the metal, and the diffusion zone appeared as a succession of micro-graphically distinguishable bands. Study of the rate of increase of these corresponding 'penetration coefficients'. In addition, we have observed important variations in microhardness within the diffusion zone, we have tried to relate these variations to the variation of concentration. This is measured with the Castaing microprobe. We have thus accurately established the concentration-penetration curves for temperatures between 950 and 1075 deg. C. From these curves, we have calculated the diffusion coefficient D as a function of the concentration using Matano's method. At all temperatures, D(c) curve has a U form as for the U-Zr system. The activation energy has a maximum value of 42 kcal/g atom at an atomic concentration of 0,5. Even though we have rarely seen pores in the diffusion zone, we have nevertheless observed an important Kirkendall-effect by studying the displacements x i of the interface using tungsten wires as markers. These displacements can be expressed as a function of time and temperature by the equation: x i = 0,9 t 1/2 exp ( - 14600/(RT)). Finally, using Darken's equations we calculated the intrinsic diffusion coefficients Du and Dti as well as the corresponding activation energies. These energies are similar (QU = 38,5 and QTi = 40 kcal/at. g) and also almost the same as those found for the U-Zr system. (author) [fr
Optical path control in the MAM testbed
Regehr, M. W.; Hines, B.; Holmes, B.
2003-01-01
Future space-based optical interferometers will require control of the optical path delay to accomplish some or all of the three objectives: balancing the optical path in the two arms to within a tolerance corresponding to the coherence length of the star light being observed, modulating the optical path in order to observe the phase of the star light interference fringe, and modulating the path length in order to reduce the effect of cyclic errors in the laser metrology system used to measure the optical path length in the two arms of the interferometer.
Two Generations of Path Dependence in Economics?
DEFF Research Database (Denmark)
Madsen, Mogens Ove
2010-01-01
Even if there is no fully articulated and generally accepted theory of Path Dependence it has eagerly been taken up across a wide range of social sciences – primarily coming from economics. Path Dependence is most of all a metaphor that offers reason to believe, that some political, social...... or economic processes have multiple possible paths of outcomes, rather than a unique path of equilibria. The selection among outcomes may depend on contingent choices or events – outcomes of path-dependent processes require a very relevant study – a perception of history....
International Nuclear Information System (INIS)
Johnston, Steven
2009-01-01
We describe a quantum mechanical model for particle propagation on a causal set. The model involves calculating a particle propagator by summing amplitudes assigned to trajectories within the causal set. This 'discrete path integral' is calculated using a matrix geometric series. Amplitudes are given which, when the causal set is generated by sprinkling points into 1+1 or 3+1 Minkowski spacetime, ensure the particle propagator agrees in a suitable sense, with the retarded causal propagator for the Klein-Gordon equation.
Uncommon paths in quantum physics
Kazakov, Konstantin V
2014-01-01
Quantum mechanics is one of the most fascinating, and at the same time most controversial, branches of contemporary science. Disputes have accompanied this science since its birth and have not ceased to this day. Uncommon Paths in Quantum Physics allows the reader to contemplate deeply some ideas and methods that are seldom met in the contemporary literature. Instead of widespread recipes of mathematical physics, based on the solutions of integro-differential equations, the book follows logical and partly intuitional derivations of non-commutative algebra. Readers can directly penetrate the
Cargille, Brian; Branvold, Dwight
2000-01-01
Explains how Hewlett-Packard creates supply chain management innovations and effectively diffuses new technologies. Outlines how performance technologists help accelerate the diffusion and adoption of innovations by modifying innovations, define the client adoption path, create resources to lead clients through adoption, and improve the diffusion…
Jumps into democracy: The transition in the Polity Index
DEFF Research Database (Denmark)
Paldam, Martin; Gundlach, Erich
The Democratic Transition is the process of regime change from authoritarian at the traditional level of development to democratic at the modern level. This process is analyzed on 7,565 pairs of income and political regime data. Regimes are normally in local status quo equilibrium, so they have...... stepwise stability. The 158 countries are divided in two groups: A small OPEC group, where the transition is skew, and a Main group, where the data show the well-defined long-run path of the Democratic Transition. The distance to the transition path is termed the tension of the regime. The short...
Welding Robot Collision-Free Path Optimization
Directory of Open Access Journals (Sweden)
Xuewu Wang
2017-02-01
Full Text Available Reasonable welding path has a significant impact on welding efficiency, and a collision-free path should be considered first in the process of welding robot path planning. The shortest path length is considered as an optimization objective, and obstacle avoidance is considered as the constraint condition in this paper. First, a grid method is used as a modeling method after the optimization objective is analyzed. For local collision-free path planning, an ant colony algorithm is selected as the search strategy. Then, to overcome the shortcomings of the ant colony algorithm, a secondary optimization is presented to improve the optimization performance. Finally, the particle swarm optimization algorithm is used to realize global path planning. Simulation results show that the desired welding path can be obtained based on the optimization strategy.
Suppressing drift chamber diffusion without magnetic field
International Nuclear Information System (INIS)
Martoff, C.J.; Snowden-Ifft, D.P.; Ohnuki, T.; Spooner, N.; Lehner, M.
2000-01-01
The spatial resolution in drift chamber detectors for ionizing radiation is limited by diffusion of the primary electrons. A strong magnetic field along the drift direction is often applied (Fancher et al., Nucl. Instr. and Meth. A 161 (1979) 383) because it suppresses the transverse diffusion, improving the resolution but at considerable increase in cost and complexity. Here we show that transverse track diffusion can be strongly suppressed without any magnetic field. This is achieved by using a gas additive which reversibly captures primary ionization electrons, forming negative ions. The ions drift with thermal energies even at very high drift fields and low pressures (E/P=28.5 V/cm torr), and the diffusion decreases with increasing drift field. Upon arrival at the avalanche region of the chamber the negative ions are efficiently stripped and ordinary avalanche gain is obtained. Using this technique, r.m.s. transverse diffusion less than 200 μm has been achieved over a 15 cm drift path at 40 torr with zero magnetic field. The method can provide high spatial resolution in detectors with long drift distances and zero magnetic field. Negative ion drift chambers would be particularly useful at low pressures and in situations such as space-based or underground experiments where detector size scaleability is important and cost, space, or power constraints preclude the use of a magnetic field
Characterization of supersonic radiation diffusion waves
International Nuclear Information System (INIS)
Moore, Alastair S.; Guymer, Thomas M.; Morton, John; Williams, Benjamin; Kline, John L.; Bazin, Nicholas; Bentley, Christopher; Allan, Shelly; Brent, Katie; Comley, Andrew J.; Flippo, Kirk; Cowan, Joseph; Taccetti, J. Martin; Mussack-Tamashiro, Katie; Schmidt, Derek W.; Hamilton, Christopher E.; Obrey, Kimberly; Lanier, Nicholas E.; Workman, Jonathan B.; Stevenson, R. Mark
2015-01-01
Supersonic and diffusive radiation flow is an important test problem for the radiative transfer models used in radiation-hydrodynamics computer codes owing to solutions being accessible via analytic and numeric methods. We present experimental results with which we compare these solutions by studying supersonic and diffusive flow in the laboratory. We present results of higher-accuracy experiments than previously possible studying radiation flow through up to 7 high-temperature mean free paths of low-density, chlorine-doped polystyrene foam and silicon dioxide aerogel contained by an Au tube. Measurements of the heat front position and absolute measurements of the x-ray emission arrival at the end of the tube are used to test numerical and analytical models. We find excellent absolute agreement with simulations provided that the opacity and the equation of state are adjusted within expected uncertainties; analytical models provide a good phenomenological match to measurements but are not in quantitative agreement due to their limited scope. - Highlights: • The supersonic, diffusion of x-rays through sub-solid density materials is studied. • The data are more diffusive and of higher velocity than any prior work. • Scaled 1D analytic diffusion models reproduce the heat front evolution. • Refined radiation transport approximations are tested in numerical simulations. • Simulations match the data if material properties are adjusted within uncertainties
Suppressing drift chamber diffusion without magnetic field
Martoff, C J; Ohnuki, T; Spooner, N J C; Lehner, M
2000-01-01
The spatial resolution in drift chamber detectors for ionizing radiation is limited by diffusion of the primary electrons. A strong magnetic field along the drift direction is often applied (Fancher et al., Nucl. Instr. and Meth. A 161 (1979) 383) because it suppresses the transverse diffusion, improving the resolution but at considerable increase in cost and complexity. Here we show that transverse track diffusion can be strongly suppressed without any magnetic field. This is achieved by using a gas additive which reversibly captures primary ionization electrons, forming negative ions. The ions drift with thermal energies even at very high drift fields and low pressures (E/P=28.5 V/cm torr), and the diffusion decreases with increasing drift field. Upon arrival at the avalanche region of the chamber the negative ions are efficiently stripped and ordinary avalanche gain is obtained. Using this technique, r.m.s. transverse diffusion less than 200 mu m has been achieved over a 15 cm drift path at 40 torr with ze...
SSME propellant path leak detection
Crawford, Roger; Shohadaee, Ahmad Ali; Powers, W. T.
1995-01-01
The primary objective of this phase of the investigation is the experimental validation of techniques for detecting and analyzing propellant path external leaks which have a high probability of occurring on the SSME. The selection of candidate detection methods requires a good analytic model for leak plumes which would develop from external leaks and an understanding of radiation transfer through the leak plume. One advanced propellant path leak detection technique is obtained by using state-of-art technology of infrared (IR) thermal imaging systems combined with computer, digital image processing and expert systems for the engine protection. The feasibility of the IR leak plume detection will be evaluated on subscale simulated laboratory plumes to determine sensitivity, signal to noise, and general suitability for the application. The theoretical analysis was undertaken with the objective of developing and testing simple, easy-to-use models to predict the amount of radiation coming from a radiation source, background plate (BP), which can be absorbed, emitted and scattered by the gas leaks.
Fractional diffusion equations and anomalous diffusion
Evangelista, Luiz Roberto
2018-01-01
Anomalous diffusion has been detected in a wide variety of scenarios, from fractal media, systems with memory, transport processes in porous media, to fluctuations of financial markets, tumour growth, and complex fluids. Providing a contemporary treatment of this process, this book examines the recent literature on anomalous diffusion and covers a rich class of problems in which surface effects are important, offering detailed mathematical tools of usual and fractional calculus for a wide audience of scientists and graduate students in physics, mathematics, chemistry and engineering. Including the basic mathematical tools needed to understand the rules for operating with the fractional derivatives and fractional differential equations, this self-contained text presents the possibility of using fractional diffusion equations with anomalous diffusion phenomena to propose powerful mathematical models for a large variety of fundamental and practical problems in a fast-growing field of research.
Transitions Between Convective Patterns in Chemical Fronts
Wu, Y.; Vasquez, D. A.; Edwards, Boyd F.; Wilder, J. W.
1995-01-01
We present a theory for the transition from nonaxisymmetric to axisymmetric convection in iodate-arsenous acid reaction fronts propagating in a vertical slab. The transition takes place away from the onset of convection, where a convectionless flat front becomes unstable to a nonaxisymmetric convective front. The transition is studied by numerically solving a reaction-diffusion equation coupled with nonlinear hydrodynamics in a two-dimensional slab.
Connecting diffusion and entropy of bulk water at the single particle ...
Indian Academy of Sciences (India)
DEBASIS SAHA
coefficients of water molecules at these temperatures. We find that diffusion also shows the well-known fragile to strong crossover transition at around the same temperature where transition in entropy values has been seen. We have calculated both kinetic and thermodynamic fragilities and crossover points using diffusion ...
Gallium interstitial contributions to diffusion in gallium arsenide
Schick, Joseph T.; Morgan, Caroline G.
2011-09-01
A new diffusion path is identified for gallium interstitials, which involves lower barriers than the barriers for previously identified diffusion paths [K. Levasseur-Smith and N. Mousseau, J. Appl. Phys. 103, 113502 (2008), P. A. Schultz and O. A. von Lilienfeld, Modelling and Simulation in Materials Science and Engineering 17, 084007 (2009)] for the charge states which dominate diffusion over most of the available range of Fermi energies. This path passes through the ⟨110⟩ gallium-gallium split interstitial configuration, and has a particularly low diffusion barrier of 0.35 eV for diffusion in the neutral charge state. As a part of this work, the character of the charge states for the gallium interstitials which are most important for diffusion is investigated, and it is shown that the last electron bound to the neutral interstitial occupies a shallow hydrogenic bound state composed of conduction band states for the hexagonal interstitial and both tetrahedral interstitials. How to properly account for the contributions of such interstitials is discussed for density-functional calculations with a k-point mesh not including the conduction band edge point. Diffusion barriers for gallium interstitials are calculated in all the charge states which can be important for a Fermi level anywhere in the gap, q = 0, +1, +2, and +3, for diffusion via the ⟨110⟩ gallium-gallium split interstitial configuration and via the hexagonal interstitial configuration. The lowest activation enthalpies over most of the available range of Fermi energies are found to correspond to diffusion in the neutral or singly positive state via the ⟨110⟩ gallium-gallium split interstitial configuration. It is shown that several different charge states and diffusion paths contribute significantly for Fermi levels within 0.2 eV above the valence band edge, which may help to explain some of the difficulties [H. Bracht and S. Brotzmann, Phys. Rev. B 71, 115216 (2005)] which have been
Gallium interstitial contributions to diffusion in gallium arsenide
Directory of Open Access Journals (Sweden)
Joseph T. Schick
2011-09-01
Full Text Available A new diffusion path is identified for gallium interstitials, which involves lower barriers than the barriers for previously identified diffusion paths [K. Levasseur-Smith and N. Mousseau, J. Appl. Phys. 103, 113502 (2008, P. A. Schultz and O. A. von Lilienfeld, Modelling and Simulation in Materials Science and Engineering 17, 084007 (2009] for the charge states which dominate diffusion over most of the available range of Fermi energies. This path passes through the ⟨110⟩ gallium-gallium split interstitial configuration, and has a particularly low diffusion barrier of 0.35 eV for diffusion in the neutral charge state. As a part of this work, the character of the charge states for the gallium interstitials which are most important for diffusion is investigated, and it is shown that the last electron bound to the neutral interstitial occupies a shallow hydrogenic bound state composed of conduction band states for the hexagonal interstitial and both tetrahedral interstitials. How to properly account for the contributions of such interstitials is discussed for density-functional calculations with a k-point mesh not including the conduction band edge point. Diffusion barriers for gallium interstitials are calculated in all the charge states which can be important for a Fermi level anywhere in the gap, q = 0, +1, +2, and +3, for diffusion via the ⟨110⟩ gallium-gallium split interstitial configuration and via the hexagonal interstitial configuration. The lowest activation enthalpies over most of the available range of Fermi energies are found to correspond to diffusion in the neutral or singly positive state via the ⟨110⟩ gallium-gallium split interstitial configuration. It is shown that several different charge states and diffusion paths contribute significantly for Fermi levels within 0.2 eV above the valence band edge, which may help to explain some of the difficulties [H. Bracht and S. Brotzmann, Phys. Rev. B 71, 115216 (2005] which
Transition radiation and transition scattering
International Nuclear Information System (INIS)
Ginzburg, V.L.
1982-01-01
Transition radiation is a process of a rather general character. It occurs when some source, which does not have a proper frequency (for example, a charge) moves at a constant velocity in an inhomogeneous and (or) nonstationary medium or near such a medium. The simplest type of transition radiation takes place when a charge crosses a boundary between two media (the role of one of the media may be played by vacuum). In the case of periodic variation of the medium, transition radiation possesses some specific features (resonance transition radiation or transition scattering). Transition scattering occurs, in particular, when a permittivity wave falls onto an nonmoving (fixed) charge. Transition scattering is closely connected with transition bremsstrahlung radiation. All these transition processes are essential for plasma physics. Transition radiation and transition scattering have analogues outside the framework of electrodynamics (like in the case of Vavilov-Cherenkov radiation). In the present report the corresponding range of phenomena is elucidated, as far as possible, in a generally physical aspect. (Auth.)
Classical and quantum dynamics from classical paths to path integrals
Dittrich, Walter
2017-01-01
Graduate students who wish to become familiar with advanced computational strategies in classical and quantum dynamics will find in this book both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name just a few topics. Well-chosen and detailed examples illustrate perturbation theory, canonical transformations and the action principle, and demonstrate the usage of path integrals. The fifth edition has been revised and enlarged to include chapters on quantum electrodynamics, in particular, Schwinger’s proper time method and the treatment of classical and quantum mechanics with Lie brackets and pseudocanonical transformations. It is shown that operator quantum electrodynamics can be equivalently described with c-numbers, as demonstrated by calculating the propagation function for an electron in a prescribed classical electromagnetic field.
Optimizing Tailored Bus Bridging Paths
Gu, Wei; Yu, Jie; Ji, Yuxiong; van der Gun, J.P.T.; Pel, A.J.; Zhang, H. Michael; van Arem, B.
2017-01-01
Metro disruptions due to unexpected events reduce transit system reliability, resulting in significant productivity loss and long passenger delays. Bus bridging strategy is often used to connect stations affected by metro disruptions such that passengers could continue their journey. The literature
Spin Diffusion in Trapped Clouds of Cold Atoms with Resonant Interactions
DEFF Research Database (Denmark)
Bruun, Georg Morten; Pethick, C. J.
2011-01-01
We show that puzzling recent experimental results on spin diffusion in a strongly interacting atomic gas may be understood in terms of the predicted spin diffusion coefficient for a generic strongly interacting system. Three important features play a central role: (a) Fick’s law for diffusion mus...... be modified to allow for the trapping potential; (b) the diffusion coefficient is inhomogeneous, due to the density variations in the cloud; and (c) the diffusion approximation fails in the outer parts of the cloud, where the mean free path is long....
Closed-time path formalism of quantum scattering
International Nuclear Information System (INIS)
Manoukian, E.B.
1988-01-01
The closed-time path formalism of quantum mechanics, first introduced by Schwinger, is developed starting from a second-quantized formalism by using a functional calculus. An exact functional expression for the closed-time amplitude for a particle state (not just of the vacuum state)is derived from which time-dependent expectation value of observables may be written in closed functional form. In particular, this leads directly to the expression for transition probabilities for scattering theory without computing first the corresponding amplitudes. Finally it is made a comparison with the standard approach
Pathfinder: Visual Analysis of Paths in Graphs
Partl, C.; Gratzl, S.; Streit, M.; Wassermann, A. M.; Pfister, H.; Schmalstieg, D.; Lex, A.
2016-01-01
The analysis of paths in graphs is highly relevant in many domains. Typically, path-related tasks are performed in node-link layouts. Unfortunately, graph layouts often do not scale to the size of many real world networks. Also, many networks are multivariate, i.e., contain rich attribute sets associated with the nodes and edges. These attributes are often critical in judging paths, but directly visualizing attributes in a graph layout exacerbates the scalability problem. In this paper, we present visual analysis solutions dedicated to path-related tasks in large and highly multivariate graphs. We show that by focusing on paths, we can address the scalability problem of multivariate graph visualization, equipping analysts with a powerful tool to explore large graphs. We introduce Pathfinder (Figure 1), a technique that provides visual methods to query paths, while considering various constraints. The resulting set of paths is visualized in both a ranked list and as a node-link diagram. For the paths in the list, we display rich attribute data associated with nodes and edges, and the node-link diagram provides topological context. The paths can be ranked based on topological properties, such as path length or average node degree, and scores derived from attribute data. Pathfinder is designed to scale to graphs with tens of thousands of nodes and edges by employing strategies such as incremental query results. We demonstrate Pathfinder's fitness for use in scenarios with data from a coauthor network and biological pathways. PMID:27942090
Pathfinder: Visual Analysis of Paths in Graphs.
Partl, C; Gratzl, S; Streit, M; Wassermann, A M; Pfister, H; Schmalstieg, D; Lex, A
2016-06-01
The analysis of paths in graphs is highly relevant in many domains. Typically, path-related tasks are performed in node-link layouts. Unfortunately, graph layouts often do not scale to the size of many real world networks. Also, many networks are multivariate, i.e., contain rich attribute sets associated with the nodes and edges. These attributes are often critical in judging paths, but directly visualizing attributes in a graph layout exacerbates the scalability problem. In this paper, we present visual analysis solutions dedicated to path-related tasks in large and highly multivariate graphs. We show that by focusing on paths, we can address the scalability problem of multivariate graph visualization, equipping analysts with a powerful tool to explore large graphs. We introduce Pathfinder (Figure 1), a technique that provides visual methods to query paths, while considering various constraints. The resulting set of paths is visualized in both a ranked list and as a node-link diagram. For the paths in the list, we display rich attribute data associated with nodes and edges, and the node-link diagram provides topological context. The paths can be ranked based on topological properties, such as path length or average node degree, and scores derived from attribute data. Pathfinder is designed to scale to graphs with tens of thousands of nodes and edges by employing strategies such as incremental query results. We demonstrate Pathfinder's fitness for use in scenarios with data from a coauthor network and biological pathways.
Integrated assignment and path planning
Murphey, Robert A.
2005-11-01
A surge of interest in unmanned systems has exposed many new and challenging research problems across many fields of engineering and mathematics. These systems have the potential of transforming our society by replacing dangerous and dirty jobs with networks of moving machines. This vision is fundamentally separate from the modern view of robotics in that sophisticated behavior is realizable not by increasing individual vehicle complexity, but instead through collaborative teaming that relies on collective perception, abstraction, decision making, and manipulation. Obvious examples where collective robotics will make an impact include planetary exploration, space structure assembly, remote and undersea mining, hazardous material handling and clean-up, and search and rescue. Nonetheless, the phenomenon driving this technology trend is the increasing reliance of the US military on unmanned vehicles, specifically, aircraft. Only a few years ago, following years of resistance to the use of unmanned systems, the military and civilian leadership in the United States reversed itself and have recently demonstrated surprisingly broad acceptance of increasingly pervasive use of unmanned platforms in defense surveillance, and even attack. However, as rapidly as unmanned systems have gained acceptance, the defense research community has discovered the technical pitfalls that lie ahead, especially for operating collective groups of unmanned platforms. A great deal of talent and energy has been devoted to solving these technical problems, which tend to fall into two categories: resource allocation of vehicles to objectives, and path planning of vehicle trajectories. An extensive amount of research has been conducted in each direction, yet, surprisingly, very little work has considered the integrated problem of assignment and path planning. This dissertation presents a framework for studying integrated assignment and path planning and then moves on to suggest an exact
Testing and Micromechanical Modelling of Rockfill Materials Considering the Effect of Stress Path
Directory of Open Access Journals (Sweden)
Wang Feng
2016-01-01
Full Text Available We have extended the micromechanics-based analytical (M-A model to make it capable of simulating Nuozhadu rockfill material (NRFM under different stress paths. Two types of drained triaxial tests on NRFM were conducted, namely, the stress paths of constant stress ratio (CSR and the complex stress paths with transitional features. The model was improved by considering the interparticle parameter variation with the unloading-reloading cycles and the effect of the stress transition path. The evolution of local dilatancy at interparticle planes due to an externally applied load is also discussed. Compared with Duncan-Chang’s E-u and E-B models, the improved model could not only better describe the deformation properties of NRFM under the stress path loading, but also present the volumetric strain changing from dilatancy to contractancy with increasing transitional confining pressures. All simulations have demonstrated that the proposed M-A model is capable of modelling the mechanical behaviour of NRFM in the dam.
The Chinese path to individualization.
Yan, Yunxiang
2010-09-01
This article explores the rise of the individual and the consequential individualization of society which should be viewed as a reflexive part of China's state-sponsored quest for modernity. It traces the origin of the individualization process to the Maoist era, arguing that some collectivist programmes of social engineering and the socialist path of modernization under Maoism ironically resulted in a partial individualization of Chinese society. Examining profound social changes during the three decades of the post-Mao reforms, the article reveals a number of similarities with the individualization process in Western Europe but also demonstrates some important differences. In the last section, the theoretical implications of the Chinese case in light of Ulrich Beck's theory of individualization and second modernity are discussed. © London School of Economics and Political Science 2010.
Strategic Team AI Path Plans: Probabilistic Pathfinding
Directory of Open Access Journals (Sweden)
Tng C. H. John
2008-01-01
Full Text Available This paper proposes a novel method to generate strategic team AI pathfinding plans for computer games and simulations using probabilistic pathfinding. This method is inspired by genetic algorithms (Russell and Norvig, 2002, in that, a fitness function is used to test the quality of the path plans. The method generates high-quality path plans by eliminating the low-quality ones. The path plans are generated by probabilistic pathfinding, and the elimination is done by a fitness test of the path plans. This path plan generation method has the ability to generate variation or different high-quality paths, which is desired for games to increase replay values. This work is an extension of our earlier work on team AI: probabilistic pathfinding (John et al., 2006. We explore ways to combine probabilistic pathfinding and genetic algorithm to create a new method to generate strategic team AI pathfinding plans.
General Accounting Office, Washington, DC. Health, Education, and Human Services Div.
The Projects for Assistance in Transition from Homelessness (PATH) program provides the states and territories with funds to serve homeless individuals who are seriously mentally ill or dually diagnosed with serious mental illness and substance abuse disorders. As part of the mandate of the authorizing legislation, the General Accounting Office…
Country risk, FDI flows and convergence trends in the context of the Investment Development Path
Frenken, Jonas Hub; Mbuvi, Dorcas
2017-01-01
Based on the identification of two transition phases within the Investment Development Path (IDP), this study explores the relationship between country risk and foreign direct investment (FDI) over time and in relation to the process of economic convergence between emerging and developed economies.
Two-Level System Coupled to Phonons : A Discrete Path-Integral Method
Raedt, Bart De; Raedt, Hans De
1983-01-01
A discrete path-integral representation for the partition function of a two-level tunneling system coupled to acoustic phonons is derived. This representation allows calculation of properties in the whole coupling range. As a function of the coupling there is an abrupt (ground-state) transition from
Crack path morphology in dual phase steel
International Nuclear Information System (INIS)
Sarwar, M.
1995-01-01
The crack path morphology in low carbon, low alloy dual phase steel has been investigated. Thermomechanical processing and inter critical heat treatments were used to vary proportion, morphology, and distribution of the ferrite and martensite phases. The tortuous morphology of crack path was observed in unrolled material at high delta K. In thermo mechanically processed material, the crack tended to cross martensite frequently and crack path become less circuitous. (author)
Design of Active N-path Filters
Darvishi, M.; van der Zee, Ronan A.R.; Nauta, Bram
2013-01-01
A design methodology for synthesis of active N-path bandpass filters is introduced. Based on this methodology, a 0.1-to-1.2 GHz tunable 6th-order N-path channel-select filter in 65 nm LP CMOS is introduced. It is based on coupling N-path filters with gyrators, achieving a “flat‿ passband shape and
Hereditary Diffuse Infiltrating Retinoblastoma.
Schedler, Katharina J E; Traine, Peter G; Lohmann, Dietmar R; Haritoglou, Christos; Metz, Klaus A; Rodrigues, Eduardo B
2016-01-01
Retinoblastoma is one of the most common childhood cancers. The diffuse infiltrating retinoblastoma is a rare subtype of this neoplasm. The majority of cases of diffuse infiltrating retinoblastoma are unilateral and occur sporadically. Herein we report on a family with three children affected by retinoblastoma, among them one girl with diffuse infiltrating retinoblastoma. This girl was diagnosed at the age of 8 years with a unilateral diffuse infiltrating retinoblastoma. By contrast, the two brothers became clinically apparent in the first 2 years of life with bilateral retinoblastoma. The parents were clinically unremarkable. Genetic analysis of RB1 gene was performed. The girl with diffuse infiltrating RB was found to be heterozygous for an oncogenic mutation in the RB1 gene that was also carried by both brothers and the father of the family. These results show that diffuse infiltrating retinoblastoma can develop on the background of a hereditary predisposition to retinoblastoma.
Metric diffusion along foliations
Walczak, Szymon M
2017-01-01
Up-to-date research in metric diffusion along compact foliations is presented in this book. Beginning with fundamentals from the optimal transportation theory and the theory of foliations; this book moves on to cover Wasserstein distance, Kantorovich Duality Theorem, and the metrization of the weak topology by the Wasserstein distance. Metric diffusion is defined, the topology of the metric space is studied and the limits of diffused metrics along compact foliations are discussed. Essentials on foliations, holonomy, heat diffusion, and compact foliations are detailed and vital technical lemmas are proved to aide understanding. Graduate students and researchers in geometry, topology and dynamics of foliations and laminations will find this supplement useful as it presents facts about the metric diffusion along non-compact foliation and provides a full description of the limit for metrics diffused along foliation with at least one compact leaf on the two dimensions.
The effect of system boundaries on the mean free path for confined gases
Directory of Open Access Journals (Sweden)
Sooraj K. Prabha
2013-10-01
Full Text Available The mean free path of rarefied gases is accurately determined using Molecular Dynamics simulations. The simulations are carried out on isothermal argon gas (Lennard-Jones fluid over a range of rarefaction levels under various confinements (unbounded gas, parallel reflective wall and explicit solid platinum wall bounded gas in a nanoscale domain. The system is also analyzed independently in constitutive sub-systems to calculate the corresponding local mean free paths. Our studies which predominate in the transition regime substantiate the boundary limiting effect on mean free paths owing to the sharp diminution in molecular free paths near the planar boundaries. These studies provide insight to the transport phenomena of rarefied gases through nanochannels which have established their potential in microscale and nanoscale heat transfer applications.
Ballistic and Diffusive Thermal Conductivity of Graphene
Saito, Riichiro; Masashi, Mizuno; Dresselhaus, Mildred S.
2018-02-01
This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. Phonon-related thermal conductivity of graphene is calculated as a function of the temperature and sample size of graphene in which the crossover of ballistic and diffusive thermal conductivity occurs at around 100 K. The diffusive thermal conductivity of graphene is evaluated by calculating the phonon mean free path for each phonon mode in which the anharmonicity of a phonon and the phonon scattering by a 13C isotope are taken into account. We show that phonon-phonon scattering of out-of-plane acoustic phonon by the anharmonic potential is essential for the largest thermal conductivity. Using the calculated results, we can design the optimum sample size, which gives the largest thermal conductivity at a given temperature for applying thermal conducting devices.
Methodology and apparatus for diffuse photon imaging
Feng, S.C.; Zeng, F.; Zhao, H.L.
1997-12-09
Non-invasive near infrared optical medical imaging devices for both hematoma detection in the brain and early tumor detection in the breast is achieved using image reconstruction which allows a mapping of the position dependent contrast diffusive propagation constants, which are related to the optical absorption coefficient and scattering coefficient in the tissue, at near infrared wavelengths. Spatial resolutions in the range of 5 mm for adult brain sizes and breast sizes can be achieved. The image reconstruction utilizes WKB approximation on most probable diffusion paths which has as lowest order approximation the straight line-of-sight between the plurality of sources and the plurality of detectors. The WKB approximation yields a set of linear equations in which the contrast optical absorption coefficients are the unknowns and for which signals can be generated to produce a pixel map of the contrast optical resolution of the scanned tissue. 58 figs.
Sole, Ricard V; Solé, Ricard V; SolÃ©, Ricard V; Sol, Ricard V; Solé, Ricard V
2011-01-01
Phase transitions--changes between different states of organization in a complex system--have long helped to explain physics concepts, such as why water freezes into a solid or boils to become a gas. How might phase transitions shed light on important problems in biological and ecological complex systems? Exploring the origins and implications of sudden changes in nature and society, Phase Transitions examines different dynamical behaviors in a broad range of complex systems. Using a compelling set of examples, from gene networks and ant colonies to human language and the degradation of diverse ecosystems, the book illustrates the power of simple models to reveal how phase transitions occur. Introductory chapters provide the critical concepts and the simplest mathematical techniques required to study phase transitions. In a series of example-driven chapters, Ricard Solé shows how such concepts and techniques can be applied to the analysis and prediction of complex system behavior, including the origins of ...
Path integrals for arbitrary canonical transformations
International Nuclear Information System (INIS)
Oliveira, L.A.R. de.
1980-01-01
Some aspects of the path integral formulation of quantum mechanics are studied. This formalism is generalized to arbitrary canonical transformations, by means of an association between path integral probalility amplitudes and classical generators of transformations, analogous to the usual Hamiltonian time development phase space expression. Such association turns out to be equivalent to the Weyl quantization rule, and it is also shown that this formalism furnishes a path integral representation for a Lie algebra of a given set of classical generators. Some physical considerations about the path integral quantization procedure and about the relationship between classical and quantum dynamical structures are also discussed. (Author) [pt
Techniques and applications of path integration
Schulman, L S
2005-01-01
A book of techniques and applications, this text defines the path integral and illustrates its uses by example. It is suitable for advanced undergraduates and graduate students in physics; its sole prerequisite is a first course in quantum mechanics. For applications requiring specialized knowledge, the author supplies background material.The first part of the book develops the techniques of path integration. Topics include probability amplitudes for paths and the correspondence limit for the path integral; vector potentials; the Ito integral and gauge transformations; free particle and quadra
Path integrals and geometry of trajectories
International Nuclear Information System (INIS)
Blau, M.; Keski-Vakkuri, E.; Niemi, A.J.
1990-01-01
A geometrical interpretation of path integrals is developed in the space of trajectories. This yields a supersymmetric formulation of a generic path integral, with the supersymmetry resembling the BRST supersymmetry of a first class constrained system. If the classical equation of motion is a Killing vector field in the space of trajectories, the supersymmetry localizes the path integral to classical trajectories and the WKB approximation becomes exact. This can be viewed as a path integral generalization of the Duistermaat-Heckman theorem, which states the conditions for the exactness of the WKB approximation for integrals in a compact phase space. (orig.)
DEFF Research Database (Denmark)
Luckow, Kasper Søe; Păsăreanu, Corina
2014-01-01
We describe Symbolic PathFinder v7 in terms of its updated design addressing the changes of Java PathFinder v7 and of its new optimization when computing path conditions. Furthermore, we describe the Symbolic Execution Tree Extension; a newly added feature that allows for outputting the symbolic...... execution tree that characterizes the execution paths covered during symbolic execution. The new extension can be tailored to the needs of subsequent analyses/processing facilities, and we demonstrate this by presenting SPF-Visualizer, which is a tool for customizable visualization of the symbolic execution...
International Nuclear Information System (INIS)
Garrett, G.A.; Shacter, J.
1978-01-01
A gaseous diffusion system is described comprising a plurality of diffusers connected in cascade to form a series of stages, each of the diffusers having a porous partition dividing it into a high pressure chamber and a low pressure chamber, and means for combining a portion of the enriched gas from a succeeding stage with a portion of the enriched gas from the low pressure chamber of each stage and feeding it into one extremity of the high pressure chamber thereof
Inpainting using airy diffusion
Lorduy Hernandez, Sara
2015-09-01
One inpainting procedure based on Airy diffusion is proposed, implemented via Maple and applied to some digital images. Airy diffusion is a partial differential equation with spatial derivatives of third order in contrast with the usual diffusion with spatial derivatives of second order. Airy diffusion generates the Airy semigroup in terms of the Airy functions which can be rewritten in terms of Bessel functions. The Airy diffusion can be used to smooth an image with the corresponding noise elimination via convolution. Also the Airy diffusion can be used to erase objects from an image. We build an algorithm using the Maple package ImageTools and such algorithm is tested using some images. Our results using Airy diffusion are compared with the similar results using standard diffusion. We observe that Airy diffusion generates powerful filters for image processing which could be incorporated in the usual packages for image processing such as ImageJ and Photoshop. Also is interesting to consider the possibility to incorporate the Airy filters as applications for smartphones and smart-glasses.
Rahbani, Janane
2012-01-01
We study the kinetics and mechanism of intercalation and de-intercalation of small anions during the formation of crystalline α-Co(OH) 2 and its transformation to β-Co(OH) 2 within a reaction-diffusion framework. We therein use fluorescence spectroscopy with Rhodamine 6G (Rh6G) as a probe as well as other spectroscopic and imaging techniques. The method is based on the reaction and diffusion of hydroxide ions into a gel matrix containing the Co(ii) ions, the conjugate anions to be intercalated and Rh6G. The advantage of this simple method is that it allows us to separate throughout space the various stages during the formation of α-Co(OH) 2 and its transformation to β-Co(OH) 2, thus enabling fluorescence measurements of the those stages by simply focusing on different areas of the tube. It also permits us to extract with ease the solids for characterization and image analysis. The macroscopic evolution of the system, which consists of a leading blue front designating the formation of α-Co(OH) 2 followed by a sharp blue/pink interface designating the transformation to the pink β-Co(OH) 2, exhibits different dynamics depending on the anion present in the gel. At a certain stage, the blue/pink interface stops its propagation and only the blue front continues. This represents clear evidence of the dependence of the kinetics of intercalation and de-intercalation on the nature of the anion. The coexisting polymorphs were collected and characterized using XRD, FTIR, Raman and UV-Vis. The fluorescence images of the α-Co(OH) 2 reveal clearly the presence of Rh6G between its layers, whereas images from the β polymorph indicate the opposite. Moreover, the fluorescence of Rh6G is monitored during the formation of α-Co(OH) 2 and its conversion to β-Co(OH) 2. During the formation, the fluorescence intensity and lifetime are significantly increased whereas the opposite happens during the transformation to the β phase. We are able to calculate the activation energies
Revisiting the flocking transition using active spins.
Solon, A P; Tailleur, J
2013-08-16
We consider an active Ising model in which spins both diffuse and align on lattice in one and two dimensions. The diffusion is biased so that plus or minus spins hop preferably to the left or to the right, which generates a flocking transition at low temperature and high density. We construct a coarse-grained description of the model that predicts this transition to be a first-order liquid-gas transition in the temperature-density ensemble, with a critical density sent to infinity. In this first-order phase transition, the magnetization is proportional to the liquid fraction and thus varies continuously throughout the phase diagram. Using microscopic simulations, we show that this theoretical prediction holds in 2D whereas the fluctuations alter the transition in 1D, preventing, for instance, any spontaneous symmetry breaking.
The Senior Year: Culminating Experiences and Transitions
Hunter, Mary Stuart, Ed.; Keup, Jennifer R., Ed.; Kinzie, Jillian, Ed.; Maietta, Heather, Ed.
2012-01-01
Increasing pressures on colleges and universities to ensure degree completion and job placement as measures of success make it imperative that the path to graduation is clear and that seniors receive the support needed to earn a degree and make a successful transition to life beyond college. This new edited collection describes today's college…
Atmospheric transport, diffusion, and deposition of radioactivity
International Nuclear Information System (INIS)
Crawford, T.V.
1969-01-01
From a meteorological standpoint there are two types of initial sources for atmospheric diffusion from Plowshare applications. One is the continuous point-source plume - a slow, small leak from an underground engineering application. The other is the large cloud produced almost instantaneously from a cratering application. For the purposes of this paper the effluent from neither type has significant fall speed. Both are carried by the prevailing wind, but the statistics of diffusion for each type are different. The use of constant altitude, isobaric and isentropic techniques for predicting the mean path of the effluent is briefly discussed. Limited data are used to assess the accuracy of current trajectory forecast techniques. Diffusion of continuous point-source plumes has been widely studied; only a brief review is given of the technique used and the variability of their results with wind speed and atmospheric stability. A numerical model is presented for computing the diffusion of the 'instantaneously-produced' large clouds. This model accounts for vertical and diurnal changes in atmospheric turbulence, wet and dry deposition, and radioactivity decay. Airborne concentrations, cloud size, and deposition on the ground are calculated. Pre- and post-shot calculations of cloud center, ground level concentration of gross radioactivity, and dry and wet deposition of iodine-131 are compared with measurements on Cabriolet and Buggy. (author)
Flow field investigation in a bulb turbine diffuser
Pereira, M.; Duquesne, P.; Aeschlimann, V.; Deschênes, C.
2017-04-01
An important drop in turbine performances has been measured in a bulb turbine model operated at overload. Previous investigations have correlated the performance drop with diffuser losses, and particularly to the flow separation zone at the diffuser wall. The flow has been investigated in the transition part of the diffuser using two LDV measurement sections. The transition part is a diffuser section that transforms from a circular to a rectangular section. The two measurement sections are at the inlet and outlet of the diffuser transition part. The turbine has been operated at three operating points, which are representative of different flow patterns at the diffuser exit at overload. In addition to the average velocity field, the analysis is conducted based on a backflow occurrence function and on the swirl level. Results reveal a counter-rotating zone in the diffuser, which intensifies with the guide vanes opening. The guide vanes opening induces a modification of the flow phenomena: from a central backflow recirculation zone at the lowest flowrate to a backflow zone induced by flow separation at the wall at the highest flowrate.
Diffusion of hydrogen in iron oxides
International Nuclear Information System (INIS)
Bruzzoni, P.
1993-01-01
The diffusion of hydrogen in transitions metals oxides has been recently studied at room temperature through the permeability electrochemical technique. This work studies thin oxide layers grown in air or in presence of oxidizing atmospheres at temperatures up to 200 deg C. The substrate was pure iron with different superficial treatments. It was observed that these oxides reduce up to three magnitudes orders, the hydrogen stationary flux through membranes of usual thickness in comparison with iron membranes free of oxide. (Author)
Glass Membrane For Controlled Diffusion Of Gases
Shelby, James E.; Kenyon, Brian E.
2001-05-15
A glass structure for controlled permeability of gases includes a glass vessel. The glass vessel has walls and a hollow center for receiving a gas. The glass vessel contains a metal oxide dopant formed with at least one metal selected from the group consisting of transition metals and rare earth metals for controlling diffusion of the gas through the walls of the glass vessel. The vessel releases the gas through its walls upon exposure to a radiation source.
Relaxation and Diffusion in Complex Systems
Ngai, K L
2011-01-01
Relaxation and Diffusion in Complex Systems comprehensively presents a variety of experimental evidences of universal relaxation and diffusion properties in complex materials and systems. The materials discussed include liquids, glasses, colloids, polymers, rubbers, plastic crystals and aqueous mixtures, as well as carbohydrates, biomolecules, bioprotectants and pharmaceuticals. Due to the abundance of experimental data, emphasis is placed on glass-formers and the glass transition problem, a still unsolved problem in condensed matter physics and chemistry. The evidence for universal properties of relaxation and diffusion dynamics suggests that a fundamental physical law is at work. The origin of the universal properties is traced to the many-body effects of the interaction, rigorous theory of which does not exist at the present time. However, using solutions of simplified models as guides, key quantities have been identified and predictions of the universal properties generated. These predictions from Ngai’...
Reaction-Diffusion Automata Phenomenology, Localisations, Computation
Adamatzky, Andrew
2013-01-01
Reaction-diffusion and excitable media are amongst most intriguing substrates. Despite apparent simplicity of the physical processes involved the media exhibit a wide range of amazing patterns: from target and spiral waves to travelling localisations and stationary breathing patterns. These media are at the heart of most natural processes, including morphogenesis of living beings, geological formations, nervous and muscular activity, and socio-economic developments. This book explores a minimalist paradigm of studying reaction-diffusion and excitable media using locally-connected networks of finite-state machines: cellular automata and automata on proximity graphs. Cellular automata are marvellous objects per se because they show us how to generate and manage complexity using very simple rules of dynamical transitions. When combined with the reaction-diffusion paradigm the cellular automata become an essential user-friendly tool for modelling natural systems and designing future and emergent computing arch...
Gerbertian paths for the Jubilee
Sigismondi, Costantino
2015-04-01
Gerbert before becoming Pope Sylvester II came several times in Rome, as reported in his Letters and in the biography of Richerus. Eight places in Rome can be connected with Gerbertian memories. 1. The Cathedral of St. John in the Lateran where the gravestone of his tumb is still preserved near the Holy Door; 2. the “Basilica Hierusalem” (Santa Croce) where Gerbert had the stroke on May 3rd 1003 which lead him to death on May 12th; 3. the Aventine hill, with the church of the Knights of Malta in the place where the palace of the Ottonian Emperors was located; 4. the church of St. Bartholomew in the Tiber Island built in 997 under Otto III; 5. the Obelisk of Augustus in Montecitorio to remember the relationship between Gerbert, Astronomy and numbers which led the birth of the legends on Gerbert magician; 6. St. Mary Major end of the procession of August 15, 1000; 7. St. Paul outside the walls with the iconography of the Popes and 8. St. Peter's tumb end of all Romaei pilgrimages. This Gerbertian path in Rome suggests one way to accomplish the pilgrimage suggested by Pope Francis in the Bulla Misericordiae Vultus (14) of indiction of the new Jubilee.
Inked Careers: Tattooing Professional Paths
Directory of Open Access Journals (Sweden)
Gabriela DeLuca
2016-12-01
Full Text Available The concept of career has an interdisciplinary and historical constitution, which includes persons, groups, organizations and society. Given that, we aim to deepen the interactionist notion of career from the understanding of a deviant path, supported by a theory and a method appropriated to the cited call for interdisciplinary approaches. Dilemmas (Hughes, 1958 and conflicts (Hughes, 1937 emerged as important analytical categories. Although necessary, these two concepts were not sufficient to contemplate analyses in their entirety. For this reason we conceptualized a third possibility of controversy during a career: the inquiries. The study followed the Narrative method to analyze objective and subjective changes during a tattoo artist’s career through interviews and informal conversations carried out over 22 months. The discussion presents three main contributions. Theoretically, a new understanding of the concept of careers, linking past, present and future and the idea of non-linearity of experienced and envisioned careers. Methodologically, suggesting orientations for future career studies such as the use of turning points as a methodological tool and the investigation of deviant fields. Finally, our defense of the interactionist perspective as suitable for career studies, since it allows the investigation of deviant elements.
Diffusive separation of particles by diffusion in swirled turbulent flows
International Nuclear Information System (INIS)
Arbuzov, V.N.; Shiliaev, M.I.
1984-01-01
An analysis of the dynamics of turbulent flow and diffusive separation of solid particles in a centrifugal air separator (consisting of two flat disks rotating at the same angular velocity) is presented. A closed set of balances for all the components of the tensor of turbulent stresses, extended to the entire flow region, is employed in the numerical analysis of transition and turbulent air flows between the rotating disks. The analytical relationships obtained for the case of the mixed flow for the various components of the average velocity, energy of fluctuations, and turbulence level in the circumferential direction agreed well with the theoretical and experimental distributions of Bakke, et al. (1973). It is shown that at high Reynolds numbers the flow is isotropic, the dependence of the circumferential component of the average velocity obeys a power law, and the generation of the radial component is controlled by the local centrifugal field. The sharpness of particle separation was calculated by the eddy diffusion equation and was found to depend on the geometry and the operating conditions. 8 references
Cooperative Path-Planning for Multi-Vehicle Systems
Directory of Open Access Journals (Sweden)
Qichen Wang
2014-11-01
Full Text Available In this paper, we propose a collision avoidance algorithm for multi-vehicle systems, which is a common problem in many areas, including navigation and robotics. In dynamic environments, vehicles may become involved in potential collisions with each other, particularly when the vehicle density is high and the direction of travel is unrestricted. Cooperatively planning vehicle movement can effectively reduce and fairly distribute the detour inconvenience before subsequently returning vehicles to their intended paths. We present a novel method of cooperative path planning for multi-vehicle systems based on reinforcement learning to address this problem as a decision process. A dynamic system is described as a multi-dimensional space formed by vectors as states to represent all participating vehicles’ position and orientation, whilst considering the kinematic constraints of the vehicles. Actions are defined for the system to transit from one state to another. In order to select appropriate actions whilst satisfying the constraints of path smoothness, constant speed and complying with a minimum distance between vehicles, an approximate value function is iteratively developed to indicate the desirability of every state-action pair from the continuous state space and action space. The proposed scheme comprises two phases. The convergence of the value function takes place in the former learning phase, and it is then used as a path planning guideline in the subsequent action phase. This paper summarizes the concept and methodologies used to implement this online cooperative collision avoidance algorithm and presents results and analysis regarding how this cooperative scheme improves upon two baseline schemes where vehicles make movement decisions independently.
Path Player Games Analysis and Applications
Schwarze, Silvia
2008-01-01
A path player game is an innovative type of game which considers network flow problems from the viewpoint of network owners. This strategy enables modeling real-world problems and has many practical applications. This book presents an exposition of the theoretical foundations of the concept of a path player game
A Random Walk on a Circular Path
Ching, W.-K.; Lee, M. S.
2005-01-01
This short note introduces an interesting random walk on a circular path with cards of numbers. By using high school probability theory, it is proved that under some assumptions on the number of cards, the probability that a walker will return to a fixed position will tend to one as the length of the circular path tends to infinity.
Evaluation of Calcine Disposition Path Forward
International Nuclear Information System (INIS)
Birrer, S.A.; Heiser, M.B.
2003-01-01
This document describes an evaluation of the baseline and two alternative disposition paths for the final disposition of the calcine wastes stored at the Idaho Nuclear Technology and Engineering Center at the Idaho National Engineering and Environmental Laboratory. The pathways are evaluated against a prescribed set of criteria and a recommendation is made for the path forward
Cooperative organic mine avoidance path planning
McCubbin, Christopher B.; Piatko, Christine D.; Peterson, Adam V.; Donnald, Creighton R.; Cohen, David
2005-06-01
The JHU/APL Path Planning team has developed path planning techniques to look for paths that balance the utility and risk associated with different routes through a minefield. Extending on previous years' efforts, we investigated real-world Naval mine avoidance requirements and developed a tactical decision aid (TDA) that satisfies those requirements. APL has developed new mine path planning techniques using graph based and genetic algorithms which quickly produce near-minimum risk paths for complicated fitness functions incorporating risk, path length, ship kinematics, and naval doctrine. The TDA user interface, a Java Swing application that obtains data via Corba interfaces to path planning databases, allows the operator to explore a fusion of historic and in situ mine field data, control the path planner, and display the planning results. To provide a context for the minefield data, the user interface also renders data from the Digital Nautical Chart database, a database created by the National Geospatial-Intelligence Agency containing charts of the world's ports and coastal regions. This TDA has been developed in conjunction with the COMID (Cooperative Organic Mine Defense) system. This paper presents a description of the algorithms, architecture, and application produced.
The Path of Carbon in Photosynthesis VI.
Calvin, M.
1949-06-30
This paper is a compilation of the essential results of our experimental work in the determination of the path of carbon in photosynthesis. There are discussions of the dark fixation of photosynthesis and methods of separation and identification including paper chromatography and radioautography. The definition of the path of carbon in photosynthesis by the distribution of radioactivity within the compounds is described.
Development of a modelling learning path
van Buuren, O.P.M.
2014-01-01
A learning path on computational modelling, integrated into the Dutch lower secondary physics curriculum has been developed and tested in school practice. The instructional materials that have been developed cover the first two years of this curriculum. In the learning path, modelling has been
DEFF Research Database (Denmark)
Kaplan, Sigal; Prato, Carlo Giacomo
2010-01-01
A behavioural and a modelling framework are proposed for representing route choice from a path set that satisfies travellers’ spatiotemporal constraints. Within the proposed framework, travellers’ master sets are constructed by path generation, consideration sets are delimited according to spatio...... constraints are related to travellers’ socio-economic characteristics and that path choice is related to minimizing time and avoiding congestion....
Modelling of Innovation Diffusion
Directory of Open Access Journals (Sweden)
Arkadiusz Kijek
2010-01-01
Full Text Available Since the publication of the Bass model in 1969, research on the modelling of the diffusion of innovation resulted in a vast body of scientific literature consisting of articles, books, and studies of real-world applications of this model. The main objective of the diffusion model is to describe a pattern of spread of innovation among potential adopters in terms of a mathematical function of time. This paper assesses the state-of-the-art in mathematical models of innovation diffusion and procedures for estimating their parameters. Moreover, theoretical issues related to the models presented are supplemented with empirical research. The purpose of the research is to explore the extent to which the diffusion of broadband Internet users in 29 OECD countries can be adequately described by three diffusion models, i.e. the Bass model, logistic model and dynamic model. The results of this research are ambiguous and do not indicate which model best describes the diffusion pattern of broadband Internet users but in terms of the results presented, in most cases the dynamic model is inappropriate for describing the diffusion pattern. Issues related to the further development of innovation diffusion models are discussed and some recommendations are given. (original abstract
International Nuclear Information System (INIS)
Lemarechal, A.
1963-01-01
This report brings together the essential principles of thermal diffusion in the liquid and gaseous phases. The macroscopic and molecular aspects of the thermal diffusion constant are reviewed, as well as the various measurement method; the most important developments however concern the operation of the CLUSIUS and DICKEL thermo-gravitational column and its applications. (author) [fr
Diffusion Based Photon Mapping
DEFF Research Database (Denmark)
Schjøth, Lars; Olsen, Ole Fogh; Sporring, Jon
2006-01-01
. To address this problem we introduce a novel photon mapping algorithm based on nonlinear anisotropic diffusion. Our algorithm adapts according to the structure of the photon map such that smoothing occurs along edges and structures and not across. In this way we preserve the important illumination features......, while eliminating noise. We call our method diffusion based photon mapping....
Low-field mobility and carrier transport mechanism transition in nanoscale MOSFETs
International Nuclear Information System (INIS)
Liu Hongwei; Wang Runsheng; Huang Ru; Zhang Xing
2010-01-01
This paper extends the flux scattering method to study the carrier transport property in nanoscale MOSFETs with special emphasis on the low-field mobility and the transport mechanism transition. A unified analytical expression for the low-field mobility is proposed, which covers the entire regime from drift-diffusion transport to quasi-ballistic transport in 1-D, 2-D and 3-D MOSFETs. Two key parameters, namely the long-channel low-field mobility (μ 0 ) and the low-field mean free path (λ 0 ), are obtained from the experimental data, and the transport mechanism transition in MOSFETs is further discussed both experimentally and theoretically. Our work shows that λ 0 is available to characterize the inherent transition of the carrier transport mechanism rather than the low-field mobility. The mobility reduces in the MOSFET with the shrinking of the channel length; however, λ 0 is nearly a constant, and λ 0 can be used as the 'entry criterion' to determine whether the device begins to operate under quasi-ballistic transport to some extent. (semiconductor devices)
2012-07-01
Public transit agencies have employed intelligent systems for determining : schedules and routes and for monitoring the real-time location and status of their : vehicle fleets for nearly two decades. But until recently, the data generated by : daily ...
DEFF Research Database (Denmark)
Zhang, Chen
Diffuse ceiling ventilation is an innovative ventilation concept where the suspended ceiling serves as air diffuser to supply fresh air into the room. Compared with conventional ventilation systems, diffuse ceiling ventilation can significantly reduce or even eliminate draught risk due to the low...... momentum supply. In addition, this ventilation system uses a ceiling plenum to deliver air and requires less energy consumption for air transport than full-ducted systems. There is a growing interest in applying diffuse ceiling ventilation in offices and other commercial buildings due to the benefits from...... both thermal comfort and energy efficient aspects. The present study aims to characterize the air distribution and thermal comfort in the rooms with diffuse ceiling ventilation. Both the stand-alone ventilation system and its integration with a radiant ceiling system are investigated. This study also...
Michaud, Georges; Richer, Jacques
2015-01-01
This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling. In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...
DEFF Research Database (Denmark)
Pries-Heje, Jan; Baskerville, Richard
2014-01-01
resulting from the design were two-day training workshops conceptually anchored to TBP. The design theory was evaluated through execution of eight diffusion workshops involving three different groups in the same company. The findings indicate that the match between the practice and the context materialized...... in the successful techniques in one context. While the value for other contexts is unproven, knowledge of best practices circulates under an assumption that the practices will usefully self-diffuse through innovation and adoption in other contexts. We study diffusion of best practices using a design science...... approach. The study context is a design case in which an organization desires to diffuse its best practices across different groups. The design goal is embodied in organizational mechanisms to achieve this diffusion. The study used Theory of Planned Behavior (TPB) as a kernel theory. The artifacts...
Degenerate nonlinear diffusion equations
Favini, Angelo
2012-01-01
The aim of these notes is to include in a uniform presentation style several topics related to the theory of degenerate nonlinear diffusion equations, treated in the mathematical framework of evolution equations with multivalued m-accretive operators in Hilbert spaces. The problems concern nonlinear parabolic equations involving two cases of degeneracy. More precisely, one case is due to the vanishing of the time derivative coefficient and the other is provided by the vanishing of the diffusion coefficient on subsets of positive measure of the domain. From the mathematical point of view the results presented in these notes can be considered as general results in the theory of degenerate nonlinear diffusion equations. However, this work does not seek to present an exhaustive study of degenerate diffusion equations, but rather to emphasize some rigorous and efficient techniques for approaching various problems involving degenerate nonlinear diffusion equations, such as well-posedness, periodic solutions, asympt...
Optimization of educational paths for higher education
Tarasyev, Alexandr A.; Agarkov, Gavriil; Medvedev, Aleksandr
2017-11-01
In our research, we combine the theory of economic behavior and the methodology of increasing efficiency of the human capital to estimate the optimal educational paths. We provide an optimization model for higher education process to analyze possible educational paths for each rational individual. The preferences of each rational individual are compared to the best economically possible educational path. The main factor of the individual choice, which is formed by the formation of optimal educational path, deals with higher salaries level in the chosen economic sector after graduation. Another factor that influences on the economic profit is the reduction of educational costs or the possibility of the budget support for the student. The main outcome of this research consists in correction of the governmental policy of investment in human capital based on the results of educational paths optimal control.
Cherniak, D. J.; Zhang, X. Y.; Nakamura, M.; Watson, E. B.
2004-09-01
We report measurements of oxygen diffusion in natural monazites under both dry, 1-atm conditions and hydrothermal conditions. For dry experiments, 18O-enriched CePO4 powder and monazite crystals were sealed in Ag-Pd capsules with a solid buffer (to buffer at NNO) and annealed in 1-atm furnaces. Hydrothermal runs were conducted in cold-seal pressure vessels, where monazite grains were encapsulated with 18O-enriched water. Following the diffusion anneals, oxygen concentration profiles were measured with Nuclear Reaction Analysis (NRA) using the reaction 18O(p,α)15N. Over the temperature range 850-1100 °C, the Arrhenius relation determined for dry diffusion experiments on monazite is given by: Under wet conditions at 100 MPa water pressure, over the temperature range 700-880 °C, oxygen diffusion can be described by the Arrhenius relationship: Oxygen diffusion under hydrothermal conditions has a significantly lower activation energy for diffusion than under dry conditions, as has been found the case for many other minerals, both silicate and nonsilicate. Given these differences in activation energies, the differences between dry and wet diffusion rates increase with lower temperatures; for example, at 600 °C, dry diffusion will be more than 4 orders of magnitude slower than diffusion under hydrothermal conditions. These disparate diffusivities will result in pronounced differences in the degree of retentivity of oxygen isotope signatures. For instance, under dry conditions (presumably rare in the crust) and high lower-crustal temperatures (∼800 °C), monazite cores of 70-μm radii will preserve O isotope ratios for about 500,000 years; by comparison, they would be retained at this temperature under wet conditions for about 15,000 years.
Feynman-Kac equations for reaction and diffusion processes
Hou, Ru; Deng, Weihua
2018-04-01
This paper provides a theoretical framework for deriving the forward and backward Feynman-Kac equations for the distribution of functionals of the path of a particle undergoing both diffusion and reaction processes. Once given the diffusion type and reaction rate, a specific forward or backward Feynman-Kac equation can be obtained. The results in this paper include those for normal/anomalous diffusions and reactions with linear/nonlinear rates. Using the derived equations, we apply our findings to compute some physical (experimentally measurable) statistics, including the occupation time in half-space, the first passage time, and the occupation time in half-interval with an absorbing or reflecting boundary, for the physical system with anomalous diffusion and spontaneous evanescence.
Neutron transport and diffusion in inhomogeneous media. I
International Nuclear Information System (INIS)
Larsen, E.W.
1975-01-01
The asymptotic solution of the neutron transport equation is obtained for large near-critical domains D which possess a cellular, nearly periodic structure. A typical mean free path in D is taken to be of the same order of magnitude as a cell diameter, and these are taken to be small (of order epsilon) compared to a typical diameter of D. The solution is asymptotic with respect to the small parameter epsilon. It is a product of two functions, one determined by a detailed cell calculation and the other obtained as the solution of a time dependent diffusion equation. The diffusion equation contains precursor (delayed neutron) densities, equations for which are derived. The coefficients in the diffusion equation, which are determined using the results of the cell calculation, differ from those now used in engineering applications. The initial condition for the diffusion equation is derived, and the problem of determining the boundary condition is discussed
Fast and direct detection of neuronal activation with diffusion MRI
International Nuclear Information System (INIS)
Le Bihan, D.; Urayama, S.; Aso, T.; Hanakawa, T.; Fukuyama, H.
2006-01-01
conditions or in the presence of drugs. Also, it has been pointed out that the spatial functional resolution of vascular based functional neuroimaging might be limited, because vessels responsible for the increase of blood flow and blood volume feed or drain somewhat large territories which include clusters of neurons with potentially different functions. Similarly the physiological delay necessary for the mechanisms triggering the vascular response to work intrinsically limits the temporal resolution of BOLD f MRI. On the other hand, a fundamentally new paradigm is being proposed to look at brain activity through the observation with MRI of the diffusion behavior of the water molecules. It has been shown that the diffusion of water slightly slows down during brain activation. This slowdown, which occurs several seconds before the hemodynamic response detected by BOLD f MRI, has been described in terms of a phase transition of the water molecules in the cells undergoing activation and tentatively attributed to the swelling of those cells. This finding marks a significant departure from the former blood flow based PET and MRI approaches, and potentially offers improved spatial and temporal resolution, because the proposed mechanism appears more intimately linked to neuronal activation. However, the step might even extend further: Contrarily to the former approaches based on changes in artificially induced water physical properties, namely radioactivity and magnetization, required for the external PET or MR I detection, the new, diffusion based approach, merely uses MRI as a means to reveal changes in intrinsic water physical properties. These changes in the diffusion behaviour of water during activation seem to belong to an endogenous part of the activation process, and perhaps even more, could be an active component of this process that evolution has capitalized upon. The aim of this presentation is to review our current knowledge on the water physical properties i n
Path integration: effect of curved path complexity and sensory system on blindfolded walking.
Koutakis, Panagiotis; Mukherjee, Mukul; Vallabhajosula, Srikant; Blanke, Daniel J; Stergiou, Nicholas
2013-02-01
Path integration refers to the ability to integrate continuous information of the direction and distance traveled by the system relative to the origin. Previous studies have investigated path integration through blindfolded walking along simple paths such as straight line and triangles. However, limited knowledge exists regarding the role of path complexity in path integration. Moreover, little is known about how information from different sensory input systems (like vision and proprioception) contributes to accurate path integration. The purpose of the current study was to investigate how sensory information and curved path complexity affect path integration. Forty blindfolded participants had to accurately reproduce a curved path and return to the origin. They were divided into four groups that differed in the curved path, circle (simple) or figure-eight (complex), and received either visual (previously seen) or proprioceptive (previously guided) information about the path before they reproduced it. The dependent variables used were average trajectory error, walking speed, and distance traveled. The results indicated that (a) both groups that walked on a circular path and both groups that received visual information produced greater accuracy in reproducing the path. Moreover, the performance of the group that received proprioceptive information and later walked on a figure-eight path was less accurate than their corresponding circular group. The groups that had the visual information also walked faster compared to the group that had proprioceptive information. Results of the current study highlight the roles of different sensory inputs while performing blindfolded walking for path integration. Copyright © 2012 Elsevier B.V. All rights reserved.
Thakkar, Balmukund S; Svendsen, John-Sigurd M; Engh, Richard A
2017-09-14
Cis/trans isomerization of 2°-amide bonds is a key step in a wide range of important processes. Here we present a theoretical assessment of cis/trans isomerization of 2°-amide bonds using B3LYP density functional methods, describing two reaction paths and corresponding geometry changes during isomerization of N-methylacetamide (NMA) and glycylglycine methyl ester (GGMe). The isomerization begins via a common path, as the extended π-bonding of the amide bond maintains approximate planarity of the O-C-N-H dihedral angle, with only gradually increasing pyramidalization of the nitrogen atom, until a bifurcation point is reached. Both subsequent paths comprise two phases, an "ω phase" (characterized by a major change in C-C-N-C dihedral) and a "θ phase" (characterized by major change in O-C-N-H dihedral), with two distinct transition states. The θ phase involves inversion of the pyramidal amide-nitrogen geometry. Both reaction paths converge at another bifurcation point near the opposite geometry. Studies on the larger GGMe show in addition that the multiple additional rotamers do not change the qualitative properties of the isomerization, but do affect the energies of the differing transition states. These detailed results provide significant new insights into cis/trans isomerization paths in 2°-amides, and serve as a basis for theoretical studies on larger peptidic systems.
Training shortest-path tractography: Automatic learning of spatial priors
DEFF Research Database (Denmark)
Kasenburg, Niklas; Liptrot, Matthew George; Reislev, Nina Linde
2016-01-01
knowledge. Here we demonstrate how such prior knowledge, or indeed any prior spatial information, can be automatically incorporated into a shortest-path tractography approach to produce more robust results. We describe how such a prior can be automatically generated (learned) from a population, and we......Tractography is the standard tool for automatic delineation of white matter tracts from diffusion weighted images. However, the output of tractography often requires post-processing to remove false positives and ensure a robust delineation of the studied tract, and this demands expert prior...... demonstrate that our framework also retains support for conventional interactive constraints such as waypoint regions. We apply our approach to the open access, high quality Human Connectome Project data, as well as a dataset acquired on a typical clinical scanner. Our results show that the use of a learned...
Fayyaz S., S. Kiavash; Liu, Xiaoyue Cathy; Zhang, Guohui
2017-01-01
The social functions of urbanized areas are highly dependent on and supported by the convenient access to public transportation systems, particularly for the less privileged populations who have restrained auto ownership. To accurately evaluate the public transit accessibility, it is critical to capture the spatiotemporal variation of transit services. This can be achieved by measuring the shortest paths or minimum travel time between origin-destination (OD) pairs at each time-of-day (e.g. ev...
Multi-AGV path planning with double-path constraints by using an improved genetic algorithm.
Han, Zengliang; Wang, Dongqing; Liu, Feng; Zhao, Zhiyong
2017-01-01
This paper investigates an improved genetic algorithm on multiple automated guided vehicle (multi-AGV) path planning. The innovations embody in two aspects. First, three-exchange crossover heuristic operators are used to produce more optimal offsprings for getting more information than with the traditional two-exchange crossover heuristic operators in the improved genetic algorithm. Second, double-path constraints of both minimizing the total path distance of all AGVs and minimizing single path distances of each AGV are exerted, gaining the optimal shortest total path distance. The simulation results show that the total path distance of all AGVs and the longest single AGV path distance are shortened by using the improved genetic algorithm.
Multi-AGV path planning with double-path constraints by using an improved genetic algorithm.
Directory of Open Access Journals (Sweden)
Zengliang Han
Full Text Available This paper investigates an improved genetic algorithm on multiple automated guided vehicle (multi-AGV path planning. The innovations embody in two aspects. First, three-exchange crossover heuristic operators are used to produce more optimal offsprings for getting more information than with the traditional two-exchange crossover heuristic operators in the improved genetic algorithm. Second, double-path constraints of both minimizing the total path distance of all AGVs and minimizing single path distances of each AGV are exerted, gaining the optimal shortest total path distance. The simulation results show that the total path distance of all AGVs and the longest single AGV path distance are shortened by using the improved genetic algorithm.
Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate
Good, Brian S.
2015-01-01
Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the transport of oxygen and water vapor through these coatings to the ceramic substrate is undesirable if high temperature oxidation is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated and interstitial oxygen diffusion in Ytterbium disilicate. Oxygen vacancy and interstitial site energies, vacancy and interstitial formation energies, and migration barrier energies were computed using Density Functional Theory. We have found that, in the case of vacancy-mediated diffusion, many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small. In the case of interstitial diffusion, migration barrier energies are typically around one electron volt, but the interstitial defect formation energies are positive, with the result that the disilicate is unlikely to exhibit experience significant oxygen permeability except at very high temperature.
A path to precision in the ICU.
Maslove, David M; Lamontagne, Francois; Marshall, John C; Heyland, Daren K
2017-04-03
Precision medicine is increasingly touted as a groundbreaking new paradigm in biomedicine. In the ICU, the complexity and ambiguity of critical illness syndromes have been identified as fundamental justifications for the adoption of a precision approach to research and practice. Inherently protean diseases states such as sepsis and acute respiratory distress syndrome have manifestations that are physiologically and anatomically diffuse, and that fluctuate over short periods of time. This leads to considerable heterogeneity among patients, and conditions in which a "one size fits all" approach to therapy can lead to widely divergent results. Current ICU therapy can thus be seen as imprecise, with the potential to realize substantial gains from the adoption of precision medicine approaches. A number of challenges still face the development and adoption of precision critical care, a transition that may occur incrementally rather than wholesale. This article describes a few concrete approaches to addressing these challenges.First, novel clinical trial designs, including registry randomized controlled trials and platform trials, suggest ways in which conventional trials can be adapted to better accommodate the physiologic heterogeneity of critical illness. Second, beyond the "omics" technologies already synonymous with precision medicine, the data-rich environment of the ICU can generate complex physiologic signatures that could fuel precision-minded research and practice. Third, the role of computing infrastructure and modern informatics methods will be central to the pursuit of precision medicine in the ICU, necessitating close collaboration with data scientists. As work toward precision critical care continues, small proof-of-concept studies may prove useful in highlighting the potential of this approach.
Generating a Simulated Fluid Flow over a Surface Using Anisotropic Diffusion
Rodriguez, David L. (Inventor); Sturdza, Peter (Inventor)
2016-01-01
A fluid-flow simulation over a computer-generated surface is generated using a diffusion technique. The surface is comprised of a surface mesh of polygons. A boundary-layer fluid property is obtained for a subset of the polygons of the surface mesh. A gradient vector is determined for a selected polygon, the selected polygon belonging to the surface mesh but not one of the subset of polygons. A maximum and minimum diffusion rate is determined along directions determined using the gradient vector corresponding to the selected polygon. A diffusion-path vector is defined between a point in the selected polygon and a neighboring point in a neighboring polygon. An updated fluid property is determined for the selected polygon using a variable diffusion rate, the variable diffusion rate based on the minimum diffusion rate, maximum diffusion rate, and the gradient vector.
Ozawa, Sachiko; Singh, Suneeta; Singh, Kriti; Chhabra, Vibha; Bennett, Sara
2016-01-01
With declines in development assistance for health and growing interest in country ownership, donors are increasingly faced with the task of transitioning health programs to local actors towards a path to sustainability. Yet there is little available guidance on how to measure and evaluate the success of a transition and its subsequent effects. This study assesses the transition of the Avahan HIV/AIDS prevention program in India to investigate how preparations for transition affected continuation of program activities post-transition. Two rounds of two surveys were conducted and supplemented by data from government and Avahan Computerized Management Information Systems (CMIS). Exploratory factor analysis was used to develop two measures: 1) transition readiness pre-transition, and 2) institutionalization (i.e. integration of initial program systems into organizational procedures and behaviors) post-transition. A fixed effects model was built to examine changes in key program delivery outcomes over time. An ordinary least square regression was used to assess the relationship between transition readiness and sustainability of service outcomes both directly, and indirectly through institutionalization. Transition readiness data revealed 3 factors (capacity, alignment and communication), on a 15-item scale with adequate internal consistency (alpha 0.73). Institutionalization was modeled as a unidimensional construct, and a 12-item scale demonstrated moderate internal consistency (alpha 0.60). Coverage of key populations and condom distribution were sustained compared to pre-transition levels (pinstitutionalization, predicted sustained outcomes post-transition. Transition readiness did not necessarily lead to institutionalization of key program elements one year after transition. Greater preparedness prior to transition is important to achieve better service delivery outcomes post-transition. This paper illustrates a methodology to measure transition readiness pre-transition
International Nuclear Information System (INIS)
Black, J.H.
1987-01-01
The author defines and discusses the nature of diffuse interstellar clouds. He discusses how they contribute to the general extinction of starlight. The atomic and molecular species that have been identified in the ultraviolet, visible, and near infrared regions of the spectrum of a diffuse cloud are presented. The author illustrates some of the practical considerations that affect absorption line observations of interstellar atoms and molecules. Various aspects of the theoretical description of diffuse clouds required for a full interpretation of the observations are discussed
International Nuclear Information System (INIS)
Mundy, J.N.; Rothman, S.J.; Lam, N.Q.; Nowicki, L.J.; Hoff, H.A.
1978-01-01
The lack of understanding of self-diffusion in Group VI metals together with the wide scatter in the measured values of tungsten self-diffusion has prompted the present measurements to be made over a wide temperature range (1/2Tsub(m) to Tsub(m)). The diffusion coefficients have been measured in the temperature range 1430-2630 0 C. The present measurements show non-linear Arrhenius behavior but a reliable two-exponential fit of the data should await further measurements. (Auth.)
DEFF Research Database (Denmark)
Zhang, Chen; Yu, Tao; Heiselberg, Per Kvols
-cooling period and night cooling potential. The investment cost of this ventilation system is about 5-10% lower than the conventional ones, because the acoustic ceiling could be directly applied as air diffuser and the use of plenum to distribute air reduces the cost of ductwork. There is a growing interest...... in applying diffuse ceiling ventilation in offices and other commercial buildings because of the benefits from both thermal comfort and energy efficiency aspects. The design guide introduces the principle and key characteristics of room air distribution with diffuse ceiling ventilation and the design...
DEFF Research Database (Denmark)
Zhang, Chen; Yu, Tao; Heiselberg, Per Kvols
-cooling period and night cooling potential. The investment cost of this ventilation system is about 5-10% lower than the conventional ones, because the acoustic ceiling could be directly applied as air diffuser and the use of plenum to distribute air reduces the cost of ductwork. There is a growing interest...... and manufacturers and the users of diffuse ceiling technology. The design guide introduces the principle and key characteristics of room air distribution with diffuse ceiling ventilation. It provides an overview of potential benefit and limitations of this technology. The benefits include high thermal comfort, high...
Ergodicity and slow diffusion in a supercooled liquid
Bidhoodi, Neeta; Das, Shankar P.
2015-01-01
A model for the slow dynamics of the supercooled liquid is formulated in terms of the standard equations of fluctuating nonlinear hydrodynamics (FNH) with the inclusion of an extra diffusive mode for the collective density fluctuations. If the compressible nature of the liquid is completely ignored, this diffusive mode sets the longest relaxation times in the supercooled state and smooths off a possible sharp ergodicity-nonergodicity (ENE) transition predicted in a mode coupling theory. The s...
Magnetic diffuse scattering: a theorist`s perspective
Energy Technology Data Exchange (ETDEWEB)
Long, M.W. [Birmingham Univ., School of Physics, Birmingham (United Kingdom)
1996-11-01
We attempt to show that magnetic diffuse scattering is the natural probe for frustrated antiferromagnetism. Comparison between nuclear and magnetic diffuse scattering compares the range of atomic clustering with the range of the magnetic impurity. At low temperature frustration is expected to lead to large differences which are a natural signature for the relevance of such frustration effects. We provide some elementary examples in first-row transition metals which display fairly dramatic effects. (author) 11 figs., tabs., 8 refs.
Dissociable cognitive mechanisms underlying human path integration.
Wiener, Jan M; Berthoz, Alain; Wolbers, Thomas
2011-01-01
Path integration is a fundamental mechanism of spatial navigation. In non-human species, it is assumed to be an online process in which a homing vector is updated continuously during an outward journey. In contrast, human path integration has been conceptualized as a configural process in which travelers store working memory representations of path segments, with the computation of a homing vector only occurring when required. To resolve this apparent discrepancy, we tested whether humans can employ different path integration strategies in the same task. Using a triangle completion paradigm, participants were instructed either to continuously update the start position during locomotion (continuous strategy) or to remember the shape of the outbound path and to calculate home vectors on basis of this representation (configural strategy). While overall homing accuracy was superior in the configural condition, participants were quicker to respond during continuous updating, strongly suggesting that homing vectors were computed online. Corroborating these findings, we observed reliable differences in head orientation during the outbound path: when participants applied the continuous updating strategy, the head deviated significantly from straight ahead in direction of the start place, which can be interpreted as a continuous motor expression of the homing vector. Head orientation-a novel online measure for path integration-can thus inform about the underlying updating mechanism already during locomotion. In addition to demonstrating that humans can employ different cognitive strategies during path integration, our two-systems view helps to resolve recent controversies regarding the role of the medial temporal lobe in human path integration.
Theories on diffusion of technology
DEFF Research Database (Denmark)
Munch, Birgitte
Tracing the body of the diffusion proces by analysing the diffusion process from historical, sociological, economic and technical approaches. Discussing central characteristics of the proces of diffusion og CAD/CAM in Denmark....
The path integral model of D-pairing for HTSC, heavy fermion superconductors, and superfluids
International Nuclear Information System (INIS)
Brusov, P.N.; Brusova, N.P.
1996-01-01
A model of d-pairing for superconducting and superfluid Fermi-systems has been formulated within the path integration technique. By path integration over open-quote fastclose quotes and open-quotes slowclose quotes Fermi-fields, the action functional (which determines all properties of model system) has been obtained. This functional could be used for the determination of different superconducting (superfluid) states, for calculation of the transition temperatures for these states, and for the calculation of the collective mode spectrum for HTSC, as well as for heavy fermion superconductors
Path-Goal Theory of Leadership
1975-04-01
Leadership and Turnover Among Managers ," Organization Behavior and Human Performance, 10(1973), pp. 184-200; R. J. House, "A Path-Goal Theory of...of Leadership ." 6R. J. House and G. Dessler, "Path-Goal Theory of Leadership " R. M. Stqg- dill. Managers , Employees, Organization (Ohio State...of Control." 23 R. J. House, "Notes on the Path-Goal Theory of Leadership " (University of Toronto, Faculty of Management Studies, May 1974). 24 R
Integrated robust controller for vehicle path following
International Nuclear Information System (INIS)
Mashadi, Behrooz; Ahmadizadeh, Pouyan; Majidi, Majid; Mahmoodi-Kaleybar, Mehdi
2015-01-01
The design of an integrated 4WS+DYC control system to guide a vehicle on a desired path is presented. The lateral dynamics of the path follower vehicle is formulated by considering important parameters. To reduce the effect of uncertainties in vehicle parameters, a robust controller is designed based on a μ-synthesis approach. Numerical simulations are performed using a nonlinear vehicle model in MATLAB environment in order to investigate the effectiveness of the designed controller. Results of simulations show that the controller has a profound ability to making the vehicle track the desired path in the presence of uncertainties
Integrated robust controller for vehicle path following
Energy Technology Data Exchange (ETDEWEB)
Mashadi, Behrooz; Ahmadizadeh, Pouyan, E-mail: p-ahmadizadeh@iust.ac.ir; Majidi, Majid, E-mail: m-majidi@iust.ac.ir [Iran University of Science and Technology, School of Automotive Engineering (Iran, Islamic Republic of); Mahmoodi-Kaleybar, Mehdi, E-mail: m-mahmoodi-k@iust.ac.ir [Iran University of Science and Technology, School of Mechanical Engineering (Iran, Islamic Republic of)
2015-02-15
The design of an integrated 4WS+DYC control system to guide a vehicle on a desired path is presented. The lateral dynamics of the path follower vehicle is formulated by considering important parameters. To reduce the effect of uncertainties in vehicle parameters, a robust controller is designed based on a μ-synthesis approach. Numerical simulations are performed using a nonlinear vehicle model in MATLAB environment in order to investigate the effectiveness of the designed controller. Results of simulations show that the controller has a profound ability to making the vehicle track the desired path in the presence of uncertainties.
Continuous quantum phase transitions
Energy Technology Data Exchange (ETDEWEB)
Sondhi, S.L. [Department of Physics, Princeton University, Princeton, New Jersey 08544 (United States); Girvin, S.M.; Carini, J.P. [Department of Physics, Indiana University, Bloomington, Indiana 47405 (United States); Shahar, D. [Department of Electrical Engineering, Princeton University, Princeton, New Jersey 08544 (United States)
1997-01-01
A quantum system can undergo a continuous phase transition at the absolute zero of temperature as some parameter entering its Hamiltonian is varied. These transitions are particularly interesting for, in contrast to their classical finite-temperature counterparts, their dynamic and static critical behaviors are intimately intertwined. Considerable insight is gained by considering the path-integral description of the quantum statistical mechanics of such systems, which takes the form of the {ital classical} statistical mechanics of a system in which time appears as an extra dimension. In particular, this allows the deduction of scaling forms for the finite-temperature behavior, which turns out to be described by the theory of finite-size scaling. It also leads naturally to the notion of a temperature-dependent dephasing length that governs the crossover between quantum and classical fluctuations. Using these ideas, a scaling analysis of experiments on Josephson-junction arrays and quantum-Hall-effect systems is presented. {copyright} {ital 1997} {ital The American Physical Society}
A symbolic shortest path algorithm for computing subgame-perfect Nash equilibria
Directory of Open Access Journals (Sweden)
Góngora Pedro A.
2015-09-01
Full Text Available Consider games where players wish to minimize the cost to reach some state. A subgame-perfect Nash equilibrium can be regarded as a collection of optimal paths on such games. Similarly, the well-known state-labeling algorithm used in model checking can be viewed as computing optimal paths on a Kripke structure, where each path has a minimum number of transitions. We exploit these similarities in a common generalization of extensive games and Kripke structures that we name “graph games”. By extending the Bellman-Ford algorithm for computing shortest paths, we obtain a model-checking algorithm for graph games with respect to formulas in an appropriate logic. Hence, when given a certain formula, our model-checking algorithm computes the subgame-perfect Nash equilibrium (as opposed to simply determining whether or not a given collection of paths is a Nash equilibrium. Next, we develop a symbolic version of our model checker allowing us to handle larger graph games. We illustrate our formalism on the critical-path method as well as games with perfect information. Finally, we report on the execution time of benchmarks of an implementation of our algorithms
International Nuclear Information System (INIS)
Brzoska, A.M.; Lenz, F.; Thies, M.; Negele, J.W.
2005-01-01
A phenomenological analysis of the distribution of Wilson loops in SU(2) Yang-Mills theory is presented in which Wilson loop distributions are described as the result of a diffusion process on the group manifold. It is shown that, in the absence of forces, diffusion implies Casimir scaling and, conversely, exact Casimir scaling implies free diffusion. Screening processes occur if diffusion takes place in a potential. The crucial distinction between screening of fundamental and adjoint loops is formulated as a symmetry property related to the center symmetry of the underlying gauge theory. The results are expressed in terms of an effective Wilson loop action and compared with various limits of SU(2) Yang-Mills theory
Peppin, Stephen S. L.
2009-01-01
Diffusion and permeation are discussed within the context of irreversible thermodynamics. A new expression for the generalized Stokes-Einstein equation is obtained which links the permeability to the diffusivity of a two-component solution and contains the poroelastic Biot-Willis coefficient. The theory is illustrated by predicting the concentration and pressure profiles during the filtration of a protein solution. At low concentrations the proteins diffuse independently while at higher concentrations they form a nearly rigid porous glass through which the fluid permeates. The theoretically determined pressure drop is nonlinear in the diffusion regime and linear in the permeation regime, in quantitative agreement with experimental measurements. © 2009 Walter de Gruyter, Berlin, New York.
Grussu, Francesco; Ning, Lipeng; Tax, Chantal; Veraart, Jelle
2018-01-01
This volume presents the latest developments in the highly active and rapidly growing field of diffusion MRI. The reader will find numerous contributions covering a broad range of topics, from the mathematical foundations of the diffusion process and signal generation, to new computational methods and estimation techniques for the in-vivo recovery of microstructural and connectivity features, as well as frontline applications in neuroscience research and clinical practice. These proceedings contain the papers presented at the 2017 MICCAI Workshop on Computational Diffusion MRI (CDMRI’17) held in Québec, Canada on September 10, 2017, sharing new perspectives on the most recent research challenges for those currently working in the field, but also offering a valuable starting point for anyone interested in learning computational techniques in diffusion MRI. This book includes rigorous mathematical derivations, a large number of rich, full-colour visualisations and clinically relevant results. As such, it wil...
Isomorphism, Diffusion and Decoupling
DEFF Research Database (Denmark)
Boxenbaum, Eva; Jonsson, Stefan
2017-01-01
This chapter traces the evolution of the core theoretical constructs of isomorphism, decoupling and diffusion in organizational institutionalism. We first review the original theoretical formulations of these constructs and then examine their evolution in empirical research conducted over the past...
Ionic diffusion in quartz studied by transport measurements, SIMS and atomistic simulations
International Nuclear Information System (INIS)
Sartbaeva, Asel; Wells, Stephen A; Redfern, Simon A T; Hinton, Richard W; Reed, Stephen J B
2005-01-01
Ionic diffusion in the quartz-β-eucryptite system is studied by DC transport measurements, SIMS and atomistic simulations. Transport data show a large transient increase in ionic current at the α-β phase transition of quartz (the Hedvall effect). The SIMS data indicate two diffusion processes, one involving rapid Li + motion and the other involving penetration of Al and Li atoms into quartz at the phase transition. Atomistic simulations explain why the fine microstructure of twin domain walls in quartz near the transition does not hinder Li + diffusion
2017-02-01
RESILIENT DIFFUSIVE CLOUDS TRUSTEES OF DARTMOUTH COLLEGE FEBRUARY 2017 FINAL TECHNICAL REPORT APPROVED FOR PUBLIC...To) SEP 2011 – SEP 2016 4. TITLE AND SUBTITLE RESILIENT DIFFUSIVE CLOUDS 5a. CONTRACT NUMBER FA8750-11-2-0257 5b. GRANT NUMBER N/A 5c. PROGRAM...diversified virtual machines. The concepts lead to a view of cloud computing in which vulnerabilities are different at every host, attackers cannot
Solar Transportation, on the critical path to 100% Renewables
Swenson, R.; Furman, B.
2016-12-01
The path from hydrocarbons and climate change to 100% renewable energy requires a complete transformation of human mobility systems—from oil to solar electricity, and away from personal cars to shared transit. Electric (and autonomous) personal vehicles cannot scale rapidly enough to address CO2 increase and resource depletion. While atmospheric science can characterize the challenge, design science aimed at order of magnitude improvements in energy and resource consumption is needed to achieve carbon free transit that can scale rapidly for urban mobility. An NGO and University engineering team collaboration has led to a multi-disciplinary international program creating prototypes and test tracks to demonstrate the efficacy and economics of solar-powered, automated, non-stop origin-to-destination, elevated on-demand transit systems. With their aptitude for innovation, students in the Solar Skyways challenge have convened from several countries in order to propel development and overcome resistance from the automotive industry incumbency. Innovation has been occurring in lesser developed countries as well as in the industrialized world. An online curriculum has been developed and will be presented to encourage international participation and rapid acceleration for sustainable zero-net-carbon transportation.
Reaction diffusion voronoi diagrams: from sensors data to computing
Czech Academy of Sciences Publication Activity Database
Vázquez-Otero, Alejandro (ed.); Faigl, J.; Dormido, R.; Duro, N.
2015-01-01
Roč. 15, č. 6 (2015), s. 12736-12764 ISSN 1424-8220 R&D Projects: GA MŠk ED1.1.00/02.0061 Grant - others:ELI Beamlines(XE) CZ.1.05/1.1.00/02.0061 Institutional support: RVO:68378271 Keywords : reaction diffusion * FitzHugh–Nagumo * path planning * navigation * exploration Subject RIV: BD - Theory of Information Impact factor: 2.033, year: 2015
Leaky-box approximation to the fractional diffusion model
International Nuclear Information System (INIS)
Uchaikin, V V; Sibatov, R T; Saenko, V V
2013-01-01
Two models based on fractional differential equations for galactic cosmic ray diffusion are applied to the leaky-box approximation. One of them (Lagutin-Uchaikin, 2000) assumes a finite mean free path of cosmic ray particles, another one (Lagutin-Tyumentsev, 2004) uses distribution with infinite mean distance between collision with magnetic clouds, when the trajectories have form close to ballistic. Calculations demonstrate that involving boundary conditions is incompatible with spatial distributions given by the second model.
Advanced manufacturing: Technology diffusion
Energy Technology Data Exchange (ETDEWEB)
Tesar, A.
1995-12-01
In this paper we examine how manufacturing technology diffuses rom the developers of technology across national borders to those who do not have the capability or resources to develop advanced technology on their own. None of the wide variety of technology diffusion mechanisms discussed in this paper are new, yet the opportunities to apply these mechanisms are growing. A dramatic increase in technology diffusion occurred over the last decade. The two major trends which probably drive this increase are a worldwide inclination towards ``freer`` markets and diminishing isolation. Technology is most rapidly diffusing from the US In fact, the US is supplying technology for the rest of the world. The value of the technology supplied by the US more than doubled from 1985 to 1992 (see the Introduction for details). History shows us that technology diffusion is inevitable. It is the rates at which technologies diffuse to other countries which can vary considerably. Manufacturers in these countries are increasingly able to absorb technology. Their manufacturing efficiency is expected to progress as technology becomes increasingly available and utilized.
Martin, Michael A.; Nettles, Mindy
2015-01-01
The propellant tanks used in liquid rockets require pressurization gases in order to maintain tank pressure while the tanks are being drained during engine operation. The pressurization gas, which is typically much warmer than the relatively cold propellants in the tank, must be introduced into the empty ullage space at the top of the tank. The purpose of the diffuser is to control the flow of the gas into the tank in order to prevent direct impingement of the gas on the liquid surface and/or the tank walls. If the diffuser did not perform those tasks, the warm gas can create excess heat transfer causing an increase in the amount of pressurization mass required. Typical diffusers are long vertical cylinders that create a large exit area in order to minimize gas velocities. However, long vertical cylinders limit the amount of liquid that can be loaded into the tank in order not to have the liquid surface near the diffuser. A design goal for a pressurization diffuser is to create uniform flow in order to prevent jets that can impact the liquid surface and/or tank walls. The purpose of the task was to create a diffuser design that had a lower vertical profile (in order to be able to raise the liquid surface) while still maintaining uniform flow.
Northern Pintail - Flight Path Telemetry [ds117
California Department of Resources — North-south flight paths of radio-tagged female northern pintails were monitored in a section of Highway 152 near Los Banos, California during 4 and 11 November and...
Modeling and Solving the Train Pathing Problem
Directory of Open Access Journals (Sweden)
Chuen-Yih Chen
2009-04-01
Full Text Available In a railroad system, train pathing is concerned with the assignment of trains to links and tracks, and train timetabling allocates time slots to trains. In this paper, we present an optimization heuristic to solve the train pathing and timetabling problem. This heuristic allows the dwell time of trains in a station or link to be dependent on the assigned tracks. It also allows the minimum clearance time between the trains to depend on their relative status. The heuristic generates a number of alternative paths for each train service in the initialization phase. Then it uses a neighborhood search approach to find good feasible combinations of these paths. A linear program is developed to evaluate the quality of each combination that is encountered. Numerical examples are provided.
An Improved Robot Path Planning Algorithm
Directory of Open Access Journals (Sweden)
Xuesong Yan
2012-12-01
Full Text Available Robot path planning is a NP problem; traditional optimization methods are not very effective to solve it.Traditional genetic algorithm trapped into the local minimum easily. Therefore, based on a simple genetic algorithm and combine the base ideology of orthogonal design method then applied it to the population initialization, using the intergenerational elite mechanism, as well as the introduction of adaptive local search operator to prevent trapped into the local minimum and improve the convergence speed to form a new genetic algorithm. Through the series of numerical experiments, the new algorithm has been proved to be efficiency. We also use the proposed algorithm to solve the robot path planning problem and the experiment results indicated that the new algorithm is efficiency for solving the robot path planning problems and the best path usually can be found.
AEDT sensor path methods using BADA4
2017-06-01
This report documents the development and use of sensor path data processing in the Federal Aviation Administration's (FAAs) Aviation Environmental Design Tool (AEDT). The methods are primarily intended to assist analysts with using AEDT to determ...
Thermally induced morphological transition of silver fractals
DEFF Research Database (Denmark)
Solov'yov, Ilia; Solov'yov, Andrey; Kébaili, Nouari
2014-01-01
We present both experimental and theoretical study of thermally induced morphological transition of silver nanofractals. Experimentally, those nanofractals formed from deposition and diffusion of preformed silver clusters on cleaved graphite surfaces exhibit dendritic morphologies that are highly...... sensitive to any perturbation, particularly caused by temperature. We analyze and characterize the morphological transition both in time and temperature using the recently developed Monte Carlo simulation approach for the description of nanofractal dynamics and compare the obtained results...
Acquisition Path Analysis as a Collaborative Activity
International Nuclear Information System (INIS)
Nakao, A.; Grundule, R.; Gushchyn, K.; El Gebaly, A.; Higgy, R.; Tsvetkov, I.; Mandl, W.
2015-01-01
In the International Atomic Energy Agency, acquisition path analysis (APA) is indispensable to safeguards implementation. It is an integral part of both State evaluation process and the development of State level safeguards approaches, all performed through ongoing collaborative analysis of all available safeguards relevant information by State evaluation groups (SEG) with participation of other contributors, as required. To perform comprehensive State evaluation, to develop and revise State-level safeguards approaches, and to prepare annual implementation plans, the SEG in its collaborative analysis follows accepted safeguards methodology and guidance. In particular, the guide ''Performing Acquisition Path Analysis for the Development of a State-level Safeguards Approach for a State with a CSA'' is used. This guide identifies four major steps of the APA process: 1. Consolidating information about the State's past, present and planned nuclear fuel cycle-related capabilities and infrastructure; 2. Identifying and visually presenting technically plausible acquisition paths for the State; 3. Assessing acquisition path steps (State's technical capabilities and possible actions) along the identified acquisition paths; and 4. Assessing the time needed to accomplish each identified technically plausible acquisition path for the State. The paper reports on SEG members' and other contributors' experience with APA when following the above steps, including the identification of plausible acquisition pathways, estimation of time frames for all identified steps and determination of the time needed to accomplish each acquisition path. The difficulties that the SEG encountered during the process of performing the APA are also addressed. Feedback in the form of practical suggestions for improving the clarity of the acquisition path step assessment forms and a proposal for software support are also included. (author)
Multiagent path-finding in strategic games
Mihevc, Simon
2014-01-01
In this thesis I worked on creating, comparing and improving algorithms for multi-agent path planning on a domain typical for real-time strategy games. I implemented and compared Multiagent pathfinding using clearance and Multiagent pathfinding using independence detection and operator decomposition. I discovered that they had problems maintaining group compactness and took too long to calculate the path. I considerably improved the efficiency of both algorithms.
Feasible Path Planning for Autonomous Vehicles
Directory of Open Access Journals (Sweden)
Vu Trieu Minh
2014-01-01
Full Text Available The objective of this paper is to find feasible path planning algorithms for nonholonomic vehicles including flatness, polynomial, and symmetric polynomial trajectories subject to the real vehicle dynamical constraints. Performances of these path planning methods are simulated and compared to evaluate the more realistic and smoother generated trajectories. Results show that the symmetric polynomial algorithm provides the smoothest trajectory. Therefore, this algorithm is recommended for the development of an automatic control for autonomous vehicles.
Diversion Path Analysis Handbook. Volume 1. Methodology
International Nuclear Information System (INIS)
Goodwin, K.E.; Schleter, J.C.; Maltese, M.D.K.
1978-11-01
Diversion Path Analysis (DPA) is a safeguards evaluation tool which is used to determine the vulnerability of the Material Control and Material Accounting (MC and MA) Subsystems to the threat of theft of Special Nuclear Material (SNM) by a knowledgeable Insider. The DPA team should consist of two individuals who have technical backgrounds. The implementation of DPA is divided into five basic steps: Information and Data Gathering, Process Characterization, Analysis of Diversion Paths, Results and Findings, and Documentation
A career path in clinical pathways.
Bower, K A
1998-03-01
Much like the development of a clinical path, the creation of a career path requires knowledge of patterns of behavior, needs for standardized education and skill development, along with variance analysis and individualized care. This nationally known nursing entrepreneur tells the story of her involvement in the development of case management and clinical pathways and how she turned that into a successful business that has changed how patient care is managed nationally and internationally.
Geometric structures on loop and path spaces
Indian Academy of Sciences (India)
Geometric structures on loop and path spaces. VICENTE MU ˜NOZ ... Now consider the path space P(M) consisting of C∞. -maps γ: [0, 1] .... (7) which implies ω(U,V) = ∫ 1. 0 g. (. ∂U. ∂t. ,V. ) dt. (8). Now the kernel of this 2-form at a point γ is given by the parallel vector fields along γ. Therefore dim ker(ωγ ) ≤ n. There are ...
Anomalous diffusion on 2d randomly oriented diode networks
International Nuclear Information System (INIS)
Aydiner, E.; Kiymach, K.
2002-01-01
In this work, we have studied the diffusion properties of a randomly oriented two- dimensional diode network, using Monte Carlo Simulation method. The characteristic exponent α of the diffusion is obtained against the reverse transition probability W γ . We have found two critical values of W γ ; 0.003 and 0.4. α has been found to be 0.376 for W γ ≤ 0.003, and ≅ 1 for W γ ≥ 0.4 . For W γ >0.4 normal diffusion, and for 0.003≤W γ ≤0.4 anomalous sub-diffusion are observed. But for W γ ≤0.003 there seems to be no diffusion at all
Simulating mesoscopic reaction-diffusion systems using the Gillespie algorithm
Energy Technology Data Exchange (ETDEWEB)
Bernstein, David
2004-12-12
We examine an application of the Gillespie algorithm to simulating spatially inhomogeneous reaction-diffusion systems in mesoscopic volumes such as cells and microchambers. The method involves discretizing the chamber into elements and modeling the diffusion of chemical species by the movement of molecules between neighboring elements. These transitions are expressed in the form of a set of reactions which are added to the chemical system. The derivation of the rates of these diffusion reactions is by comparison with a finite volume discretization of the heat equation on an unevenly spaced grid. The diffusion coefficient of each species is allowed to be inhomogeneous in space, including discontinuities. The resulting system is solved by the Gillespie algorithm using the fast direct method. We show that in an appropriate limit the method reproduces exact solutions of the heat equation for a purely diffusive system and the nonlinear reaction-rate equation describing the cubic autocatalytic reaction.
DEFF Research Database (Denmark)
Raahauge, Kirsten Marie
2008-01-01
and the interaction of cultural, social, and spatial organizations, as seen from the point of view of people living in Skåde Bakker and Fedet. The focus is on the city dwellers’ representations of the central district of Århus with specific reference to the concept of transit space. When applied to various Århusian...
Gossmann, Hans-Joachim L.
1996-03-01
Ion implantation is the standard method for dopant introduction during integrated circuit manufacturing, determining crucial device characteristics. Implantation creates point-defects, such as Si self-interstitials and vacancies, far in excess of equilibrium concentrations. Since the diffusion of common dopants involves Si point defects, the interaction of damage and dopants during subsequent annealing steps leads to the phenomenon known as "transient enhanced diffusion" (TED): The dopant diffusivities are enhanced, possibly by many orders of magnitude. The enhancement is transient since the intrinsic defects eventually diffuse into the bulk or annihilate at the surface. The desired specific dopant profile of the device is thus the result of a complex reaction, involving the creation of damage and its spatial distribution, diffusion, and interaction of the point defects among themselves and with interfaces and other defects. As device dimensions shrink and experiments become more and more expensive, the capability to predict these kinds of non-equilibrium phenomena accurately becomes crucial to Si technology development. In our experiments to extract physical mechanisms and parameters of TED we use the method of sharp B- and Sb doping spikes to track interstitial and vacancy concentrations as a function of depth during processing. Thus we gain sensitivity to small diffusion distances (low temperatures) and separate the damaged region from the region of the interaction with dopants. In addition, our method yields directly the actual point defect diffusivity. Although an ion implant initially produces Frenkel pairs, Monte-carlo simulations show that the vacancies annihilate quickly. The excess interstitials, roughly one for each implanted ion coalesce into 311defects. The subsequent evaporation of interstitials from 311ś drives TED. Si interstitial diffusion is influenced by carbon-related traps and we will demonstrate that this finding reconciles quantitatively a
Quantum cosmology based on discrete Feynman paths
International Nuclear Information System (INIS)
Chew, Geoffrey F.
2002-01-01
Although the rules for interpreting local quantum theory imply discretization of process, Lorentz covariance is usually regarded as precluding time quantization. Nevertheless a time-discretized quantum representation of redshifting spatially-homogeneous universe may be based on discrete-step Feynman paths carrying causal Lorentz-invariant action--paths that not only propagate the wave function but provide a phenomenologically-promising elementary-particle Hilbert-space basis. In a model under development, local path steps are at Planck scale while, at a much larger ''wave-function scale'', global steps separate successive wave-functions. Wave-function spacetime is but a tiny fraction of path spacetime. Electromagnetic and gravitational actions are ''at a distance'' in Wheeler-Feynman sense while strong (color) and weak (isospin) actions, as well as action of particle motion, are ''local'' in a sense paralleling the action of local field theory. ''Nonmaterial'' path segments and ''trivial events'' collaborate to define energy and gravity. Photons coupled to conserved electric charge enjoy privileged model status among elementary fermions and vector bosons. Although real path parameters provide no immediate meaning for ''measurement'', the phase of the complex wave function allows significance for ''information'' accumulated through ''gentle'' electromagnetic events involving charged matter and ''soft'' photons. Through its soft-photon content the wave function is an ''information reservoir''
International Nuclear Information System (INIS)
Gardes, E.
2006-06-01
Proper knowledge of the diffusion rates of lead in monazite is necessary to understand the U-Th-Pb age anomalies of this mineral, which is one of the most used in geochronology after zircon. Diffusion experiments were performed in NdPO 4 monocrystals and in Nd 0.66 Ca 0.17 Th 0.17 PO 4 polycrystals from Nd 0.66 Pb 0.17 Th 0.17 PO 4 thin films to investigate Pb 2+ + Th 4+ ↔ 2 Nd 3+ and Pb 2+ ↔ Ca 2+ exchanges. Diffusion annealings were run between 1200 and 1500 Celsius degrees, at room pressure, for durations ranging from one hour to one month. The diffusion profiles were analysed using TEM (transmission electronic microscopy) and RBS (Rutherford backscattering spectroscopy). The diffusivities extracted for Pb 2+ + Th 4+ ↔ 2 Nd 3+ exchange follow an Arrhenius law with parameters E equals 509 ± 24 kJ mol -1 and log(D 0 (m 2 s -1 )) equals -3.41 ± 0.77. Preliminary data for Pb 2+ ↔ Ca 2+ exchange are in agreement with this result. The extrapolation of our data to crustal temperatures yields very slow diffusivities. For instance, the time necessary for a 50 μm grain to lose all of its lead at 800 Celsius degrees is greater than the age of the Earth. From these results and other evidence from the literature, we conclude that most of the perturbations in U-Th-Pb ages of monazite cannot be attributed to lead diffusion, but rather to interactions with fluids. (author)
Electron diffusion due to electromagnetic field fluctuations
International Nuclear Information System (INIS)
Yamagishi, T.
1986-01-01
Cross field electron diffusion induced by low frequency electromagnetic field fluctuations is investigated by the test particle approach based on the drift kinetic equation with the number conserving Krook collision term within the limit of quasilinear analysis in slab geometry. The diffusion coefficient is described in terms of a form factor which consists of three portions; the wave number and frequency spectra of density fluctuations, the effect of longitudinal wave-particle interaction, and the transverse dispersion function. The transverse dispersion gives the plasma skin depth as the characteristic scale length, which yields the Alcator-like scaling of the diffusion coefficient. The form factor shows a resonance-like behavior due to the magnetic part of fluctuations at the drift frequency, which indicates the importance of density fluctuations near the frequency in the electromagnetic plasma turbulence. This resonance is enhanced with increasing the plasma pressure, and finally the transition of the Alcator scaling is possible in the case of narrow band turbulence. The transitions of the Alcator scaling by the effect of collision is also derived in the single mode approximation. (author)
Modeling of Reaction Processes Controlled by Diffusion
International Nuclear Information System (INIS)
Revelli, Jorge
2003-01-01
Stochastic modeling is quite powerful in science and technology.The technics derived from this process have been used with great success in laser theory, biological systems and chemical reactions.Besides, they provide a theoretical framework for the analysis of experimental results on the field of particle's diffusion in ordered and disordered materials.In this work we analyze transport processes in one-dimensional fluctuating media, which are media that change their state in time.This fact induces changes in the movements of the particles giving rise to different phenomena and dynamics that will be described and analyzed in this work.We present some random walk models to describe these fluctuating media.These models include state transitions governed by different dynamical processes.We also analyze the trapping problem in a lattice by means of a simple model which predicts a resonance-like phenomenon.Also we study effective diffusion processes over surfaces due to random walks in the bulk.We consider different boundary conditions and transitions movements.We derive expressions that describe diffusion behaviors constrained to bulk restrictions and the dynamic of the particles.Finally it is important to mention that the theoretical results obtained from the models proposed in this work are compared with Monte Carlo simulations.We find, in general, excellent agreements between the theory and the simulations
Computing LS factor by runoff paths on TIN
Kavka, Petr; Krasa, Josef; Bek, Stanislav
2013-04-01
The article shows results of topographic factor (the LS factor in USLE) derivation enhancement focused on detailed Airborne Laser Scanning (ALS) based DEMs. It describes a flow paths generation technique using triangulated irregular network (TIN) for terrain morphology description, which is not yet established in soil loss computations. This technique was compared with other procedures of flow direction and flow paths generation based on commonly used raster model (DEM). These overland flow characteristics together with therefrom derived flow accumulation are significant inputs for many scientific models. Particularly they are used in all USLE-based soil erosion models, from which USLE2D, RUSLE3D, Watem/Sedem or USPED can be named as the most acknowledged. Flow routing characteristics are also essential parameters in physically based hydrological and soil erosion models like HEC-HMS, Wepp, Erosion3D, LISEM, SMODERP, etc. Mentioned models are based on regular raster grids, where the identification of runoff direction is problematic. The most common method is Steepest descent (one directional flow), which corresponds well with the concentration of surface runoff into concentrated flow. The Steepest descent algorithm for the flow routing doesn't provide satisfying results, it often creates parallel and narrow flow lines while not respecting real morphological conditions. To overcome this problem, other methods (such as Flux Decomposition, Multiple flow, Deterministic Infinity algorithm etc.) separate the outflow into several components. This approach leads to unrealistic diffusion propagation of the runoff and makes it impossible to be used for simulation of dominant morphological features, such as artificial rills, hedges, sediment traps etc. The modern methods of mapping ground elevations, especially ALS, provide very detailed models even for large river basins, including morphological details. New algorithms for derivation a runoff direction have been developed as
Social contention in Denmark over alternative wind power development paths
DEFF Research Database (Denmark)
Nyborg, Sophie; Kirkegaard, Julia Kirch; Clausen, Laura Tolnov
Through a case-study on the development of a contested wind farm project in the Northern part of Jutland in Denmark, this paper builds on an STS-approach to shed light on the contested acceptability of wind farm development, which has produced controversy and social contention over energy justice....... Wind energy projects on land in Denmark are increasingly subject to social contention. Research and policy are mostly directed towards understanding how 'public acceptance' of current market-driven ways of wind power development can be supported and less on exploring the potentiality of alternative...... paths or understanding processes of coalition formation and reasons for social contention that underlie socio-technical controversies over sustainable transitions. In this paper, we draw on case-study research, inquiring into the contested translation of a Danish wind farm site in the rural area...
Stochastic ship roll motion via path integral method
Directory of Open Access Journals (Sweden)
G. Cottone
2010-09-01
Full Text Available The response of ship roll oscillation under random ice impulsive loads modeled by Poisson arrival process is very important in studying the safety of ships navigation in cold regions. Under both external and parametric random excitations the evolution of the probability density function of roll motion is evaluated using the path integral (PI approach. The PI method relies on the Chapman-Kolmogorov equation, which governs the response transition probability density functions at two close intervals of time. Once the response probability density function at an early close time is specified, its value at later close time can be evaluated. The PI method is first demonstrated via simple dynamical models and then applied for ship roll dynamics under random impulsive white noise excitation.
Stochastic ship roll motion via path integral method
Cottone, G.; Di Paola, M.; Ibrahim, R.; Pirrotta, A.; Santoro, R.
2010-09-01
The response of ship roll oscillation under random ice impulsive loads modeled by Poisson arrival process is very important in studying the safety of ships navigation in cold regions. Under both external and parametric random excitations the evolution of the probability density function of roll motion is evaluated using the path integral (PI) approach. The PI method relies on the Chapman-Kolmogorov equation, which governs the response transition probability density functions at two close intervals of time. Once the response probability density function at an early close time is specified, its value at later close time can be evaluated. The PI method is first demonstrated via simple dynamical models and then applied for ship roll dynamics under random impulsive white noise excitation
Anomalous Diffusion Near Resonances
Energy Technology Data Exchange (ETDEWEB)
Sen, Tanaji; /Fermilab
2010-05-01
Synchro-betatron resonances can lead to emittance growth and the loss of luminosity. We consider the detailed dynamics of a bunch near such a low order resonance driven by crossing angles at the collision points. We characterize the nature of diffusion and find that it is anomalous and sub-diffusive. This affects both the shape of the beam distribution and the time scales for growth. Predictions of a simplified anomalous diffusion model are compared with direct simulations. Transport of particles near resonances is still not a well understood phenomenon. Often, without justification, phase space motion is assumed to be a normal diffusion process although at least one case of anomalous diffusion in beam dynamics has been reported [1]. Here we will focus on the motion near synchro-betatron resonances which can be excited by several means, including beams crossing at an angle at the collision points as in the LHC. We will consider low order resonances which couple the horizontal and longitudinal planes, both for simplicity and to observe large effects over short time scales. While the tunes we consider are not practical for a collider, nonetheless the transport mechanisms we uncover are also likely to operate at higher order resonances.
DEFF Research Database (Denmark)
Hansen, Ole Erik; Søndergård, Bent
2014-01-01
What. The chapter addresses designing for sustainability as interventions in socio-technical systems and social practices of users and communities. It calls for reflexive design practices challenging dominant regimes and shaping alternative design spaces. The specific case is the reconfiguration...... of agendas/vision, technologies, actors and institutions in the emergent design of an urban mobility system based on an electric car sharing system. Why. Designing for sustainability is a fundamental challenge for future design practices; designers have to obtain an ability to contribute to sustainable...... transition processes. Where. Addresses design processes aimed at sustainable transition enacted in complex social settings, socio-technical systems involving many different actors and agendas. How. The chapter outlines a conceptual and analytic framework for a reflexive design practice for sustainability...
2006-06-09
done to facilitate the transition.52 CRS-12 53 David T. Stanley, Changing Administrations (Washington: Brookings Institution, 1965), p. 6. 54 “Pre...Conference of Mayors; Sharleen Hirsch, an educational administrator; and Jule Sugarman , a public administrator. Staff members were assigned to task forces...Issues,” Washington Post, Nov. 13, 1980, p. Al. 77 David Hoffman, “Bush Names Baker Secretary of State,” Washington Post, Nov. 10, 1988, pp. Al and
International Nuclear Information System (INIS)
Evans, R.B. III; Davis, W. Jr.; Sutton, A.L. Jr.
1980-05-01
Experiments on diffusion of 137 Cs in five types of graphite were performed. The document provides a completion of the report that was started and includes a presentation of all of the diffusion data, previously unpublished. Except for data on mass transfer of 137 Cs in the Hawker-Siddeley graphite, analyses of experimental results were initiated but not completed. The mass transfer process of cesium in HS-1-1 graphite at 600 to 1000 0 C in a helium atmosphere is essentially pure diffusion wherein values of (E/epsilon) and ΔE of the equation D/epsilon = (D/epsilon) 0 exp [-ΔE/RT] are about 4 x 10 -2 cm 2 /s and 30 kcal/mole, respectively
Apparatus for diffusion separation
International Nuclear Information System (INIS)
Nierenberg, W.A.; Pontius, R.B.
1976-01-01
The method of testing the separation efficiency of porous permeable membranes is described which comprises causing a stream of a gaseous mixture to flow into contact with one face of a finely porous permeable membrane under such conditions that a major fraction of the mixture diffuses through the membrane, maintaining a rectangular cross section of the gaseous stream so flowing past said membrane, continuously recirculating the gas that diffuses through said membrane and continuously withdrawing the gas that does not diffuse through said membrane and maintaining the volume of said recirculating gas constant by continuously introducing into said continuously recirculating gas stream a mass of gas equivalent to that which is continuously withdrawn from said gas stream and comparing the concentrations of the light component in the entering gas, the withdrawn gas and the recirculated gas in order to determine the efficiency of said membrane
Energy Technology Data Exchange (ETDEWEB)
Brogaard Kristensen, S.
2000-06-01
This report describes the work done on modelling and simulation of the complex diffusion of gas through the wall of a flexible pipe. The diffusion and thus the pressure in annulus depends strongly on the diffusion and solubility parameters of the gas-polymer system and on the degree of blocking of the outer surface of the inner liner due to pressure reinforcements. The report evaluates the basis modelling required to describe the complex geometries and flow patterns. Qualitatively results of temperature and concentration profiles are shown in the report. For the program to serve any modelling purpose in 'real life' the results need to be validated and possibly the model needs corrections. Hopefully, a full-scale test of a flexible pipe will provide the required temperatures and pressures in annulus to validate the models. (EHS)
Vrentas, James S
2013-01-01
The book first covers the five elements necessary to formulate and solve mass transfer problems, that is, conservation laws and field equations, boundary conditions, constitutive equations, parameters in constitutive equations, and mathematical methods that can be used to solve the partial differential equations commonly encountered in mass transfer problems. Jump balances, Green’s function solution methods, and the free-volume theory for the prediction of self-diffusion coefficients for polymer–solvent systems are among the topics covered. The authors then use those elements to analyze a wide variety of mass transfer problems, including bubble dissolution, polymer sorption and desorption, dispersion, impurity migration in plastic containers, and utilization of polymers in drug delivery. The text offers detailed solutions, along with some theoretical aspects, for numerous processes including viscoelastic diffusion, moving boundary problems, diffusion and reaction, membrane transport, wave behavior, sedime...
On the distribution of estimators of diffusion constants for Brownian motion
International Nuclear Information System (INIS)
Boyer, Denis; Dean, David S
2011-01-01
We discuss the distribution of various estimators for extracting the diffusion constant of single Brownian trajectories obtained by fitting the squared displacement of the trajectory. The analysis of the problem can be framed in terms of quadratic functionals of Brownian motion that correspond to the Euclidean path integral for simple Harmonic oscillators with time dependent frequencies. Explicit analytical results are given for the distribution of the diffusion constant estimator in a number of cases and our results are confirmed by numerical simulations.
Oxygen transport in waterlogged soils, Part II. Diffusion coefficients
International Nuclear Information System (INIS)
Obando Moncayo, F.H.
2004-01-01
Several equations are available for Oxygen Transport in Waterlogged Soils and have been used for soils and plants. All of them are some form of first Fick's law as given by dQ = - DA(dc/dx)/dt. This equation illustrates some important aspects of aeration in waterlogged soils; first, D is a property of the medium and the gas, and is affected by temperature T. Likewise, the amount of diffusing substance dQ in dt is a direct function of the cross sectional area A and inversely proportional to the distance x. In fact, increasing the water content of air-dry soil, drastically decreases A and creates a further resistance for the flow of oxygen through water films around root plants, soil micro organisms and soil aggregates. The solid phase is also limiting the cross-section of surface of the free gaseous diffusion and the length and tortuosity of diffusion path in soil. In most of cases, soil gas porosity and tortuosity of soil voids are expressed in the equations of diffusion as a broad 'diffusion coefficient' (apparent coefficient diffusion). The process of soil respiration is complicated, involves many parameters, and is difficult to realistically quantify. With regard to the oxygen supply, it is convenient to distinguish macro and micro models, and hence, the flux of oxygen is assumed to have two steps. The first step is related to oxygen diffusion from the atmosphere and the air-filled porosity. The second step is related to the oxygen diffusion through water-films in and around plant roots, soil micro organisms and aggregates. Because of these models we obtain coefficients of macro or micro diffusion, rates of macro or micro diffusion, etc. In the macro diffusion process oxygen is transferred in the soil profile, mainly from the soil surface to a certain depth of the root zone, while micro diffusion deals with the flux over very short distances. Both processes, macro and micro diffusion are highly influenced by soil water content. Of course, if water is added to
Diffusion-weighted MRI of the prostate
International Nuclear Information System (INIS)
Mueller-Lisse, U.G.; Scherr, M.K.; Mueller-Lisse, U.L.; Zamecnik, P.; Schlemmer, H.P.W.
2011-01-01
Diffusion-weighted magnetic resonance imaging (DWI) can complement MRI of the prostate in the detection and localization of prostate cancer, particularly after previous negative biopsy. A total of 13 original reports and 2 reviews published in 2010 demonstrate that prostate cancer can be detected by DWI due to its increased cell density and decreased diffusiveness, either qualitatively in DWI images or quantitatively by means of the apparent diffusion coefficient (ADC). In the prostate, the ADC is influenced by the strength of diffusion weighting, localization (peripheral or transitional zone), presence of prostatitis or hemorrhage and density and differentiation of prostate cancer cells. Mean differences between healthy tissue of the peripheral zone and prostate cancer appear to be smaller for ADC than for the (choline + creatine)/citrate ratio in MR spectroscopy. Test quality parameters vary greatly between different studies but appear to be slightly better for combined MRI and DWI than for MRI of the prostate alone. Clinical validation of DWI of the prostate requires both increased technical conformity and increased numbers of patients in clinical studies. (orig.) [de
Introduction to quantum mechanics Schrödinger equation and path integral
Müller-Kirsten, H J W
2012-01-01
This text on quantum mechanics begins by covering all the main topics of an introduction to the subject. It then concentrates on newer developments. In particular it continues with the perturbative solution of the Schrodinger equation for various potentials and thereafter with the introduction and evaluation of their path integral counterparts. Considerations of the large order behavior of the perturbation expansions show that in most applications these are asymptotic expansions. The parallel consideration of path integrals requires the evaluation of these around periodic classical configurations, the fluctuation equations about which lead back to specific wave equations. The period of the classical configurations is related to temperature, and permits transitions to the thermal domain to be classified as phase transitions. In this second edition of the text important applications and numerous examples have been added. In particular, the chapter on the Coulomb potential has been extended to include an introdu...
Pilot projects and their diffusion: a case study of integrated coastal management in South Africa
CSIR Research Space (South Africa)
Vreugdenhil, H
2012-01-01
Full Text Available Pilot projects are policy instruments mainly applied to introduce or test new practices, concepts or technologies. Pilot projects can lead to a broader policy transition. However, the diffusion process associated with the pilot projects is not well...
Multiple dynamic transitions in nonequilibrium work fluctuations.
Noh, Jae Dong; Kwon, Chulan; Park, Hyunggyu
2013-09-27
The time-dependent work probability distribution function P(W) is investigated analytically for a diffusing particle trapped by an anisotropic harmonic potential and driven by a nonconservative drift force in two dimensions. We find that the exponential tail shape of P(W) characterizing rare-event probabilities undergoes a sequence of dynamic transitions in time. These remarkable locking-unlocking type transitions result from an intricate interplay between a rotational mode induced by the nonconservative force and an anisotropic decaying mode due to the conservative attractive force. We expect that most of the high-dimensional dynamical systems should exhibit similar multiple dynamic transitions.
Ingrin, Jannick; Zhang, Peipei
2016-04-01
Hydrogen mobility in gem quality zircon single crystals from Madagascar was investigated through H-D exchange experiments. Thin slices were annealed in a horizontal furnace flushed with a gas mixture of Ar/D2(10%) under ambient pressure between 900 ° C to 1150 ° C. FTIR analyses were performed on oriented slices before and after each annealing run. H diffusion along [100] and [010] follow the same diffusion law D = D0exp[-E /RT], with log D0 = 2.24 ± 1.57 (in m2/s) and E = 374 ± 39 kJ/mol. H diffusion along [001] follows a slightly more rapid diffusion law, with log D0 = 1.11 ± 0.22 (in m2/s) and E = 334 ± 49 kJ/mol. H diffusion in zircon has much higher activation energy and slower diffusivity than other NAMs below 1150 ° C even iron-poor garnets which are known to be among the slowest (Blanchard and Ingrin, 2004; Kurka et al. 2005). During H-D exchange zircon incorporates also deuterium. This hydration reaction involves uranium reduction as it is shown from the exchange of U5+ and U4+ characteristic bands in the near infrared region during annealing. It is the first time that a hydration reaction U5+ + OH- = U4+ + O2- + 1/2H2, is experimentally reported. The kinetics of deuterium incorporation is slightly slower than hydrogen diffusion, suggesting that the reaction is limited by hydrogen mobility. Hydrogen isotopic memory of zircon is higher than other NAMs. Zircons will be moderately retentive of H signatures at mid-crustal metamorphic temperatures. At 500 ° C, a zircon with a radius of 300 μm would retain its H isotopic signature over more than a million years. However, a zircon is unable to retain this information for geologically significant times under high-grade metamorphism unless the grain size is large enough. Refrences Blanchard, M. and Ingrin, J. (2004) Hydrogen diffusion in Dora Maira pyrope. Physics and Chemistry of Minerals, 31, 593-605. Kurka, A., Blanchard, M. and Ingrin, J. (2005) Kinetics of hydrogen extraction and deuteration in
Phase transformation and diffusion
Kale, G B; Dey, G K
2008-01-01
Given that the basic purpose of all research in materials science and technology is to tailor the properties of materials to suit specific applications, phase transformations are the natural key to the fine-tuning of the structural, mechanical and corrosion properties. A basic understanding of the kinetics and mechanisms of phase transformation is therefore of vital importance. Apart from a few cases involving crystallographic martensitic transformations, all phase transformations are mediated by diffusion. Thus, proper control and understanding of the process of diffusion during nucleation, g
Directory of Open Access Journals (Sweden)
Fabio Marchesoni
2013-08-01
Full Text Available The longstanding problem of Brownian transport in a heterogeneous quasi one-dimensional medium with space-dependent self-diffusion coefficient is addressed in the overdamped (zero mass limit. A satisfactory mesoscopic description is obtained in the Langevin equation formalism by introducing an appropriate drift term, which depends on the system macroscopic observables, namely the diffuser concentration and current. The drift term is related to the microscopic properties of the medium. The paradoxical existence of a finite drift at zero current suggests the possibility of designing a Maxwell demon operating between two equilibrium reservoirs at the same temperature.
Diffusion in advanced materials
Murch, Graeme; Belova, Irina
2014-01-01
In the first chapter Prof. Kozubski and colleagues present atomisticsimulations of superstructure transformations of intermetallic nanolayers.In Chapter 2, Prof. Danielewski and colleagues discuss a formalism for themorphology of the diffusion zone in ternary alloys. In Chapter 3, ProfessorsSprengel and Koiwa discuss the classical contributions of Boltzmann andMatano for the analysis of concentration-dependent diffusion. This isfollowed by Chapter 4 by Professor Cserháti and colleagues on the use of Kirkendall porosity for fabricating hollow hemispheres. In Chapter 5,Professor Morton-Blake rep
International Nuclear Information System (INIS)
Silva, T.L. da.
1987-01-01
Is this thesis, a numerical method for the solution of the linear diffusion equation for a plasma containing two types of ions, with the possibility of charge exchange, has been developed. It has been shown that the decay time of the electron and ion densities is much smaller than that in a plasma containing only a single type of ion. A non-linear diffusion equation, which includes the effects of an external electric field varying linearly in time, to describe a slightly ionized plasma has also been developed. It has been verified that the decay of the electron density in the presence of such an electric field is very slow. (author)
Path optimization method for the sign problem
Directory of Open Access Journals (Sweden)
Ohnishi Akira
2018-01-01
Full Text Available We propose a path optimization method (POM to evade the sign problem in the Monte-Carlo calculations for complex actions. Among many approaches to the sign problem, the Lefschetz-thimble path-integral method and the complex Langevin method are promising and extensively discussed. In these methods, real field variables are complexified and the integration manifold is determined by the flow equations or stochastically sampled. When we have singular points of the action or multiple critical points near the original integral surface, however, we have a risk to encounter the residual and global sign problems or the singular drift term problem. One of the ways to avoid the singular points is to optimize the integration path which is designed not to hit the singular points of the Boltzmann weight. By specifying the one-dimensional integration-path as z = t +if(t(f ϵ R and by optimizing f(t to enhance the average phase factor, we demonstrate that we can avoid the sign problem in a one-variable toy model for which the complex Langevin method is found to fail. In this proceedings, we propose POM and discuss how we can avoid the sign problem in a toy model. We also discuss the possibility to utilize the neural network to optimize the path.
Path integral quantization of gravitational interactions
International Nuclear Information System (INIS)
Fujikawa, Kazuo.
1985-07-01
Some of the local symmetry properties of quantum field theory in curved space-time and quantized gravitational interactions are discussed. We concentrate on local symmetry properties, and thus the asymptotically flat space-time is assumed, whenever necessary, in the hope that the precise boundary conditions will not modify the short distance structure in quantum theory. We adopt the DeWitt-Faddeev-Popov prescription of the Feynman path integral with a complete gauge fixing. The topics discussed include: (i) A brief review of the path integral derivation of chiral anomalies in flat space-time. (ii) The specification of the gravitational path integral measure, which avoids all the ''fake'' gravitational anomalies, and the applications of this path integral prescription to 1) effective potential in generalized Kaluza-Klein theory, 2) 4-dimensional conformal anomalies, 3) conformal symmetry in pure conformal gravity, 4) bosonic string theory as a gravitational theory in d = 2, 5) Virasoro condition and the Wheeler-DeWitt equation in the path integral formalism, 6) gravitational anomalies and the definition of the energy-momentum tensor. (author)
Ultrafast electron crystallography of the cooperative reaction path in vanadium dioxide
Directory of Open Access Journals (Sweden)
Ding-Shyue Yang
2016-05-01
Full Text Available Time-resolved electron diffraction with atomic-scale spatial and temporal resolution was used to unravel the transformation pathway in the photoinduced structural phase transition of vanadium dioxide. Results from bulk crystals and single-crystalline thin-films reveal a common, stepwise mechanism: First, there is a femtosecond V−V bond dilation within 300 fs, second, an intracell adjustment in picoseconds and, third, a nanoscale shear motion within tens of picoseconds. Experiments at different ambient temperatures and pump laser fluences reveal a temperature-dependent excitation threshold required to trigger the transitional reaction path of the atomic motions.
Requirements for supercomputing in energy research: The transition to massively parallel computing
Energy Technology Data Exchange (ETDEWEB)
1993-02-01
This report discusses: The emergence of a practical path to TeraFlop computing and beyond; requirements of energy research programs at DOE; implementation: supercomputer production computing environment on massively parallel computers; and implementation: user transition to massively parallel computing.
Suppression of oscillations in mean-field diffusion
Indian Academy of Sciences (India)
lations in the parameter space crucially depends on the value of mean-field diffusion parameter. It is also found that the transition from ... close relevance in controlling the dynamics of many physical systems. To induce AD in the systems ... least studied, although it is very relevant in biological systems. In these systems, OD.
Anisotropic diffusion of volatile pollutants at air-water interface
Directory of Open Access Journals (Sweden)
Li-ping Chen
2013-04-01
Full Text Available The volatile pollutants that spill into natural waters cause water pollution. Air pollution arises from the water pollution because of volatilization. Mass exchange caused by turbulent fluctuation is stronger in the direction normal to the air-water interface than in other directions due to the large density difference between water and air. In order to explore the characteristics of anisotropic diffusion of the volatile pollutants at the air-water interface, the relationship between velocity gradient and mass transfer rate was established to calculate the turbulent mass diffusivity. A second-order accurate smooth transition differencing scheme (STDS was proposed to guarantee the boundedness for the flow and mass transfer at the air-water interface. Simulations and experiments were performed to study the trichloroethylene (C2HCl3 release. By comparing the anisotropic coupling diffusion model, isotropic coupling diffusion model, and non-coupling diffusion model, the features of the transport of volatile pollutants at the air-water interface were determined. The results show that the anisotropic coupling diffusion model is more accurate than the isotropic coupling diffusion model and non-coupling diffusion model. Mass transfer significantly increases with the increase of the air-water relative velocity at a low relative velocity. However, at a higher relative velocity, an increase in the relative velocity has no effect on mass transfer.
Atomic diffusion in alloys exposed to liquid sodium
International Nuclear Information System (INIS)
Fisher, S.B.
1976-01-01
Reasons for the observed enhancement of atomic diffusion coefficient in alloys exposed to sodium are explored. The diffusion coefficient in the presence of a chemical potential gradient is derived from a simple atomistic model. It is concluded that two mechanisms could contribute to the enhancement. (a) A non-zero gradient of partial molar enthalpy. (b) An increase in the atomic mobility due to the presence of high diffusivity paths. It is shown that the effect of (a) is not of sufficient magnitude to account for the increase in coefficient. However the results can be analysed successfully in terms of grain boundary diffusion and the coefficients are determined for iron in Ni/Cr (1.2x10 -9 cm 2 /s) at 650 0 C and nickel in iron (5x10 -8 cm 2 /s) at 730 0 C. The total absorbed diffusant is also calculated for the case of iron into Ni/Cr, and a general expression for the absorbed diffusant is given. (Auth.)
Conservative diffusions: a constructive approach to Nelson's stochastic mechanics
International Nuclear Information System (INIS)
Carlen, E.A.
1984-01-01
In Nelson's stochastic mechanics, quantum phenomena are described in terms of diffusions instead of wave functions; this thesis is a study of that description. Concern here is with the possibility of describing, as opposed to explaining, quantum phenomena in terms of diffusions. In this direction, the following questions arise: ''Do the diffusion of stochastic mechanics - which are formally given by stochastic differential equations with extremely singular coefficients - really exist.'' Given that they exist, one can ask, ''Do these diffusions have physically reasonable paths to study the behavior of physical systems.'' These are the questions treated in this thesis. In Chapter 1, stochastic mechanics and diffusion theory are reviewed, using the Guerra-Morato variational principle to establish the connection with the Schroedinger equation. Chapter II settles the first of the questions raised above. Using PDE methods, the diffusions of stochastic mechanics are constructed. The result is sufficiently general to be of independent mathematical interest. In Chapter III, potential scattering in stochastic mechanics is treated and direct probabilistic methods of studying quantum scattering problems are discussed. The results provide a solid YES in answer to the second question raised above
Anisotropy in "isotropic diffusion" measurements due to nongaussian diffusion
DEFF Research Database (Denmark)
Jespersen, Sune Nørhøj; Olesen, Jonas Lynge; Ianuş, Andrada
2017-01-01
Designing novel diffusion-weighted NMR and MRI pulse sequences aiming to probe tissue microstructure with techniques extending beyond the conventional Stejskal-Tanner family is currently of broad interest. One such technique, multidimensional diffusion MRI, has been recently proposed to afford...... model-free decomposition of diffusion signal kurtosis into terms originating from either ensemble variance of isotropic diffusivity or microscopic diffusion anisotropy. This ability rests on the assumption that diffusion can be described as a sum of multiple Gaussian compartments, but this is often...
Approximate Shortest Homotopic Paths in Weighted Regions
Cheng, Siu-Wing
2010-01-01
Let P be a path between two points s and t in a polygonal subdivision T with obstacles and weighted regions. Given a relative error tolerance ε ∈(0,1), we present the first algorithm to compute a path between s and t that can be deformed to P without passing over any obstacle and the path cost is within a factor 1 + ε of the optimum. The running time is O(h 3/ε2 kn polylog(k, n, 1/ε)), where k is the number of segments in P and h and n are the numbers of obstacles and vertices in T, respectively. The constant in the running time of our algorithm depends on some geometric parameters and the ratio of the maximum region weight to the minimum region weight. © 2010 Springer-Verlag.
Reaction path simulations in multicomponent materials
International Nuclear Information System (INIS)
Seifert, H.J.
1999-01-01
The CALPHAD (calculation of phase diagrams) method is used in combination with selected experimental investigations to derive reaction paths in multicomponent systems. The method is illustrated by applying computerized thermodynamic databases and suitable software to explain quantitatively the thermal degradation of precursor-derived Si-C-N ceramics and the nitridation of titanium carbide. Reaction sequences in the Si 3 N 4 -SiC-TiC x N l-x -C-N system are illustrated by graphical representation of compatibility regions and indicated reaction paths. From these results the experimentally known microstructure development of TiC reinforced Si 3 N 4 ceramics is explained and quantitative information is provided to optimize the microstructure of such materials. The concept of reaction paths for the understanding of rapid solidification processes is shown by the example of AZ type Mg casting alloys. (orig.)
Approximate shortest homotopic paths in weighted regions
Cheng, Siuwing
2012-02-01
A path P between two points s and t in a polygonal subdivision T with obstacles and weighted regions defines a class of paths that can be deformed to P without passing over any obstacle. We present the first algorithm that, given P and a relative error tolerance ε (0, 1), computes a path from this class with cost at most 1 + ε times the optimum. The running time is O(h 3/ε 2kn polylog (k,n,1/ε)), where k is the number of segments in P and h and n are the numbers of obstacles and vertices in T, respectively. The constant in the running time of our algorithm depends on some geometric parameters and the ratio of the maximum region weight to the minimum region weight. © 2012 World Scientific Publishing Company.