Study of shear viscosity for dense plasmas by equilibrium molecular dynamics in asymmetric Yukawa ionic mixtures

Science.gov (United States)

Haxhimali, Tomorr; Rudd, Robert; Cabot, William; Graziani, Frank

2015-11-01

We present molecular dynamics (MD) calculations of shear viscosity for asymmetric mixed plasma for thermodynamic conditions relevant to astrophysical and Inertial Confinement Fusion plasmas. Specifically, we consider mixtures of deuterium and argon at temperatures of 100-500 eV and a number density of 1025 ions/cc. The motion of 30000-120000 ions is simulated in which the ions interact via the Yukawa (screened Coulomb) potential. The electric field of the electrons is included in this effective interaction. Shear viscosity is calculated using the Green-Kubo approach with an integral of the shear stress autocorrelation function, a quantity calculated in the equilibrium MD simulations. We study different mixtures with increasing fraction of the minority high-Z element (Ar) in the D-Ar plasma mixture. In the more weakly coupled plasmas, at 500 eV and low Ar fractions, results from MD compare very well with Chapman-Enskog kinetic results. We introduce a model that interpolates between a screened-plasma kinetic theory at weak coupling and the Murillo Yukawa viscosity model at higher coupling. This hybrid kinetics-MD viscosity model agrees well with the MD results over the conditions simulated. This work was performed under the auspices of the US Dept. of Energy by Lawrence Livermore National Security, LLC under Contract DE-AC52-07NA27344.

Rectified motion in an asymmetrically structured channel due to induced-charge electrokinetic and thermo-kinetic phenomena

International Nuclear Information System (INIS)

Sugioka, Hideyuki

2016-01-01

It would be advantageous to move fluid by the gradient of random thermal noises that are omnipresent in the natural world. To achieve this motion, we propose a rectifier that uses a thermal noise along with induced-charge electroosmosis and electrophoresis (ICEO and ICEP) around a metal post cylinder in an asymmetrically structured channel and numerically examine its rectification performance. By the boundary element method combined with the thin double layer approximation, we find that rectified motion occurs in the asymmetrically structured channel due to ICEO and ICEP. Further, by thermodynamical and equivalent circuit methods, we discuss a thermal voltage that drives a rectifier consisting of a fluidic channel of an electrolyte and an impedance as a noise source. Our calculations show that fluid can be moved in the asymmetrically structured channel by the fluctuation of electric fields due to a thermal noise only when there is a temperature difference. In addition, our simple noise argument provides a different perspective for the thermo-kinetic phenomena (around a metal post) which was predicted based on the electrolyte Seebeck effect in our previous paper [H. Sugioka, “Nonlinear thermokinetic phenomena due to the Seebeck effect,” Langmuir 30, 8621 (2014)

Rectified motion in an asymmetrically structured channel due to induced-charge electrokinetic and thermo-kinetic phenomena

Energy Technology Data Exchange (ETDEWEB)

Sugioka, Hideyuki, E-mail: hsugioka@shinshu-u.ac.jp [Frontier Research Center, Canon Inc. 30-2, Shimomaruko 3-chome, Ohta-ku, Tokyo 146-8501, Japan and Department of Mechanical Systems Engineering, Shinshu University 4-17-1 Wakasato, Nagano 380-8553 (Japan)

2016-02-15

It would be advantageous to move fluid by the gradient of random thermal noises that are omnipresent in the natural world. To achieve this motion, we propose a rectifier that uses a thermal noise along with induced-charge electroosmosis and electrophoresis (ICEO and ICEP) around a metal post cylinder in an asymmetrically structured channel and numerically examine its rectification performance. By the boundary element method combined with the thin double layer approximation, we find that rectified motion occurs in the asymmetrically structured channel due to ICEO and ICEP. Further, by thermodynamical and equivalent circuit methods, we discuss a thermal voltage that drives a rectifier consisting of a fluidic channel of an electrolyte and an impedance as a noise source. Our calculations show that fluid can be moved in the asymmetrically structured channel by the fluctuation of electric fields due to a thermal noise only when there is a temperature difference. In addition, our simple noise argument provides a different perspective for the thermo-kinetic phenomena (around a metal post) which was predicted based on the electrolyte Seebeck effect in our previous paper [H. Sugioka, “Nonlinear thermokinetic phenomena due to the Seebeck effect,” Langmuir 30, 8621 (2014)].

Propagation dynamics of off-axis symmetrical and asymmetrical vortices embedded in flat-topped beams

Science.gov (United States)

Zhang, Xu; Wang, Haiyan

2017-11-01

In this paper, propagation dynamics of off-axis symmetrical and asymmetrical optical vortices(OVs) embedded in flat-topped beams have been explored numerically based on rigorous scalar diffraction theory. The distribution properties of phase and intensity play an important role in driving the propagation dynamics of OVs. Numerical results show that the single off-axis vortex moves in a straight line. The displacement of the single off-axis vortex becomes smaller, when either the order of flatness N and the beam size ω0are increased or the off-axis displacement d is decreased. In addition, the phase singularities of high order vortex beams can be split after propagating a certain distance. It is also demonstrated that the movement of OVs are closely related with the spatial symmetrical or asymmetrical distribution of vortex singularities field. Multiple symmetrical and asymmetrical optical vortices(OVs) embedded in flat-topped beams can interact and rotate. The investment of the propagation dynamics of OVs may have many applications in optical micro-manipulation and optical tweezers.

Asymmetrically interacting spreading dynamics on complex layered networks.

Science.gov (United States)

Wang, Wei; Tang, Ming; Yang, Hui; Younghae Do; Lai, Ying-Cheng; Lee, GyuWon

2014-05-29

The spread of disease through a physical-contact network and the spread of information about the disease on a communication network are two intimately related dynamical processes. We investigate the asymmetrical interplay between the two types of spreading dynamics, each occurring on its own layer, by focusing on the two fundamental quantities underlying any spreading process: epidemic threshold and the final infection ratio. We find that an epidemic outbreak on the contact layer can induce an outbreak on the communication layer, and information spreading can effectively raise the epidemic threshold. When structural correlation exists between the two layers, the information threshold remains unchanged but the epidemic threshold can be enhanced, making the contact layer more resilient to epidemic outbreak. We develop a physical theory to understand the intricate interplay between the two types of spreading dynamics.

Kovacs effect and fluctuation-dissipation relations in 1D kinetically constrained models

International Nuclear Information System (INIS)

Buhot, Arnaud

2003-01-01

Strong and fragile glass relaxation behaviours are obtained simply changing the constraints of the kinetically constrained Ising chain from symmetric to purely asymmetric. We study the out-of-equilibrium dynamics of these two models focusing on the Kovacs effect and the fluctuation-dissipation (FD) relations. The Kovacs or memory effect, commonly observed in structural glasses, is present for both constraints but enhanced with the asymmetric ones. Most surprisingly, the related FD relations satisfy the FD theorem in both cases. This result strongly differs from the simple quenching procedure where the asymmetric model presents strong deviations from the FD theorem

Asymmetric Rolling Process Simulations by Dynamic Explicit Crystallographic Homogenized Finite Element Method

International Nuclear Information System (INIS)

Ngoc Tam, Nguyen; Nakamura, Yasunori; Terao, Toshihiro; Kuramae, Hiroyuki; Nakamachi, Eiji; Sakamoto, Hidetoshi; Morimoto, Hideo

2007-01-01

Recently, the asymmetric rolling (ASR) has been applied to the material processing of aluminum alloy sheet to control micro-crystal structure and texture in order to improve the mechanical properties. Previously, several studies aimed at high formability sheet generation have been carried out experimentally, but finite element simulations to predict the deformation induced texture evolution of the asymmetrically rolled sheet metals have not been investigated rigorously. In this study, crystallographic homogenized finite element (FE) codes are developed and applied to analyze the asymmetrical rolling processes. The textures of sheet metals were measured by electron back scattering diffraction (EBSD), and compared with FE simulations. The results from the dynamic explicit type Crystallographic homogenization FEM code shows that this type of simulation is a comprehensive tool to predict the plastic induced texture evolution

Inflationary dynamics of kinetically-coupled gauge fields

DEFF Research Database (Denmark)

Ferreira, Ricardo J. Z.; Ganc, Jonathan

2015-01-01

We investigate the inflationary dynamics of two kinetically-coupled massless U(1) gauge fields with time-varying kinetic-term coefficients. Ensuring that the system does not have strongly coupled regimes shrinks the parameter space. Also, we further restrict ourselves to systems that can be quant......We investigate the inflationary dynamics of two kinetically-coupled massless U(1) gauge fields with time-varying kinetic-term coefficients. Ensuring that the system does not have strongly coupled regimes shrinks the parameter space. Also, we further restrict ourselves to systems that can...... be quantized using the standard creation, annihilation operator algebra. This second constraint limits us to scenarios where the system can be diagonalized into the sum of two decoupled, massless, vector fields with a varying kinetic-term coefficient. Such a system might be interesting for magnetogenesis...... because of how the strong coupling problem generalizes. We explore this idea by assuming that one of the gauge fields is the Standard Model U(1) field and that the other dark gauge field has no particles charged under its gauge group. We consider whether it would be possible to transfer a magnetic field...

High-speed Dynamic Gait Generation Based on Asymmetrization of Impact Posture Using Telescopic Legs

OpenAIRE

浅野, 文彦

2011-01-01

This paper proposes a novel method for generating a dynamic gait based on anterior-posterior asymmetric impact posture tilting the robo's center of mass forward. The primary purpose of this method is to asymmetrize the impact posture by actuating the robot's telescopic-legs to make overcoming the potential barrier at mid-stance easy, and the mechanical energy is accordingly restored. First, we introduce a planar rimless wheel model with telescopic legs, and investigate the validity of the sta...

Exact stationary state for an asymmetric exclusion process with fully parallel dynamics

NARCIS (Netherlands)

Gier, J.C.|info:eu-repo/dai/nl/170218430; Nienhuis, B.

The exact stationary state of an asymmetric exclusion process with fully parallel dynamics is obtained using the matrix product ansatz. We give a simple derivation for the deterministic case by a physical interpretation of the dimension of the matrices. We prove the stationarity via a cancellation

Point vortex modelling of the wake dynamics behind asymmetric vortex generator arrays

NARCIS (Netherlands)

Baldacchino, D.; Simao Ferreira, C.; Ragni, D.; van Bussel, G.J.W.

2016-01-01

In this work, we present a simple inviscid point vortex model to study the dynamics of asymmetric vortex rows, as might appear behind misaligned vortex generator vanes. Starting from the existing solution of the in_nite vortex cascade, a numerical model of four base-vortices is chosen to represent

Mesoscopic dynamics of diffusion-influenced enzyme kinetics.

Science.gov (United States)

Chen, Jiang-Xing; Kapral, Raymond

2011-01-28

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t(-1/2) and t(-3/2) power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.

Mesoscopic dynamics of diffusion-influenced enzyme kinetics

Science.gov (United States)

Chen, Jiang-Xing; Kapral, Raymond

2011-01-01

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t^{-1/2} and t^{-3/2} power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.

A dynamic game of a transboundary pollutant with asymmetric players

International Nuclear Information System (INIS)

Martin, W.E.; Patrick, R.H.; Tolwinski, B.

1993-01-01

Modeling transboundary pollutants in a dynamic game framework provides a foundation for analyzing the impact of various policy options. The focus of this analysis is on the results of a tax/subsidy scheme used to address the transboundary problem of global climate change. A nonzero-sum dynamic game with asymmetric players is used to evaluate the policy impact of the tax/subsidy scheme on the respective player's value functions and strategies as determined by a Nash equilibrium feedback solution. The asymmetry of the players is reflected in their respective attitudes toward global climate change with one player benefiting from the change and the other losing. 17 refs., 5 tabs

Asymmetric ratchet effect for directional transport of fog drops on static and dynamic butterfly wings.

Science.gov (United States)

Liu, Chengcheng; Ju, Jie; Zheng, Yongmei; Jiang, Lei

2014-02-25

Inspired by novel creatures, researchers have developed varieties of fog drop transport systems and made significant contributions to the fields of heat transferring, water collecting, antifogging, and so on. Up to now, most of the efforts in directional fog drop transport have been focused on static surfaces. Considering it is not practical to keep surfaces still all the time in reality, conducting investigations on surfaces that can transport fog drops in both static and dynamic states has become more and more important. Here we report the wings of Morpho deidamia butterflies can directionally transport fog drops in both static and dynamic states. This directional drop transport ability results from the micro/nano ratchet-like structure of butterfly wings: the surface of butterfly wings is composed of overlapped scales, and the scales are covered with porous asymmetric ridges. Influenced by this special structure, fog drops on static wings are transported directionally as a result of the fog drops' asymmetric growth and coalescence. Fog drops on vibrating wings are propelled directionally due to the fog drops' asymmetric dewetting from the wings.

Fractional neutron point kinetics equations for nuclear reactor dynamics

International Nuclear Information System (INIS)

Espinosa-Paredes, Gilberto; Polo-Labarrios, Marco-A.; Espinosa-Martinez, Erick-G.; Valle-Gallegos, Edmundo del

2011-01-01

The fractional point-neutron kinetics model for the dynamic behavior in a nuclear reactor is derived and analyzed in this paper. The fractional model retains the main dynamic characteristics of the neutron motion in which the relaxation time associated with a rapid variation in the neutron flux contains a fractional order, acting as exponent of the relaxation time, to obtain the best representation of a nuclear reactor dynamics. The physical interpretation of the fractional order is related with non-Fickian effects from the neutron diffusion equation point of view. The numerical approximation to the solution of the fractional neutron point kinetics model, which can be represented as a multi-term high-order linear fractional differential equation, is calculated by reducing the problem to a system of ordinary and fractional differential equations. The numerical stability of the fractional scheme is investigated in this work. Results for neutron dynamic behavior for both positive and negative reactivity and for different values of fractional order are shown and compared with the classic neutron point kinetic equations. Additionally, a related review with the neutron point kinetics equations is presented, which encompasses papers written in English about this research topic (as well as some books and technical reports) published since 1940 up to 2010.

Asymmetric kinetic equilibria: Generalization of the BAS model for rotating magnetic profile and non-zero electric field

Science.gov (United States)

Dorville, Nicolas; Belmont, Gérard; Aunai, Nicolas; Dargent, Jérémy; Rezeau, Laurence

2015-09-01

Finding kinetic equilibria for non-collisional/collisionless tangential current layers is a key issue as well for their theoretical modeling as for our understanding of the processes that disturb them, such as tearing or Kelvin Helmholtz instabilities. The famous Harris equilibrium [E. Harris, Il Nuovo Cimento Ser. 10 23, 115-121 (1962)] assumes drifting Maxwellian distributions for ions and electrons, with constant temperatures and flow velocities; these assumptions lead to symmetric layers surrounded by vacuum. This strongly particular kind of layer is not suited for the general case: asymmetric boundaries between two media with different plasmas and different magnetic fields. The standard method for constructing more general kinetic equilibria consists in using Jeans theorem, which says that any function depending only on the Hamiltonian constants of motion is a solution to the steady Vlasov equation [P. J. Channell, Phys. Fluids (1958-1988) 19, 1541 (1976); M. Roth et al., Space Sci. Rev. 76, 251-317 (1996); and F. Mottez, Phys. Plasmas 10, 1541-1545 (2003)]. The inverse implication is however not true: when using the motion invariants as variables instead of the velocity components, the general stationary particle distributions keep on depending explicitly of the position, in addition to the implicit dependence introduced by these invariants. The standard approach therefore strongly restricts the class of solutions to the problem and probably does not select the most physically reasonable. The BAS (Belmont-Aunai-Smets) model [G. Belmont et al., Phys. Plasmas 19, 022108 (2012)] used for the first time the concept of particle accessibility to find new solutions: considering the case of a coplanar-antiparallel magnetic field configuration without electric field, asymmetric solutions could be found while the standard method can only lead to symmetric ones. These solutions were validated in a hybrid simulation [N. Aunai et al., Phys. Plasmas (1994-present) 20

Asymmetric kinetic equilibria: Generalization of the BAS model for rotating magnetic profile and non-zero electric field

International Nuclear Information System (INIS)

Dorville, Nicolas; Belmont, Gérard; Aunai, Nicolas; Dargent, Jérémy; Rezeau, Laurence

2015-01-01

Finding kinetic equilibria for non-collisional/collisionless tangential current layers is a key issue as well for their theoretical modeling as for our understanding of the processes that disturb them, such as tearing or Kelvin Helmholtz instabilities. The famous Harris equilibrium [E. Harris, Il Nuovo Cimento Ser. 10 23, 115–121 (1962)] assumes drifting Maxwellian distributions for ions and electrons, with constant temperatures and flow velocities; these assumptions lead to symmetric layers surrounded by vacuum. This strongly particular kind of layer is not suited for the general case: asymmetric boundaries between two media with different plasmas and different magnetic fields. The standard method for constructing more general kinetic equilibria consists in using Jeans theorem, which says that any function depending only on the Hamiltonian constants of motion is a solution to the steady Vlasov equation [P. J. Channell, Phys. Fluids (1958–1988) 19, 1541 (1976); M. Roth et al., Space Sci. Rev. 76, 251–317 (1996); and F. Mottez, Phys. Plasmas 10, 1541–1545 (2003)]. The inverse implication is however not true: when using the motion invariants as variables instead of the velocity components, the general stationary particle distributions keep on depending explicitly of the position, in addition to the implicit dependence introduced by these invariants. The standard approach therefore strongly restricts the class of solutions to the problem and probably does not select the most physically reasonable. The BAS (Belmont-Aunai-Smets) model [G. Belmont et al., Phys. Plasmas 19, 022108 (2012)] used for the first time the concept of particle accessibility to find new solutions: considering the case of a coplanar-antiparallel magnetic field configuration without electric field, asymmetric solutions could be found while the standard method can only lead to symmetric ones. These solutions were validated in a hybrid simulation [N. Aunai et al., Phys. Plasmas (1994-present

Fold catastrophe model of dynamic pillar failure in asymmetric mining

Energy Technology Data Exchange (ETDEWEB)

Yue Pan; Ai-wu Li; Yun-song Qi [Qingdao Technological University, Qingdao (China). College of Civil Engineering

2009-01-15

A rock burst disaster not only destroys the pit facilities and results in economic loss but it also threatens the life of the miners. Pillar rock burst has a higher frequency of occurrence in the pit compared to other kinds of rock burst. Understanding the cause, magnitude and prevention of pillar rock burst is a significant undertaking. Equations describing the bending moment and displacement of the rock beam in asymmetric mining have been deduced for simplified asymmetric beam-pillar systems. Using the symbolic operation software MAPLE 9.5 a catastrophe model of the dynamic failure of an asymmetric rock-beam pillar system has been established. The differential form of the total potential function deduced from the law of conservation of energy was used for this deduction. The critical conditions and the initial and final positions of the pillar during failure have been given in analytical form. The amount of elastic energy released by the rock beam at the instant of failure is determined as well. A diagrammatic form showing the pillar failure was plotted using MATLAB software. This graph contains a wealth of information and is important for understanding the behavior during each deformation phase of the rock-beam pillar system. The graphic also aids in distinguishing the equivalent stiffness of the rock beam in different directions. 11 refs., 8 figs.

Dynamic characterization of silicon nanowires using a terahertz optical asymmetric demultiplexer-based pump-probe scheme

DEFF Research Database (Denmark)

Ji, Hua; Cleary, C. S.; Dailey, J. M.

2012-01-01

Dynamic phase and amplitude all-optical responses of silicon nanowires are characterized using a terahertz optical asymmetric demultiplexer (TOAD) based pump-probe scheme. Ultra-fast recovery is observed for moderate pump powers....

Total dynamic response of a PSS vehicle negotiating asymmetric road excitations

Science.gov (United States)

Zhu, Jian Jun; Khajepour, Amir; Esmailzadeh, Ebrahim

2012-12-01

A planar suspension system (PSS) is a novel automobile suspension system in which an individual spring-damper strut is implemented in both the vertical and longitudinal directions, respectively. The wheels in a vehicle with such a suspension system can move back and forth relative to the chassis. When a PSS vehicle experiences asymmetric road excitations, the relative longitudinal motion of wheels with respect to the chassis in two sides of the same axle are not identical, and thus the two wheels at one axle will not be aligned in the same axis. The total dynamic responses, including those of the bounce, pitch and the roll of the PSS vehicle, to the asymmetric road excitation may exhibit different characteristics from those of a conventional vehicle. This paper presents an investigation into the comprehensive dynamic behaviour of a vehicle with the PSS, in such a road condition, on both the straight and curved roads. The study was carried out using an 18 DOF full-car model incorporating a radial-spring tyre-ground contact model and a 2D tyre-ground dynamic friction model. Results demonstrate that the total dynamic behaviour of a PSS vehicle is generally comparable with that of the conventional vehicle, while PSS exhibits significant improvement in absorbing the impact forces along the longitudinal direction when compared to the conventional suspension system. The PSS vehicle is found to be more stable than the conventional vehicle in terms of the directional performance against the disturbance of the road potholes on a straight line manoeuvre, while exhibiting a very similar handling performance on a curved line.

Molecular Dynamics Simulations of Kinetic Models for Chiral Dominance in Soft Condensed Matter

DEFF Research Database (Denmark)

Toxvaerd, Søren

2001-01-01

Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality......Molecular dynamics simulation, models for isomerization kinetics, origin of biomolecular chirality...

Tandem rhodium catalysis: exploiting sulfoxides for asymmetric transition-metal catalysis.

Science.gov (United States)

Kou, K G M; Dong, V M

2015-06-07

Sulfoxides are uncommon substrates for transition-metal catalysis due to their propensity to inhibit catalyst turnover. In a collaborative effort with Ken Houk, we developed the first dynamic kinetic resolution (DKR) of allylic sulfoxides using asymmetric rhodium-catalyzed hydrogenation. A detailed mechanistic analysis of this transformation using both experimental and theoretical methods revealed rhodium to be a tandem catalyst that promoted both hydrogenation of the alkene and racemization of the allylic sulfoxide. Using a combination of deuterium labelling and DFT studies, a novel mode of allylic sulfoxide racemization via a Rh(III)-π-allyl intermediate was identified.

Frobenius–Perron eigenstates in deformed microdisk cavities: non-Hermitian physics and asymmetric backscattering in ray dynamics

International Nuclear Information System (INIS)

Kullig, Julius; Wiersig, Jan

2016-01-01

In optical microdisk cavities with boundary deformations the backscattering between clockwise and counter-clockwise propagating waves is in general asymmetric. The striking consequence of this asymmetry is that these apparently weakly open systems show pronounced non-Hermitian phenomena. The optical modes appear in non-orthogonal pairs, where both modes copropagate in a preferred sense of rotation, i.e. the modes exhibit a finite chirality. Full asymmetry in the backscattering results in a non-Hermitian degeneracy (exceptional point) where the deviation from closed system evolution is strongest. We study the effects of asymmetric backscattering in ray dynamics. For this purpose, we construct a finite approximation of the Frobenius–Perron operator for deformed microdisk cavities, which describes the dynamics of intensities in phase space. Eigenstates of the Frobenius–Perron operator show nice analogies to optical modes: they come in non-orthogonal copropagating pairs and have a finite chirality. We introduce a new cavity system with a smooth asymmetric boundary deformation where we demonstrate our results and we illustrate the main aspects with the help of a simple analytically solvable 1D model. (paper)

Flight Dynamic Simulation of Fighter In the Asymmetric External Store Release Process

Science.gov (United States)

Safi’i, Imam; Arifianto, Ony; Nurohman, Chandra

2018-04-01

In the fighter design, it is important to evaluate and analyze the flight dynamic of the aircraft earlier in the development process. One of the case is the dynamics of external store release process. A simulation tool can be used to analyze the fighter/external store system’s dynamics in the preliminary design stage. This paper reports the flight dynamics of Jet Fighter Experiment (JF-1 E) in asymmetric Advance Medium Range Air to Air Missile (AMRAAM) release process through simulations. The JF-1 E and AIM 120 AMRAAAM models are built by using Advanced Aircraft Analysis (AAA) and Missile Datcom software. By using these softwares, the aerodynamic stability and control derivatives can be obtained and used to model the dynamic characteristic of the fighter and the external store. The dynamic system is modeled by using MATLAB/Simulink software. By using this software, both the fighter/external store integration and the external store release process is simulated, and the dynamic of the system can be analyzed.

Does asymmetric correlation affect portfolio optimization?

Science.gov (United States)

Fryd, Lukas

2017-07-01

The classical portfolio optimization problem does not assume asymmetric behavior of relationship among asset returns. The existence of asymmetric response in correlation on the bad news could be important information in portfolio optimization. The paper applies Dynamic conditional correlation model (DCC) and his asymmetric version (ADCC) to propose asymmetric behavior of conditional correlation. We analyse asymmetric correlation among S&P index, bonds index and spot gold price before mortgage crisis in 2008. We evaluate forecast ability of the models during and after mortgage crisis and demonstrate the impact of asymmetric correlation on the reduction of portfolio variance.

Key factors of combustion from kinetics to gas dynamics

CERN Document Server

Rubtsov, Nikolai M

2017-01-01

This book summarizes the main advances in the mechanisms of combustion processes. It focuses on the analysis of kinetic mechanisms of gas combustion processes and experimental investigation into the interrelation of kinetics and gas dynamics in gas combustion. The book is complimentary to the one previously published, The Modes of Gaseous Combustion.

Topological and kinetic determinants of the modal matrices of dynamic models of metabolism.

Directory of Open Access Journals (Sweden)

Bin Du

Full Text Available Large-scale kinetic models of metabolism are becoming increasingly comprehensive and accurate. A key challenge is to understand the biochemical basis of the dynamic properties of these models. Linear analysis methods are well-established as useful tools for characterizing the dynamic response of metabolic networks. Central to linear analysis methods are two key matrices: the Jacobian matrix (J and the modal matrix (M-1 arising from its eigendecomposition. The modal matrix M-1 contains dynamically independent motions of the kinetic model near a reference state, and it is sparse in practice for metabolic networks. However, connecting the structure of M-1 to the kinetic properties of the underlying reactions is non-trivial. In this study, we analyze the relationship between J, M-1, and the kinetic properties of the underlying network for kinetic models of metabolism. Specifically, we describe the origin of mode sparsity structure based on features of the network stoichiometric matrix S and the reaction kinetic gradient matrix G. First, we show that due to the scaling of kinetic parameters in real networks, diagonal dominance occurs in a substantial fraction of the rows of J, resulting in simple modal structures with clear biological interpretations. Then, we show that more complicated modes originate from topologically-connected reactions that have similar reaction elasticities in G. These elasticities represent dynamic equilibrium balances within reactions and are key determinants of modal structure. The work presented should prove useful towards obtaining an understanding of the dynamics of kinetic models of metabolism, which are rooted in the network structure and the kinetic properties of reactions.

Emergence of dynamic cooperativity in the stochastic kinetics of fluctuating enzymes

International Nuclear Information System (INIS)

Kumar, Ashutosh; Chatterjee, Sambarta; Nandi, Mintu; Dua, Arti

2016-01-01

Dynamic co-operativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic conformational fluctuations. Recent advances in single-molecule fluorescence spectroscopy have provided new fundamental insights on the possible mechanisms underlying reactions catalyzed by fluctuating enzymes. Here, we present a bottom-up approach to understand enzyme turnover kinetics at physiologically relevant mesoscopic concentrations informed by mechanisms extracted from single-molecule stochastic trajectories. The stochastic approach, presented here, shows the emergence of dynamic co-operativity in terms of a slowing down of the Michaelis-Menten (MM) kinetics resulting in negative co-operativity. For fewer enzymes, dynamic co-operativity emerges due to the combined effects of enzymatic conformational fluctuations and molecular discreteness. The increase in the number of enzymes, however, suppresses the effect of enzymatic conformational fluctuations such that dynamic co-operativity emerges solely due to the discrete changes in the number of reacting species. These results confirm that the turnover kinetics of fluctuating enzyme based on the parallel-pathway MM mechanism switches over to the single-pathway MM mechanism with the increase in the number of enzymes. For large enzyme numbers, convergence to the exact MM equation occurs in the limit of very high substrate concentration as the stochastic kinetics approaches the deterministic behaviour.

Emergence of dynamic cooperativity in the stochastic kinetics of fluctuating enzymes

Energy Technology Data Exchange (ETDEWEB)

Kumar, Ashutosh; Chatterjee, Sambarta; Nandi, Mintu; Dua, Arti, E-mail: arti@iitm.ac.in [Department of Chemistry, Indian Institute of Technology, Madras, Chennai 600036 (India)

2016-08-28

Dynamic co-operativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic conformational fluctuations. Recent advances in single-molecule fluorescence spectroscopy have provided new fundamental insights on the possible mechanisms underlying reactions catalyzed by fluctuating enzymes. Here, we present a bottom-up approach to understand enzyme turnover kinetics at physiologically relevant mesoscopic concentrations informed by mechanisms extracted from single-molecule stochastic trajectories. The stochastic approach, presented here, shows the emergence of dynamic co-operativity in terms of a slowing down of the Michaelis-Menten (MM) kinetics resulting in negative co-operativity. For fewer enzymes, dynamic co-operativity emerges due to the combined effects of enzymatic conformational fluctuations and molecular discreteness. The increase in the number of enzymes, however, suppresses the effect of enzymatic conformational fluctuations such that dynamic co-operativity emerges solely due to the discrete changes in the number of reacting species. These results confirm that the turnover kinetics of fluctuating enzyme based on the parallel-pathway MM mechanism switches over to the single-pathway MM mechanism with the increase in the number of enzymes. For large enzyme numbers, convergence to the exact MM equation occurs in the limit of very high substrate concentration as the stochastic kinetics approaches the deterministic behaviour.

Emergence of dynamic cooperativity in the stochastic kinetics of fluctuating enzymes

Science.gov (United States)

Kumar, Ashutosh; Chatterjee, Sambarta; Nandi, Mintu; Dua, Arti

2016-08-01

Dynamic co-operativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic conformational fluctuations. Recent advances in single-molecule fluorescence spectroscopy have provided new fundamental insights on the possible mechanisms underlying reactions catalyzed by fluctuating enzymes. Here, we present a bottom-up approach to understand enzyme turnover kinetics at physiologically relevant mesoscopic concentrations informed by mechanisms extracted from single-molecule stochastic trajectories. The stochastic approach, presented here, shows the emergence of dynamic co-operativity in terms of a slowing down of the Michaelis-Menten (MM) kinetics resulting in negative co-operativity. For fewer enzymes, dynamic co-operativity emerges due to the combined effects of enzymatic conformational fluctuations and molecular discreteness. The increase in the number of enzymes, however, suppresses the effect of enzymatic conformational fluctuations such that dynamic co-operativity emerges solely due to the discrete changes in the number of reacting species. These results confirm that the turnover kinetics of fluctuating enzyme based on the parallel-pathway MM mechanism switches over to the single-pathway MM mechanism with the increase in the number of enzymes. For large enzyme numbers, convergence to the exact MM equation occurs in the limit of very high substrate concentration as the stochastic kinetics approaches the deterministic behaviour.

Study of 235U very asymmetric thermal fission

International Nuclear Information System (INIS)

Sida, J.L.

1989-12-01

The fission fragment separator Lohengrin of the Institut Laue-Langevin in Grenoble was used to determine the yields of the very asymmetric light fission products (A=84-69) as a function of A, Z, and the kinetic energy E. The proton pairing effect causes fine structures in the mass distribution, in the mean nuclear charge anti Z and its variance σ z , and in the mean kinetic energies of the elements. The neutron pairing effect in the production yields is found for the first time of the same order of magnitude than the proton pairing effect. In the mass region investigated both are the largest observed in fission of 235 U. A decrease in the mean kinetic energy for the isotopes of Ni and Cu was observed. It points to a large deformation at scission. Our results support the view that very asymmetric low-energy fission is a weakly dissipative process. The highly deformed transient system breaks by a slow necking-in process [fr

Order, viscoelastic, and dielectric properties of symmetric and asymmetric alkyl[1]benzothieno[3,2-b][1]benzothiophenes.

Science.gov (United States)

Grigoriadis, Christos; Niebel, Claude; Ruzié, Christian; Geerts, Yves H; Floudas, George

2014-02-06

The morphology, the viscoelastic, the dielectric properties and the dynamics of phase transformation are studied in symmetrically and asymmetrically substituted alkyl[1]benzothieno[3,2-b][1]benzothiophenes (C8-BTBT) by X-ray scattering, rheology, and dielectric spectroscopy. The interlayer spacing reflects the molecular and supramolecular ordering, respectively, in the symmetrically and asymmetrically substituted BTBTs. In the asymmetric BTBT, the core layer is double in size with a broader network of intermolecular interactions though the increased S-S contacts that is prerequisite for the development of high performance OFET devices. Two crystal states with elastic and viscoelastic responses were identified in the symmetric compound. In contrast, the SmA phase in the asymmetric compound is a viscoelastic solid. A path-dependent dielectric environment with a switchable dielectric permittivity was found in both compounds by cooling below 0 °C with possible implications to charge transport. The kinetics of phase transformation to the crystalline and SmA phases revealed a nucleation and growth mechanism with rates dominated by the low activation barriers.

Reaction dynamics of the four-centered elimination CH2OH + --> CHO + +H2: Measurement of kinetic energy release distribution and classical trajectory calculation

Science.gov (United States)

Lee, Tae Geol; Park, Seung C.; Kim, Myung Soo

1996-03-01

Mass-analyzed ion kinetic energy (MIKE) spectrum of CHO+ generated in the unimolecular dissociation of CH2OH+ was measured. Kinetic energy release distribution (KERD) was evaluated by analyzing the spectrum according to the algorithm developed previously. The average kinetic energy release evaluated from the distribution was extraordinarily large, 1.63 eV, corresponding to 75% of the reverse barrier of the reaction. A global analytical potential energy surface was constructed such that the experimental energetics was represented and that various features in the ab initio potential energy surface were closely reproduced. Classical trajectory calculation was carried out with the global analytical potential energy surface to investigate the causes for the extraordinarily large kinetic energy release. Based on the detailed dynamical calculations, it was found that the strained bending forces at the transition state and strengthening of the CO bond from double to triple bond character were mainly responsible for such a significant kinetic energy release. In addition, the dissociation products H2 and CHO+ ion were found to be rotationally excited in the trajectory calculations. This was attributed to the asymmetry of the transition state and the release of asymmetric bending forces. Also, the bending vibrational modes of CHO+ and the H2 stretching mode, which are coupled with the bending coordinates, were found to be moderately excited.

Analysis of Dynamical Characteristic of Piecewise-Nonlinear Asymmetric Hysteretic System Based on Incremental Harmonic Balance Method

Directory of Open Access Journals (Sweden)

H. R. Liu

2015-01-01

Full Text Available Considering a sort of elastic mass with asymmetric hysteresis characteristic which widespread existing in engineering field, a piecewise-nonlinear dynamical equation, which contains asymmetric hysteretic loop, is established. By using the method of Incremental Harmonic Balance (IHB, the analytic linearized algebraic equation of the system is obtained. On the basis of this algebraic equation, the coefficients of the algebraic expression are figured out by the incremental procedure and the iterative process of the regulated variable. Through the emulation, the amplitude frequency response curve and the relation between the value of the harmonic component and the external excitation are researched; the bistable regions of the bifurcation diagram of the system under the variation of the excitation amplitude are studied. The above results can be used to guide the research of the asymmetric hysteretic system with polynomial expression.

Solution of the 6th dynamic AER benchmark using the coupled core DYN3D/ATHLET

International Nuclear Information System (INIS)

Seidel, A.; Kliem, S.

2001-01-01

The 6 th dynamic benchmark is a logical continuation of the work to validate systematically coupled neutron kinetics/thermohydraulics code systems for the estimation of the transient behaviour of WWER type nuclear power plant which was started in the 5 th dynamic benchmark. This benchmark concerns a double ended break of the main steam line (asymmetrical MSLB) in a WWER plant. The core is at the end of first cycle in full power conditions. The asymmetric leak causes a different depressurization of all steam generators. New features in comparison to the 5 th dynamic benchmark were included: asymmetric operation of the feed water system, consideration of incomplete coolant mixing in the reactor vessel, and the definition of a fixed isothermal recriticality temperature for normalising the nuclear data (Authors)

Elastic Characterization of Transversely Isotropic Soft Materials by Dynamic Shear and Asymmetric Indentation

OpenAIRE

Namani, R.; Feng, Y.; Okamoto, R. J.; Jesuraj, N.; Sakiyama-Elbert, S. E.; Genin, G. M.; Bayly, P. V.

2012-01-01

The mechanical characterization of soft anisotropic materials is a fundamental challenge because of difficulties in applying mechanical loads to soft matter and the need to combine information from multiple tests. A method to characterize the linear elastic properties of transversely isotropic soft materials is proposed, based on the combination of dynamic shear testing (DST) and asymmetric indentation. The procedure was demonstrated by characterizing a nearly incompressible transversely isot...

Asymmetric correlations in the ozone concentration dynamics of the Mexico City Metropolitan Area

Science.gov (United States)

Meraz, M.; Alvarez-Ramirez, J.; Echeverria, J. C.

2017-04-01

Mexico City is a megalopolis with severe pollution problems caused by vehicles and industrial activity. This condition imposes important risks to human health and economic activity. Based on hourly-sampled data during the last decade, in a recent work (Meraz et al., 2015) we showed that the pollutant dynamics in Mexico City exhibits long-term and scale-dependent persistence effects resulting from the combination of pollutants generation by vehicles and removal by advection mechanisms. In this work, we analyzed the dynamics of ozone, a key component reflecting the degree of atmospheric contamination, to determine if its long-term correlations are asymmetric in relation to the actual concentration trend (increasing or decreasing). The analysis is conducted with detrended fluctuation analysis. The results showed that the average ozone dynamics is uncorrelated when the concentration is increasing. In contrast, the ozone dynamics shows long-term anti-persistence effects when the concentration is decreasing.

Spacecraft observations of a Maxwell Demon coating the separatrix of asymmetric magnetic reconnection with crescent-shaped electron distributions

Science.gov (United States)

Egedal, J.; Le, A.; Daughton, W.; Wetherton, B.; Cassak, Pa; Chen, Lj; Lavraud, B.; Dorell, J.; Avanov, L.; Gershman, D.

2016-10-01

During asymmetric magnetic reconnection in the dayside magnetopause in situ spacecraft mea- surements show that electrons from the high density inflow penetrate some distance into the low density inflow. Supported by a kinetic simulation, we present a general derivation of an exclusion energy parameter, which provides a lower kinetic energy bound for an electron to jump across the reconnection region from one inflow region to the other. As by a Maxwell Demon, only high energy electrons are permitted to cross the inner reconnection region, strongly impacting the form of the electron distribution function observed along the low density side separatrix. The dynamics produce two distinct flavors of crescent-shaped electron distributions in a thin boundary layer along the separatrix between the magnetospheric inflow and the reconnection exhaust. The analytical model presented relates these salient details of the distribution function to the electron dynamics in the inner reconnection region.

Dynamic positron emission tomography image restoration via a kinetics-induced bilateral filter.

Directory of Open Access Journals (Sweden)

Zhaoying Bian

Full Text Available Dynamic positron emission tomography (PET imaging is a powerful tool that provides useful quantitative information on physiological and biochemical processes. However, low signal-to-noise ratio in short dynamic frames makes accurate kinetic parameter estimation from noisy voxel-wise time activity curves (TAC a challenging task. To address this problem, several spatial filters have been investigated to reduce the noise of each frame with noticeable gains. These filters include the Gaussian filter, bilateral filter, and wavelet-based filter. These filters usually consider only the local properties of each frame without exploring potential kinetic information from entire frames. Thus, in this work, to improve PET parametric imaging accuracy, we present a kinetics-induced bilateral filter (KIBF to reduce the noise of dynamic image frames by incorporating the similarity between the voxel-wise TACs using the framework of bilateral filter. The aim of the proposed KIBF algorithm is to reduce the noise in homogeneous areas while preserving the distinct kinetics of regions of interest. Experimental results on digital brain phantom and in vivo rat study with typical (18F-FDG kinetics have shown that the present KIBF algorithm can achieve notable gains over other existing algorithms in terms of quantitative accuracy measures and visual inspection.

Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

Science.gov (United States)

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

2018-06-13

An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

Monte Carlo simulation of asymmetrical growth of cube-shaped nanoparticles

International Nuclear Information System (INIS)

Wang Yuanyuan; Xie Huaqing; Wu Zihua; Xing Jiaojiao

2016-01-01

We simulated the asymmetrical growth of cube-shaped nanoparticles by applying the Monte Carlo method. The influence of the specific mechanisms on the crystal growth of nanoparticles has been phenomenologically described by efficient growth possibilities along different directions (or crystal faces). The roles of the thermodynamic and kinetic factors have been evaluated in three phenomenological models. The simulation results would benefit the understanding about the cause and manner of the asymmetrical growth of nanoparticles. (paper)

Chaos of several typical asymmetric systems

International Nuclear Information System (INIS)

Feng Jingjing; Zhang Qichang; Wang Wei

2012-01-01

The threshold for the onset of chaos in asymmetric nonlinear dynamic systems can be determined using an extended Padé method. In this paper, a double-well asymmetric potential system with damping under external periodic excitation is investigated, as well as an asymmetric triple-well potential system under external and parametric excitation. The integrals of Melnikov functions are established to demonstrate that the motion is chaotic. Threshold values are acquired when homoclinic and heteroclinic bifurcations occur. The results of analytical and numerical integration are compared to verify the effectiveness and feasibility of the analytical method.

Energy capture and storage in asymmetrically multistable modular structures inspired by skeletal muscle

Science.gov (United States)

Kidambi, Narayanan; Harne, Ryan L.; Wang, K. W.

2017-08-01

The remarkable versatility and adaptability of skeletal muscle that arises from the assembly of its nanoscale cross-bridges into micro-scale assemblies known as sarcomeres provides great inspiration for the development of advanced adaptive structures and material systems. Motivated by the capability of cross-bridges to capture elastic strain energy to improve the energetic efficiency of sudden movements and repeated motions, and by models of cross-bridge power stroke motions and sarcomere contractile behaviors that incorporate asymmetric, bistable potential energy landscapes, this research develops and studies modular mechanical structures that trap and store energy in higher-energy configurations. Modules exhibiting tailorable asymmetric bistability are first designed and fabricated, revealing how geometric parameters influence the asymmetry of the resulting double-well energy landscapes. These experimentally-observed characteristics are then investigated with numerical and analytical methods to characterize the dynamics of asymmetrically bistable modules. The assembly of such modules into greater structures generates complex, multi-well energy landscapes with stable system configurations exhibiting different quantities of stored elastic potential energy. Dynamic analyses illustrate the ability of these structures to capture a portion of the initial kinetic energy due to impulsive excitations as recoverable strain potential energy, and reveal how stiffness parameters, damping, and the presence of thermal noise in micro- and nano-scale applications influence energy capture behaviors. The insights gained could foster the development of advanced structural/material systems inspired by skeletal muscle, including actuators that effectively capture, store, and release energy, as well as adaptive, robust, and reusable armors and protective devices.

γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.

Science.gov (United States)

Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara

2016-02-14

The synthesis of new enantiopure syn- and anti-3-(α-aminobenzyl)-benzo-γ-sultam ligands 6 and their application in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation (ATH) of ketones using formic acid/triethylamine is described. In particular, benzo-fused cyclic ketones afforded excellent enantioselectivities in reasonable time employing a low loading of the syn ligand-containing catalyst. A never-before-seen dynamic kinetic resolution (DKR) during reduction of a γ-keto carboxylic ester (S7) derivative of 1-indanone is realized leading as well to excellent induction.

Asymmetric correlation of sovereign bond yield dynamics in the Eurozone

Directory of Open Access Journals (Sweden)

Dajcman Silvo

2013-01-01

Full Text Available This paper examines the symmetry of correlation of sovereign bond yield dynamics between eight Eurozone countries (Austria, Belgium, France, Germany, Ireland, Italy, Portugal, and Spain in the period from January 3, 2000 to August 31, 2011. Asymmetry of correlation is investigated pair-wise by applying the test of Yongmiao Hong, Jun Tu, and Guofu Zhou (2007. Whereas the test of Hong, Tu, and Zhou (2007 is static, the present paper provides also a dynamic version of the test and identifies time periods when the correlation of Eurozone sovereign bond yield dynamics became asymmetric. We identified seven pairs of sovereign bond markets for which the null hypothesis of symmetry in correlation of sovereign bond yield dynamics can be rejected. Calculating rolling-window exceedance correlation, we found that the time-varying upper- (i.e. for positive yield changes and lower-tail correlations (i.e. for negative yield changes for pair-wise observed sovereign bond markets normally follow each other closely, yet during some time periods (for most pair-wise observed countries, these periods are around the September 11 attack on the New York City WTC and around the start of the Greek debt crisis the difference in correlation does increase. The results show that the upper- and lower-tail correlation was symmetric before the Eurozone debt crisis for most of the pair-wise observed sovereign bond markets but has become much less symmetric since then.

Synthesis of sheath voltage drops in asymmetric radio-frequency discharges

International Nuclear Information System (INIS)

Yonemura, Shigeru; Nanbu, Kenichi; Iwata, Naoaki

2004-01-01

A sheath voltage drop in asymmetric discharges is one of the most important parameters of radio-frequency capacitively coupled plasmas because it determines the kinetic energy of the ions incident on the target or substrate. In this study, we developed a numerical simulation code to estimate the sheath voltage drops and, consequently, the self-bias voltage. We roughly approximated general asymmetric rf discharges to one-dimensional spherical ones. The results obtained by using our simulation code are consistent with measurements and Lieberman's theory

Catalyst dynamics: consequences for classical kinetic descriptions of reactors

DEFF Research Database (Denmark)

Johannessen, Tue; Larsen, Jane Hvolbæk; Chorkendorff, Ib

2001-01-01

in situ studies and surface science investigations has brought added attention to the fact that catalysts may behave in a dynamic manner and reconstruct depending on the reaction conditions. This feature severely limits traditional kinetic descriptions. In the present paper, we present examples...

Parallel coupling of symmetric and asymmetric exclusion processes

International Nuclear Information System (INIS)

Tsekouras, K; Kolomeisky, A B

2008-01-01

A system consisting of two parallel coupled channels where particles in one of them follow the rules of totally asymmetric exclusion processes (TASEP) and in another one move as in symmetric simple exclusion processes (SSEP) is investigated theoretically. Particles interact with each other via hard-core exclusion potential, and in the asymmetric channel they can only hop in one direction, while on the symmetric lattice particles jump in both directions with equal probabilities. Inter-channel transitions are also allowed at every site of both lattices. Stationary state properties of the system are solved exactly in the limit of strong couplings between the channels. It is shown that strong symmetric couplings between totally asymmetric and symmetric channels lead to an effective partially asymmetric simple exclusion process (PASEP) and properties of both channels become almost identical. However, strong asymmetric couplings between symmetric and asymmetric channels yield an effective TASEP with nonzero particle flux in the asymmetric channel and zero flux on the symmetric lattice. For intermediate strength of couplings between the lattices a vertical-cluster mean-field method is developed. This approximate approach treats exactly particle dynamics during the vertical transitions between the channels and it neglects the correlations along the channels. Our calculations show that in all cases there are three stationary phases defined by particle dynamics at entrances, at exits or in the bulk of the system, while phase boundaries depend on the strength and symmetry of couplings between the channels. Extensive Monte Carlo computer simulations strongly support our theoretical predictions. Theoretical calculations and computer simulations predict that inter-channel couplings have a strong effect on stationary properties. It is also argued that our results might be relevant for understanding multi-particle dynamics of motor proteins

Kinetics of the Dynamical Information Shannon Entropy for Complex Systems

International Nuclear Information System (INIS)

Yulmetyev, R.M.; Yulmetyeva, D.G.

1999-01-01

Kinetic behaviour of dynamical information Shannon entropy is discussed for complex systems: physical systems with non-Markovian property and memory in correlation approximation, and biological and physiological systems with sequences of the Markovian and non-Markovian random noises. For the stochastic processes, a description of the information entropy in terms of normalized time correlation functions is given. The influence and important role of two mutually dependent channels of the entropy change, correlation (creation or generation of correlations) and anti-correlation (decay or annihilation of correlation) is discussed. The method developed here is also used in analysis of the density fluctuations in liquid cesium obtained from slow neutron scattering data, fractal kinetics of the long-range fluctuation in the short-time human memory and chaotic dynamics of R-R intervals of human ECG. (author)

Automotive exhaust gas conversion: from elementary step kinetics to prediction of emission dynamics

NARCIS (Netherlands)

Hoebink, J.H.B.J.; Harmsen, J.M.A.; Balenovic, M.; Backx, A.C.P.M.; Schouten, J.C.

2001-01-01

Elementary step based kinetics show a high added value to describe the performance of catalytic exhaust gas converters under dynamic conditions, as demonstrated with a Euro test cycle. Combination of such kinetic models for individual global reactions covers the mutual interactions via common

3.5D dynamic PET image reconstruction incorporating kinetics-based clusters

International Nuclear Information System (INIS)

Lu Lijun; Chen Wufan; Karakatsanis, Nicolas A; Rahmim, Arman; Tang Jing

2012-01-01

Standard 3D dynamic positron emission tomographic (PET) imaging consists of independent image reconstructions of individual frames followed by application of appropriate kinetic model to the time activity curves at the voxel or region-of-interest (ROI). The emerging field of 4D PET reconstruction, by contrast, seeks to move beyond this scheme and incorporate information from multiple frames within the image reconstruction task. Here we propose a novel reconstruction framework aiming to enhance quantitative accuracy of parametric images via introduction of priors based on voxel kinetics, as generated via clustering of preliminary reconstructed dynamic images to define clustered neighborhoods of voxels with similar kinetics. This is then followed by straightforward maximum a posteriori (MAP) 3D PET reconstruction as applied to individual frames; and as such the method is labeled ‘3.5D’ image reconstruction. The use of cluster-based priors has the advantage of further enhancing quantitative performance in dynamic PET imaging, because: (a) there are typically more voxels in clusters than in conventional local neighborhoods, and (b) neighboring voxels with distinct kinetics are less likely to be clustered together. Using realistic simulated 11 C-raclopride dynamic PET data, the quantitative performance of the proposed method was investigated. Parametric distribution-volume (DV) and DV ratio (DVR) images were estimated from dynamic image reconstructions using (a) maximum-likelihood expectation maximization (MLEM), and MAP reconstructions using (b) the quadratic prior (QP-MAP), (c) the Green prior (GP-MAP) and (d, e) two proposed cluster-based priors (CP-U-MAP and CP-W-MAP), followed by graphical modeling, and were qualitatively and quantitatively compared for 11 ROIs. Overall, the proposed dynamic PET reconstruction methodology resulted in substantial visual as well as quantitative accuracy improvements (in terms of noise versus bias performance) for parametric DV

Asymmetric strand segregation: epigenetic costs of genetic fidelity?

Directory of Open Access Journals (Sweden)

Diane P Genereux

2009-06-01

Full Text Available Asymmetric strand segregation has been proposed as a mechanism to minimize effective mutation rates in epithelial tissues. Under asymmetric strand segregation, the double-stranded molecule that contains the oldest DNA strand is preferentially targeted to the somatic stem cell after each round of DNA replication. This oldest DNA strand is expected to have fewer errors than younger strands because some of the errors that arise on daughter strands during their synthesis fail to be repaired. Empirical findings suggest the possibility of asymmetric strand segregation in a subset of mammalian cell lineages, indicating that it may indeed function to increase genetic fidelity. However, the implications of asymmetric strand segregation for the fidelity of epigenetic information remain unexplored. Here, I explore the impact of strand-segregation dynamics on epigenetic fidelity using a mathematical-modelling approach that draws on the known molecular mechanisms of DNA methylation and existing rate estimates from empirical methylation data. I find that, for a wide range of starting methylation densities, asymmetric -- but not symmetric -- strand segregation leads to systematic increases in methylation levels if parent strands are subject to de novo methylation events. I found that epigenetic fidelity can be compromised when enhanced genetic fidelity is achieved through asymmetric strand segregation. Strand segregation dynamics could thus explain the increased DNA methylation densities that are observed in structured cellular populations during aging and in disease.

Beam dynamics issues of high-luminosity asymmetric collider rings

International Nuclear Information System (INIS)

Sessler, A.M.

1990-01-01

Machines for use in high-energy physics are advancing along two frontiers. First, there is the frontier of energy, currently being pressed by the Fermilab collider (p bar p), and SLC and LEP (e + e - ) and in the near future by HERA (ep), the LHC, and the SSC (pp). Second, there is the frontier of intensity, currently being pressed by a variety of low-energy machines and, at higher energies, by various linacs such as those at KEK. Fermilab, GSI, and LAMPF (p) and CEBAF (e - ). In the future there should be, along this frontier, various ''factories'' such as those for Kaons at TRIUMF, and those proposed for var-phi mesons, τ-charm particles, and B mesons. It is with the intensity frontier that these proceedings are concerned. The elementary particle motivation to study the nonconservation of PC in the B-stringB system (which topic is not covered in these Proceedings, but is treated extensively in the literature) has motivated the study of very high intensity asymmetric collider rings. It was for this purpose that a Workshop on Beam Dynamics Issues of High-Luminosity Asymmetric Collider Rings was held, in Berkeley, during February 12--16, 1990. A general introduction to the subject has been given in an article which is reprinted here as an Appendix. The nonexpert may wish to start there. The volume consists of four parts. The first part consists of Summaries; first an overall summary of the Workshop and then, second, more detailed summaries from each of the working groups. The second part consists of the Invited Talks at the workshop. The third part contains various Contributed Papers, most of which represent work that came out of the workshop. Finally, there are, in the fourth part, brief Summaries of the Various Proposed B-Factory Projects in the world

Kinetic modeling and dynamic analysis of simultaneous saccharification and fermentation of cellulose to bioethanol

International Nuclear Information System (INIS)

Shadbahr, Jalil; Khan, Faisal; Zhang, Yan

2017-01-01

Highlights: • Deeper understanding of saccharification and fermentation process. • A new kinetic model for dynamic analysis of the simultaneous saccharification and fermentation. • Testing and validation of kinetic model. - Abstract: Kinetic modeling and dynamic analysis of the simultaneous saccharification and fermentation (SSF) of cellulose to ethanol was carried out in this study to determine the key reaction kinetics parameters and product inhibition features of the process. To obtain the more reliable kinetic parameters which can be applied for a wide range of operating conditions, batch SSF experiments were carried out at three enzyme loadings (10, 15 and 20 FPU/g cellulose) and two levels of initial concentrations of fermentable sugars (glucose and mannose). Results indicated that the maximum ethanol yield and concentration were achieved at high level of sugar concentrations with intermediate enzyme loading (15 FPU/g cellulose). Dynamic analysis of the acquired experimental results revealed that cellulase inhibition by cellobiose plays the most important role at high level of enzyme loading and low level of initial sugar concentrations. The inhibition of glucose becomes significant when high concentrations of sugars were present in the feedstock. Experimental results of SSF process also reveal that an efficient mixing between the phases helps to improve the ethanol yield significantly.

Kinetic energies of charged fragments resulting from multifragmentation and asymmetric fission of the C60 molecule in collisions with monocharged ions (2-130 keV)

International Nuclear Information System (INIS)

Rentenier, A; Bordenave-Montesquieu, D; Moretto-Capelle, P; Bordenave-Montesquieu, A

2003-01-01

Multifragmentation and asymmetric fission (AF) of the C 60 molecule induced by H + , H 2 + , H 3 + and He + ions at medium collision energies (2-130 keV) are considered. Momenta and kinetic energies of C n + fragment ions (n = 1- 12) are deduced from an analysis of time-of-flight spectra. In multifragmentation processes, momenta are found to be approximately constant when n > 2, a behaviour which explains that the most probable kinetic energy, as well as the width of the kinetic energy distributions, is found to be inversely proportional to the fragment size n; both momenta and kinetic energies are independent of the velocity and nature of the projectile, and hence of the energy deposit. A specific study of the AF shows that the kinetic energies of C 2 + , C 4 + and C 6 + fragments are also independent of the collision velocity and projectile species; a quantitative agreement is found with values deduced from kinetic energy release measurements by another group in electron impact experiments, and the observed decrease when the mass of the light fragment increases is also reproduced. A quantitative comparison of AF and multifragmentation for the n = 2, 4 and 6 fragment ions shows that kinetic energies in AF exceed that in multifragmentation, a result which explains the oscillations observed when momenta or kinetic energies of fragments are plotted against the n-value. The AF yield is also found to scale with the energy deposit in the collision velocity range extending below the velocity at the maximum of the electronic stopping power; except for protons, it remains negligible with respect to multifragmentation as soon as the total energy deposit exceeds about 100 eV

Kinetics, dynamics and neutron noise in Molten Salt Reactors

International Nuclear Information System (INIS)

Pazsit, Imre

2013-01-01

Reactor kinetic and dynamic properties of Molten Salt Reactors (MSR) are investigated in a simple model, which allows closed compact analytical solutions to be obtained. The goal is to gain insight, rather than to produce high-quality quantitative data. Through an interpretation of the different terms in the basic equations, and by means of analytical solutions, various approximations are introduced and their validity discussed. The dynamical behaviour of MSRs and their response to small stationary perturbations is described and discussed in comparison with traditional systems. (author)

Striking dynamics and kinetic properties of boxing and MMA gloves

Directory of Open Access Journals (Sweden)

Benjamin Lee

2014-08-01

Full Text Available With the growing popularity of Mixed Martial Arts (MMA as a competitive sport, questions regarding the dynamic response and properties of MMA gloves arise. High-energy impacts from punches are very similar to boxing yet MMA competition requires the use of 4 oz fingerless glove, compared to the larger full enclosure boxing glove. This work assessed the kinetic properties and strike dynamics of MMA gloves and compared findings with traditional boxing gloves. Gloves mounted on a molded fist were impacted repetitively on an instrumental anvil designed for impact, over a 5 hour period resulting in 10,000 continuous and consistent strikes. Kinetic data from impacts were sampled at the beginning of the data collection and subsequently every 30 minutes (every 1,000 strikes. MMA gloves produced 4-5 times greater peak force and 5 times faster load rate compared to the boxing glove. However, MMA gloves also showed signs of material fatigue, with peak force increasing by 35% and rate of loading increasing by 60% over the duration of the test. Boxing glove characteristics did deteriorate but to a lesser extent. In summary, the kinetic properties of MMA glove differed substantially from the boxing glove resulting in impacts characterized by higher peak forces and more rapid development of force. Material properties including stiffness and thickness play a role in the kinetic characteristics upon impact, and can be inferred to alter injury mechanisms of blunt force trauma.

Kinetic and dynamic probability-density-function descriptions of disperse turbulent two-phase flows

Science.gov (United States)

Minier, Jean-Pierre; Profeta, Christophe

2015-11-01

This article analyzes the status of two classical one-particle probability density function (PDF) descriptions of the dynamics of discrete particles dispersed in turbulent flows. The first PDF formulation considers only the process made up by particle position and velocity Zp=(xp,Up) and is represented by its PDF p (t ;yp,Vp) which is the solution of a kinetic PDF equation obtained through a flux closure based on the Furutsu-Novikov theorem. The second PDF formulation includes fluid variables into the particle state vector, for example, the fluid velocity seen by particles Zp=(xp,Up,Us) , and, consequently, handles an extended PDF p (t ;yp,Vp,Vs) which is the solution of a dynamic PDF equation. For high-Reynolds-number fluid flows, a typical formulation of the latter category relies on a Langevin model for the trajectories of the fluid seen or, conversely, on a Fokker-Planck equation for the extended PDF. In the present work, a new derivation of the kinetic PDF equation is worked out and new physical expressions of the dispersion tensors entering the kinetic PDF equation are obtained by starting from the extended PDF and integrating over the fluid seen. This demonstrates that, under the same assumption of a Gaussian colored noise and irrespective of the specific stochastic model chosen for the fluid seen, the kinetic PDF description is the marginal of a dynamic PDF one. However, a detailed analysis reveals that kinetic PDF models of particle dynamics in turbulent flows described by statistical correlations constitute incomplete stand-alone PDF descriptions and, moreover, that present kinetic-PDF equations are mathematically ill posed. This is shown to be the consequence of the non-Markovian characteristic of the stochastic process retained to describe the system and the use of an external colored noise. Furthermore, developments bring out that well-posed PDF descriptions are essentially due to a proper choice of the variables selected to describe physical systems

Dynamical self-arrest in symmetric and asymmetric diblock copolymer melts using a replica approach within a local theory.

Science.gov (United States)

Wu, Sangwook

2009-03-01

We investigate dynamical self-arrest in a diblock copolymer melt using a replica approach within a self-consistent local method based on dynamical mean-field theory (DMFT). The local replica approach effectively predicts (chiN)_{A} for dynamical self-arrest in a block copolymer melt for symmetric and asymmetric cases. We discuss the competition of the cubic and quartic interactions in the Landau free energy for a block copolymer melt in stabilizing a glassy state depending on the chain length. Our local replica theory provides a universal value for the dynamical self-arrest in block copolymer melts with (chiN)_{A} approximately 10.5+64N;{-3/10} for the symmetric case.

Use of a dynamic grid adaptation in the asymmetric weighted residual method

International Nuclear Information System (INIS)

Graf, V.; Romstedt, P.; Werner, W.

1986-01-01

A dynamic grid adaptive method has been developed for use with the asymmetric weighted residual method. The method automatically adapts the number and position of the spatial mesh points as the solution of hyperbolic or parabolic vector partial differential equations progresses in time. The mesh selection algorithm is based on the minimization of the L 2 norm of the spatial discretization error. The method permits the accurate calculation of the evolution of inhomogeneities, like wave fronts, shock layers, and other sharp transitions, while generally using a coarse computational grid. The number of required mesh points is significantly reduced, relative to a fixed Eulerian grid. Since the mesh selection algorithm is computationally inexpensive, a corresponding reduction of computing time results

Recrystallization kinetics of nanostructured copper processed by dynamic plastic deformation

DEFF Research Database (Denmark)

Lin, Fengxiang; Zhang, Yubin; Pantleon, Wolfgang

2012-01-01

The recrystallization kinetics of nanostructured copper samples processed by dynamic plastic deformation was investigated by electron backscatter diffraction. It was found that the evolution of the recrystallized volume fraction as a function of annealing time has a very low slope (n=0.37) when...

Elastic Characterization of Transversely Isotropic Soft Materials by Dynamic Shear and Asymmetric Indentation

Science.gov (United States)

Namani, R.; Feng, Y.; Okamoto, R. J.; Jesuraj, N.; Sakiyama-Elbert, S. E.; Genin, G. M.; Bayly, P. V.

2012-01-01

The mechanical characterization of soft anisotropic materials is a fundamental challenge because of difficulties in applying mechanical loads to soft matter and the need to combine information from multiple tests. A method to characterize the linear elastic properties of transversely isotropic soft materials is proposed, based on the combination of dynamic shear testing (DST) and asymmetric indentation. The procedure was demonstrated by characterizing a nearly incompressible transversely isotropic soft material. A soft gel with controlled anisotropy was obtained by polymerizing a mixture of fibrinogen and thrombin solutions in a high field magnet (B = 11.7 T); fibrils in the resulting gel were predominantly aligned parallel to the magnetic field. Aligned fibrin gels were subject to dynamic (20–40 Hz) shear deformation in two orthogonal directions. The shear storage modulus was 1.08 ± 0. 42 kPa (mean ± std. dev.) for shear in a plane parallel to the dominant fiber direction, and 0.58 ± 0.21 kPa for shear in the plane of isotropy. Gels were indented by a rectangular tip of a large aspect ratio, aligned either parallel or perpendicular to the normal to the plane of transverse isotropy. Aligned fibrin gels appeared stiffer when indented with the long axis of a rectangular tip perpendicular to the dominant fiber direction. Three-dimensional numerical simulations of asymmetric indentation were used to determine the relationship between direction-dependent differences in indentation stiffness and material parameters. This approach enables the estimation of a complete set of parameters for an incompressible, transversely isotropic, linear elastic material. PMID:22757501

Experimental methods of investigation of kinetics and dynamics of nuclear reactors

International Nuclear Information System (INIS)

Costa Oliveira, Jaime M.

1969-03-01

The author presents experimental methods used to study kinetic and dynamic properties of nuclear reactors. Kinetic methods aim at determining characteristic parameters of the behaviour in time of neutrons. Dynamic methods aim at establishing the relationships between the reactor behaviour and its internal and external causes (notably the measurement of transfer functions). The author proposes a classification with respect to the excitation type: periodic excitation (reactivity sinusoidal modulation, source sinusoidal modulation, periodic pulse excitation), non periodic excitation (reactivity monitoring, reactivity linear variation, reactivity variation according to any given law, removal of starting source), random excitation (random reactivity or source excitation), natural fluctuations (alpha-Rossi method, methods of reduced variance, probabilistic methods, correlation methods, spectral analysis method). He also addresses space and energy effects. Applications are reported for low power and power reactors

Comprehensive asymmetric dark matter model

Science.gov (United States)

Lonsdale, Stephen J.; Volkas, Raymond R.

2018-05-01

Asymmetric dark matter (ADM) is motivated by the similar cosmological mass densities measured for ordinary and dark matter. We present a comprehensive theory for ADM that addresses the mass density similarity, going beyond the usual ADM explanations of similar number densities. It features an explicit matter-antimatter asymmetry generation mechanism, has one fully worked out thermal history and suggestions for other possibilities, and meets all phenomenological, cosmological and astrophysical constraints. Importantly, it incorporates a deep reason for why the dark matter mass scale is related to the proton mass, a key consideration in ADM models. Our starting point is the idea of mirror matter, which offers an explanation for dark matter by duplicating the standard model with a dark sector related by a Z2 parity symmetry. However, the dark sector need not manifest as a symmetric copy of the standard model in the present day. By utilizing the mechanism of "asymmetric symmetry breaking" with two Higgs doublets in each sector, we develop a model of ADM where the mirror symmetry is spontaneously broken, leading to an electroweak scale in the dark sector that is significantly larger than that of the visible sector. The weak sensitivity of the ordinary and dark QCD confinement scales to their respective electroweak scales leads to the necessary connection between the dark matter and proton masses. The dark matter is composed of either dark neutrons or a mixture of dark neutrons and metastable dark hydrogen atoms. Lepton asymmetries are generated by the C P -violating decays of heavy Majorana neutrinos in both sectors. These are then converted by sphaleron processes to produce the observed ratio of visible to dark matter in the universe. The dynamics responsible for the kinetic decoupling of the two sectors emerges as an important issue that we only partially solve.

Spin Dynamics in (111) GaAs/AlGaAs Undoped Asymmetric Quantum Wells

International Nuclear Information System (INIS)

Wang Gang; Ye Hui-Qi; Shi Zhen-Wu; Wang Wen-Xin; Liu Bao-Li; Xavier Marie; Andrea Balocchi; Thierry Amand

2012-01-01

The electron spin dynamics is investigated by the time-resolved Kerr rotation technique in a pair of special GaAs/AlGaAs asymmetric quantum well samples grown on (111)-oriented substrates, whose structures are the same except for their opposite directions of potential asymmetry. A large difference of spin lifetimes between the two samples is observed at low temperature. This difference is interpreted in terms of a cancellation effect between the Dresselhaus spin-splitting term in the conduction band and another term induced by interface inversion asymmetry. The deviation decreases with the increasing temperature, and almost disappears when T > 100 K because the cubic Dresselhaus term becomes more important

A robust state-space kinetics-guided framework for dynamic PET image reconstruction

International Nuclear Information System (INIS)

Tong, S; Alessio, A M; Kinahan, P E; Liu, H; Shi, P

2011-01-01

Dynamic PET image reconstruction is a challenging issue due to the low SNR and the large quantity of spatio-temporal data. We propose a robust state-space image reconstruction (SSIR) framework for activity reconstruction in dynamic PET. Unlike statistically-based frame-by-frame methods, tracer kinetic modeling is incorporated to provide physiological guidance for the reconstruction, harnessing the temporal information of the dynamic data. Dynamic reconstruction is formulated in a state-space representation, where a compartmental model describes the kinetic processes in a continuous-time system equation, and the imaging data are expressed in a discrete measurement equation. Tracer activity concentrations are treated as the state variables, and are estimated from the dynamic data. Sampled-data H ∞ filtering is adopted for robust estimation. H ∞ filtering makes no assumptions on the system and measurement statistics, and guarantees bounded estimation error for finite-energy disturbances, leading to robust performance for dynamic data with low SNR and/or errors. This alternative reconstruction approach could help us to deal with unpredictable situations in imaging (e.g. data corruption from failed detector blocks) or inaccurate noise models. Experiments on synthetic phantom and patient PET data are performed to demonstrate feasibility of the SSIR framework, and to explore its potential advantages over frame-by-frame statistical reconstruction approaches.

Comparisons of Different Models on Dynamic Recrystallization of Plate during Asymmetrical Shear Rolling

Directory of Open Access Journals (Sweden)

Tao Zhang

2018-01-01

Full Text Available Asymmetrical shear rolling with velocity asymmetry and geometry asymmetry is beneficial to enlarge deformation and refine grain size at the center of the thick plate compared to conventional symmetrical rolling. Dynamic recrystallization (DRX plays a vital role in grain refinement during hot deformation. Finite element models (FEM coupled with microstructure evolution models and cellular automata models (CA are established to study the microstructure evolution of plate during asymmetrical shear rolling. The results show that a larger DRX fraction and a smaller average grain size can be obtained at the lower layer of the plate. The DRX fraction at the lower part increases with the ascending speed ratio, while that at upper part decreases. With the increase of the offset distance, the DRX fraction slightly decreases for the whole thickness of the plate. The differences in the DRX fraction and average grain size between the upper and lower surfaces increase with the ascending speed ratio; however, it varies little with the change of the speed ratio. Experiments are conducted and the CA models have a higher accuracy than FEM models as the grain morphology, DRX nuclei, and grain growth are taken into consideration in CA models, which are more similar to the actual DRX process during hot deformation.

Comparisons of Different Models on Dynamic Recrystallization of Plate during Asymmetrical Shear Rolling

Science.gov (United States)

Zhang, Tao; Li, Lei; Lu, Shi-Hong; Gong, Hai; Wu, Yun-Xin

2018-01-01

Asymmetrical shear rolling with velocity asymmetry and geometry asymmetry is beneficial to enlarge deformation and refine grain size at the center of the thick plate compared to conventional symmetrical rolling. Dynamic recrystallization (DRX) plays a vital role in grain refinement during hot deformation. Finite element models (FEM) coupled with microstructure evolution models and cellular automata models (CA) are established to study the microstructure evolution of plate during asymmetrical shear rolling. The results show that a larger DRX fraction and a smaller average grain size can be obtained at the lower layer of the plate. The DRX fraction at the lower part increases with the ascending speed ratio, while that at upper part decreases. With the increase of the offset distance, the DRX fraction slightly decreases for the whole thickness of the plate. The differences in the DRX fraction and average grain size between the upper and lower surfaces increase with the ascending speed ratio; however, it varies little with the change of the speed ratio. Experiments are conducted and the CA models have a higher accuracy than FEM models as the grain morphology, DRX nuclei, and grain growth are taken into consideration in CA models, which are more similar to the actual DRX process during hot deformation. PMID:29342080

Development of 3D dynamic gap element for simulation of asymmetric fuel behavior

International Nuclear Information System (INIS)

Kim, Hyochan; Yang, Yongsik; Koo, Yanghyun; Kang, Changhak; Lee, Sunguk; Yang, Dongyol

2014-01-01

The accurate modeling of heat transfer across the gap between fuel pellets and the protective cladding is essential to understanding the fuel performance, including cladding stress and behavior under irradiated conditions. To establish a heat transfer model through a gap in the fuel performance code, the gap conductance based on the Ross and Stoute model was employed in most previous works. In this model, the gap conductance that determines the temperature gradient within the gap is a function of gap thickness, which is dependent on mechanical behavior. Recently, many researchers have been developing fuel performance codes based on the finite element method (FE) to calculate the temperature, stress, and strain in 2D or 3D. The gap conductance model for FE can be a challenging issue in terms of convergence and nonlinearity because the elements that are positioned in a gap have a different gap conductance, and the boundary conditions of the gap vary at each iteration step. In this paper, the specified 3D dynamic gap element has been proposed and implemented to simulate asymmetric thermo-mechanical fuel behavior. A thermo-mechanical 3D finite element module incorporating a gap element has been implemented using FORTRAN77. To evaluate the proposed 3D gap element, the missing pellet surface (MPS), which results in an asymmetric heat transfer in the pellet and cladding, was simulated. As a result, the maximum temperature of a pellet for the MPS problem calculated with the specified 3D gap element is much higher than the temperature calculated with a uniform gap conductance model that a multidimensional fuel performance code employs. The results demonstrate that a 3D simulation is essential to evaluate the temperature and stress of the pellet and cladding for an asymmetric geometry simulation. (author)

Integrating chemistry into 3D climate models: Detailed kinetics in the troposphere and stratosphere of a global climate model

Energy Technology Data Exchange (ETDEWEB)

Kao, C.Y.J.; Elliott, S. [Los Alamos National Lab., NM (United States). Earth and Environmental Sciences Div.; Turco, R.P.; Zhao, X. [Univ. of California, Los Angeles, CA (United States)

1997-11-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The motivation for the project is to create the first complete, three-dimensional climate model that enfolds atmospheric photochemistry. The LANL chemical global climate model (GCM) not only distributes the trace greenhouse gases and modifies their concentrations within the detailed photochemical web, but also permits them to influence the radiation field and so force their own transport. Both atmospheric chemistry and fluid dynamics are nonlinear and zonally asymmetric phenomena. They can only be adequately modeled in three dimensions on the global grid. The kinetics-augmented GCM is the only program within the atmospheric community capable of investigating interaction involving chemistry and transport. The authors have conducted case studies of timely three-dimensional chemistry issues. Examples include ozone production from biomass burning plumes, kinetic feedbacks in zonally asymmetric transport phenomena with month- to year-long time scales, and volcano sulfate aerosols with respect to their potential effects on tropospheric ozone depletion.

Effects of different per translational kinetics on the dynamics of a core circadian clock model.

Science.gov (United States)

Nieto, Paula S; Revelli, Jorge A; Garbarino-Pico, Eduardo; Condat, Carlos A; Guido, Mario E; Tamarit, Francisco A

2015-01-01

Living beings display self-sustained daily rhythms in multiple biological processes, which persist in the absence of external cues since they are generated by endogenous circadian clocks. The period (per) gene is a central player within the core molecular mechanism for keeping circadian time in most animals. Recently, the modulation PER translation has been reported, both in mammals and flies, suggesting that translational regulation of clock components is important for the proper clock gene expression and molecular clock performance. Because translational regulation ultimately implies changes in the kinetics of translation and, therefore, in the circadian clock dynamics, we sought to study how and to what extent the molecular clock dynamics is affected by the kinetics of PER translation. With this objective, we used a minimal mathematical model of the molecular circadian clock to qualitatively characterize the dynamical changes derived from kinetically different PER translational mechanisms. We found that the emergence of self-sustained oscillations with characteristic period, amplitude, and phase lag (time delays) between per mRNA and protein expression depends on the kinetic parameters related to PER translation. Interestingly, under certain conditions, a PER translation mechanism with saturable kinetics introduces longer time delays than a mechanism ruled by a first-order kinetics. In addition, the kinetic laws of PER translation significantly changed the sensitivity of our model to parameters related to the synthesis and degradation of per mRNA and PER degradation. Lastly, we found a set of parameters, with realistic values, for which our model reproduces some experimental results reported recently for Drosophila melanogaster and we present some predictions derived from our analysis.

Kinetic energies of charged fragments resulting from multifragmentation and asymmetric fission of the C{sub 60} molecule in collisions with monocharged ions (2-130 keV)

Energy Technology Data Exchange (ETDEWEB)

Rentenier, A; Bordenave-Montesquieu, D; Moretto-Capelle, P; Bordenave-Montesquieu, A [Laboratoire CAR-IRSAMC, UMR 5589 CNRS - Universite Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex (France)

2003-04-28

Multifragmentation and asymmetric fission (AF) of the C{sub 60} molecule induced by H{sup +}, H{sub 2}{sup +}, H{sub 3}{sup +} and He{sup +} ions at medium collision energies (2-130 keV) are considered. Momenta and kinetic energies of C{sub n}{sup +} fragment ions (n = 1- 12) are deduced from an analysis of time-of-flight spectra. In multifragmentation processes, momenta are found to be approximately constant when n > 2, a behaviour which explains that the most probable kinetic energy, as well as the width of the kinetic energy distributions, is found to be inversely proportional to the fragment size n; both momenta and kinetic energies are independent of the velocity and nature of the projectile, and hence of the energy deposit. A specific study of the AF shows that the kinetic energies of C{sub 2}{sup +}, C{sub 4}{sup +} and C{sub 6}{sup +} fragments are also independent of the collision velocity and projectile species; a quantitative agreement is found with values deduced from kinetic energy release measurements by another group in electron impact experiments, and the observed decrease when the mass of the light fragment increases is also reproduced. A quantitative comparison of AF and multifragmentation for the n = 2, 4 and 6 fragment ions shows that kinetic energies in AF exceed that in multifragmentation, a result which explains the oscillations observed when momenta or kinetic energies of fragments are plotted against the n-value. The AF yield is also found to scale with the energy deposit in the collision velocity range extending below the velocity at the maximum of the electronic stopping power; except for protons, it remains negligible with respect to multifragmentation as soon as the total energy deposit exceeds about 100 eV.

Chemical Dynamics, Molecular Energetics, and Kinetics at the Synchrotron

International Nuclear Information System (INIS)

Leone, Stephen R.; Ahmed, Musahid; Wilson, Kevin R.

2010-01-01

Scientists at the Chemical Dynamics Beamline of the Advanced Light Source in Berkeley are continuously reinventing synchrotron investigations of physical chemistry and chemical physics with vacuum ultraviolet light. One of the unique aspects of a synchrotron for chemical physics research is the widely tunable vacuum ultraviolet light that permits threshold ionization of large molecules with minimal fragmentation. This provides novel opportunities to assess molecular energetics and reaction mechanisms, even beyond simple gas phase molecules. In this perspective, significant new directions utilizing the capabilities at the Chemical Dynamics Beamline are presented, along with an outlook for future synchrotron and free electron laser science in chemical dynamics. Among the established and emerging fields of investigations are cluster and biological molecule spectroscopy and structure, combustion flame chemistry mechanisms, radical kinetics and product isomer dynamics, aerosol heterogeneous chemistry, planetary and interstellar chemistry, and secondary neutral ion-beam desorption imaging of biological matter and materials chemistry.

Totally Asymmetric Limit for Models of Heat Conduction

Science.gov (United States)

De Carlo, Leonardo; Gabrielli, Davide

2017-08-01

We consider one dimensional weakly asymmetric boundary driven models of heat conduction. In the cases of a constant diffusion coefficient and of a quadratic mobility we compute the quasi-potential that is a non local functional obtained by the solution of a variational problem. This is done using the dynamic variational approach of the macroscopic fluctuation theory (Bertini et al. in Rev Mod Phys 87:593, 2015). The case of a concave mobility corresponds essentially to the exclusion model that has been discussed in Bertini et al. (J Stat Mech L11001, 2010; Pure Appl Math 64(5):649-696, 2011; Commun Math Phys 289(1):311-334, 2009) and Enaud and Derrida (J Stat Phys 114:537-562, 2004). We consider here the convex case that includes for example the Kipnis-Marchioro-Presutti (KMP) model and its dual (KMPd) (Kipnis et al. in J Stat Phys 27:6574, 1982). This extends to the weakly asymmetric regime the computations in Bertini et al. (J Stat Phys 121(5/6):843-885, 2005). We consider then, both microscopically and macroscopically, the limit of large externalfields. Microscopically we discuss some possible totally asymmetric limits of the KMP model. In one case the totally asymmetric dynamics has a product invariant measure. Another possible limit dynamics has instead a non trivial invariant measure for which we give a duality representation. Macroscopically we show that the quasi-potentials of KMP and KMPd, which are non local for any value of the external field, become local in the limit. Moreover the dependence on one of the external reservoirs disappears. For models having strictly positive quadratic mobilities we obtain instead in the limit a non local functional having a structure similar to the one of the boundary driven asymmetric exclusion process.

Dynamic kinetic resolution of biaryl atropisomers by chiral dialkylaminopyridine catalysts.

Science.gov (United States)

Ma, Gaoyuan; Deng, Chao; Deng, Jun; Sibi, Mukund P

2018-05-02

The acylative dynamic kinetic resolution (DKR) of configurationally unstable biaryl atropisomers is achieved by using newly developed chiral dialkylaminopyridine catalysts with fluxional chirality. Various types of biaryl substrates containing phenolic structures were subjected to the DKR to obtain a range of acylated biaryl products with enantiomeric ratios up to 90 : 10.

The kinetics of crossflow dynamic membrane bioreactor | Li | Water SA

African Journals Online (AJOL)

Crossflow dynamic membrane bioreactor (CDMBR) kinetics was investigated by treating caprolactam wastewater over a period of 180 d. The removal efficiencies of organic substances and nitrogen averaged over 99% and 80%, respectively. The observed sludge yield was only 0.14 g SS·g-1 COD·d-1 at an SRT of 30 d ...

Comparison of molecular dynamics and kinetic modeling of gas-surface interactions

NARCIS (Netherlands)

Frezzotti, A.; Gaastra - Nedea, S.V.; Markvoort, A.J.; Spijker, P.; Gibelli, L.

2008-01-01

The interaction of a dilute monatomic gas with a solid surface is studied byMolecular Dynamics (MD) simulations and by numerical solutions of a recently proposed kinetic model. Following previous investigations, the heat transport between parallel walls and Couette flow have been adopted as test

Growth Kinetics and Size Distribution Dynamics of Viscous Secondary Organic Aerosol

Energy Technology Data Exchange (ETDEWEB)

Zaveri, Rahul A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Shilling, John E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Zelenyuk, Alla [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Div.; Liu, Jiumeng [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Bell, David M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Div.; Paul Scherrer Inst. (PSI), Villigen (Switzerland). Lab. of Atmospheric Chemistry; D’Ambro, Emma L. [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences and Dept. of Chemistry; Gaston, Cassandra J. [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences; Univ. of Miami, Miami, FL (United States). Rosenstiel School of Marine and Atmospheric Science; Thornton, Joel A. [Univ. of Washington, Seattle, WA (United States). Dept. of Atmospheric Sciences and Dept. of Chemistry; Laskin, Alexander [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Purdue Univ., West Lafayette, IN (United States). Dept. of Chemistry; Lin, Peng [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL); Purdue Univ., West Lafayette, IN (United States). Dept. of Chemistry; Wilson, Jacqueline [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical Sciences Div.; Easter, Richard C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Atmospheric Science and Global Change Div. (ASGC); Wang, Jian [Brookhaven National Lab. (BNL), Upton, NY (United States). Environmental & Climate Sciences Dept.; Bertram, Allan K. [Univ. of British Columbia, Vancouver, BC (Canada). Dept. of Chemistry; Martin, Scot T. [Harvard Univ., Cambridge, MA (United States). School of Engineering and Applied Sciences (SEAS) and Dept. of Earth and Planetary Sciences; Seinfeld, John H. [California Inst. of Technology (CalTech), Pasadena, CA (United States). Div. of Chemistry and Chemical Engineering and Div. of Engineering and Applied Science; Worsnop, Douglas R. [Aerodyne Research, Billerica, MA (United States). Center for Aerosol and Cloud Chemistry

2017-12-15

Low bulk diffusivity inside viscous semisolid atmospheric secondary organic aerosol (SOA) can prolong equilibration time scale, but its broader impacts on aerosol growth and size distribution dynamics are poorly understood. In this article, we present quantitative insights into the effects of bulk diffusivity on the growth and evaporation kinetics of SOA formed under dry conditions from photooxidation of isoprene in the presence of a bimodal aerosol consisting of Aitken (ammonium sulfate) and accumulation (isoprene or α-pinene SOA) mode particles. Aerosol composition measurements and evaporation kinetics indicate that isoprene SOA is composed of several semivolatile organic compounds (SVOCs), with some reversibly reacting to form oligomers. Model analysis shows that liquid-like bulk diffusivities can be used to fit the observed evaporation kinetics of accumulation mode particles but fail to explain the growth kinetics of bimodal aerosol by significantly under-predicting the evolution of the Aitken mode. In contrast, the semisolid scenario successfully reproduces both evaporation and growth kinetics, with the interpretation that hindered partitioning of SVOCs into large viscous particles effectively promotes the growth of smaller particles that have shorter diffusion time scales. This effect has important implications for the growth of atmospheric ultrafine particles to climatically active sizes.

Catalytic Kinetic Resolution of Biaryl Compounds.

Science.gov (United States)

Ma, Gaoyuan; Sibi, Mukund P

2015-08-10

Biaryl compounds with axial chirality are very common in synthetic chemistry, especially in catalysis. Axially chiral biaryls are important due to their biological activities and extensive applications in asymmetric catalysis. Thus the development of efficient enantioselective methods for their synthesis has attracted considerable attention. This Minireview discusses the progress made in catalytic kinetic resolution of biaryl compounds and chronicles significant advances made recently in catalytic kinetic resolution of biaryl scaffolds. © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

Fouling Kinetics and Associated Dynamics of Structural Modifications

DEFF Research Database (Denmark)

Jacob, Jerome; Prádanos, Pedro; Calvo, J. I.

1998-01-01

It is shown that the fouling behaviour of microfiltration membranes does not agree within all the time ranges of any of the commonly used membrane blocking models (i.e. complete, standard, intermediate or cake blocking). The resulting experimental kinetics of flux decline do not fit to only one...... of these models, but according to a successive or simultaneous coexistence of two or more of them. This is studied by analysing the structural modifications associated with the fouling kinetics. To achieve this goal, here we analyse the dynamical changes on the structure of four microporous membranes made...... by Sartorius (ST02 and ST045, neutral) and Spectrum (SP02 and SP045, positively charged) when fouled by permeating a protein aqueous solution (bovine serum albumin (BSA) at 1 g l(-1)) under 10 kPa in a dead-end device. The structure after different fouling times is obtained by using an extended bubble point...

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

Science.gov (United States)

Rout, Bapin Kumar; Brooks, Geoff; Rhamdhani, M. Akbar; Li, Zushu; Schrama, Frank N. H.; Sun, Jianjun

2018-04-01

A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag-bulk metal zone, (iii) slag-metal-gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag-metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic FetO generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling FetO content in the slag and the kinetics of Mn and P in a BOF process.

Modelling of the Hypothalamic-Pituitary-Adrenal Axis Perturbations by Externally Induced Cholesterol Pulses of Finite Duration and with Asymmetrically Distributed Concentration Profile

Science.gov (United States)

Stanojević, A.; Marković, V. M.; Čupić, Ž.; Vukojević, V.; Kolar-Anić, L.

2017-12-01

A model was developed that can be used to study the effect of gradual cholesterol intake by food on the HPA axis dynamics. Namely, well defined oscillatory dynamics of vital neuroendocrine hypothalamic-pituitary-adrenal (HPA) axis has proven to be necessary for maintaining regular basal physiology and formulating appropriate stress response to various types of perturbations. Cholesterol, as a precursor of all steroid HPA axis hormones, can alter the dynamics of HPA axis. To analyse its particular influence on the HPA axis dynamics we used stoichiometric model of HPA axis activity, and simulate cholesterol perturbations in the form of finite duration pulses, with asymmetrically distributed concentration profile. Our numerical simulations showed that there is a complex, nonlinear dependence between the HPA axis responsiveness and different forms of applied cholesterol concentration pulses, indicating the significance of kinetic modelling, and dynamical systems theory for the understanding of large-scale self-regulatory, and homeostatic processes within this neuroendocrine system.

Kinetic equations within the formalism of non-equilibrium thermo field dynamics

International Nuclear Information System (INIS)

Arimitsu, Toshihico

1988-01-01

After reviewing the real-time formalism of dissipative quantum field theory, i.e. non-equilibrium thermo field dynamics (NETFD), a kinetic equation, a self-consistent equation for the dissipation coefficient and a ''mass'' or ''chemical potential'' renormalization equation for non-equilibrium transient situations are extracted out of the two-point Green's function of the Heisenberg field, in their most general forms upon the basic requirements of NETFD. The formulation is applied to the electron-phonon system, as an example, where the gradient expansion and the quasi-particle approximation are performed. The formalism of NETFD is reinvestigated in connection with the kinetic equations. (orig.)

Understanding system dynamics of an adaptive enzyme network from globally profiled kinetic parameters.

Science.gov (United States)

Chiang, Austin W T; Liu, Wei-Chung; Charusanti, Pep; Hwang, Ming-Jing

2014-01-15

A major challenge in mathematical modeling of biological systems is to determine how model parameters contribute to systems dynamics. As biological processes are often complex in nature, it is desirable to address this issue using a systematic approach. Here, we propose a simple methodology that first performs an enrichment test to find patterns in the values of globally profiled kinetic parameters with which a model can produce the required system dynamics; this is then followed by a statistical test to elucidate the association between individual parameters and different parts of the system's dynamics. We demonstrate our methodology on a prototype biological system of perfect adaptation dynamics, namely the chemotaxis model for Escherichia coli. Our results agreed well with those derived from experimental data and theoretical studies in the literature. Using this model system, we showed that there are motifs in kinetic parameters and that these motifs are governed by constraints of the specified system dynamics. A systematic approach based on enrichment statistical tests has been developed to elucidate the relationships between model parameters and the roles they play in affecting system dynamics of a prototype biological network. The proposed approach is generally applicable and therefore can find wide use in systems biology modeling research.

Spin-polarization dependent carrier recombination dynamics and spin relaxation mechanism in asymmetrically doped (110) n-GaAs quantum wells

Science.gov (United States)

Teng, Lihua; Jiang, Tianran; Wang, Xia; Lai, Tianshu

2018-05-01

Carrier recombination and electron spin relaxation dynamics in asymmetric n-doped (110) GaAs/AlGaAs quantum wells are investigated with time-resolved pump-probe spectroscopy. The experiment results reveal that the measured carrier recombination time depends strongly on the polarization of pump pulse. With the same pump photon flux densities, the recombination time of spin-polarized carriers is always longer than that of the spin-balanced carriers except at low pump photon flux densities, this anomaly originates from the polarization-sensitive nonlinear absorption effect. Differing from the traditional views, in the low carrier density regime, the D'yakonov-Perel' (DP) mechanism can be more important than the Bir-Aronov-Pikus (BAP) mechanism, since the DP mechanism takes effect, the spin relaxation time in (110) GaAs QWs is shortened obviously via asymmetric doping.

Modal and Dynamic Analysis of a Vehicle with Kinetic Dynamic Suspension System

Directory of Open Access Journals (Sweden)

Bangji Zhang

2016-01-01

Full Text Available A novel kinetic dynamic suspension (KDS system is presented for the cooperative control of the roll and warp motion modes of off-road vehicles. The proposed KDS system consists of two hydraulic cylinders acting on the antiroll bars. Hence, the antiroll bars are not completely replaced by the hydraulic system, but both systems are installed. In this paper, the vibration analysis in terms of natural frequencies of different motion modes in frequency domain for an off-road vehicle equipped with different configurable suspension systems is studied by using the modal analysis method. The dynamic responses of the vehicle with different configurable suspension systems are investigated under different road excitations and maneuvers. The results of the modal and dynamic analysis prove that the KDS system can reduce the roll and articulation motions of the off-road vehicle without adding extra bounce stiffness and deteriorating the ride comfort. Furthermore, the roll stiffness is increased and the warp stiffness is decreased by the KDS system, which could significantly enhance handing performance and off-road capability.

Analysis of the Temporal Response of Coupled Asymmetrical Zero-Power Subcritical Bare Metal Reactor Systems

Energy Technology Data Exchange (ETDEWEB)

Klain, Kimberly L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-06-21

The behavior of symmetrical coupled-core systems has been extensively studied, yet there is a dearth of research on asymmetrical systems due to the increased complexity of the analysis of such systems. In this research, the multipoint kinetics method is applied to asymmetrical zeropower, subcritical, bare metal reactor systems. Existing research on asymmetrical reactor systems assumes symmetry in the neutronic coupling; however, it will be shown that this cannot always be assumed. Deep subcriticality adds another layer of complexity and requires modification of the multipoint kinetics equations to account for the effect of the external neutron source. A modified set of multipoint kinetics equations is derived with this in mind. Subsequently, the Rossi-alpha equations are derived for a two-region asymmetrical reactor system. The predictive capabilities of the radiation transport code MCNP6 for neutron noise experiments are shown in a comparison to the results of a series of Rossi-alpha measurements performed by J. Mihalczo utilizing a coupled set of symmetrical bare highly-enriched uranium (HEU) cylinders. The ptrac option within MCNP6 can generate time-tagged counts in a cell (list-mode data). The list-mode data can then be processed similarly to measured data to obtain values for system parameters such as the dual prompt neutron decay constants observable in a coupled system. The results from the ptrac simulations agree well with the historical measured values. A series of case studies are conducted to study the effects of geometrical asymmetry in the coupling between two bare metal HEU cylinders. While the coupling behavior of symmetrical systems has been reported on extensively, that of asymmetrical systems remains sparse. In particular, it appears that there has been no previous research in obtaining the coupling time constants for asymmetrically-coupled systems. The difficulty in observing such systems is due in part to the inability to determine the

The synchronization of asymmetric-structured electric coupling neuronal system

Science.gov (United States)

Wang, Guanping; Jin, Wuyin; Liu, Hao; Sun, Wei

2018-02-01

Based on the Hindmarsh-Rose (HR) model, the synchronization dynamics of asymmetric-structured electric coupling two neuronal system is investigated in this paper. It is discovered that when the time-delay scope and coupling strength for the synchronization are correlated positively under unequal time delay, the time-delay difference does not make a clear distinction between the two individual inter-spike intervals (ISI) bifurcation diagrams of the two coupled neurons. Therefore, the superficial difference of the system synchronization dynamics is not obvious for the unequal time-delay feedback. In the asymmetrical current incentives under asymmetric electric coupled system, the two neurons can only be almost completely synchronized in specific area of the interval which end-pointed with two discharge modes for a single neuron under different stimuli currents before coupling, but the intervention of time-delay feedback, together with the change of the coupling strength, can make the coupled system not only almost completely synchronized within anywhere in the front area, but also outside of it.

Relativistic nuclear fluid dynamics and VUU kinetic theory

International Nuclear Information System (INIS)

Molitoris, J.J.; Hahn, D.; Alonso, C.; Collazo, I.; D'Alessandris, P.; McAbee, T.; Wilson, J.; Zingman, J.

1987-01-01

Relativistic kinetic theory may be used to understand hot dense hadronic matter. We address the questions of collective flow and pion production in a 3 D relativistic fluid dynamic model and in the VUU microscopic theory. The GSI/LBL collective flow and pion data point to a stiff equation of state. The effect of the nuclear equation of state on the thermodynamic parameters is discussed. The properties of dense hot hadronic matter are studied in Au + Au collisions from 0.1 to 10 GeV/nucleon. 22 refs., 5 figs

Numerical simulation of stochastic point kinetic equation in the dynamical system of nuclear reactor

International Nuclear Information System (INIS)

Saha Ray, S.

2012-01-01

Highlights: ► In this paper stochastic neutron point kinetic equations have been analyzed. ► Euler–Maruyama method and Strong Taylor 1.5 order method have been discussed. ► These methods are applied for the solution of stochastic point kinetic equations. ► Comparison between the results of these methods and others are presented in tables. ► Graphs for neutron and precursor sample paths are also presented. -- Abstract: In the present paper, the numerical approximation methods, applied to efficiently calculate the solution for stochastic point kinetic equations () in nuclear reactor dynamics, are investigated. A system of Itô stochastic differential equations has been analyzed to model the neutron density and the delayed neutron precursors in a point nuclear reactor. The resulting system of Itô stochastic differential equations are solved over each time-step size. The methods are verified by considering different initial conditions, experimental data and over constant reactivities. The computational results indicate that the methods are simple and suitable for solving stochastic point kinetic equations. In this article, a numerical investigation is made in order to observe the random oscillations in neutron and precursor population dynamics in subcritical and critical reactors.

Influence of substituents of nickel(II) complexes of Schiff bases of substituted (S)-2-N-(benzylpropyl)aminobenzophenones and amino-acids on their asymmetric induction

International Nuclear Information System (INIS)

Nadvornik, M.; Lycka, A.; Gee, A.; Popkov, A.

1999-01-01

The aim of this work was to study of influence of substituents on benzophenone substituent on thermodynamic controlled induction of complexes as well as influence of substituents on benzyl group and on benzophenone on kinetically controlled asymmetric induction of complexes. [ 13 C]methyl iodide was used in the synthesis. Replace of benzyl group by 2,4,6-trimethylbenzyl group increase kinetically controlled asymmetric induction of synthesis of (S)-α-[ 13 C]methylalanine from 43% d.e. to 66% d.e

Kinematics and Dynamics of an Asymmetrical Parallel Robotic Wrist

DEFF Research Database (Denmark)

Wu, Guanglei

2014-01-01

This paper introduces an asymmetrical parallel robotic wrist, which can generate a decoupled unlimited-torsion motion and achieve high positioning accuracy. The kinematics, dexterity, and singularities of the manipulator are investigated to visualize the performance contours of the manipulator...

Modeling and Classification of Kinetic Patterns of Dynamic Metabolic Biomarkers in Physical Activity.

Directory of Open Access Journals (Sweden)

Marc Breit

2015-08-01

Full Text Available The objectives of this work were the classification of dynamic metabolic biomarker candidates and the modeling and characterization of kinetic regulatory mechanisms in human metabolism with response to external perturbations by physical activity. Longitudinal metabolic concentration data of 47 individuals from 4 different groups were examined, obtained from a cycle ergometry cohort study. In total, 110 metabolites (within the classes of acylcarnitines, amino acids, and sugars were measured through a targeted metabolomics approach, combining tandem mass spectrometry (MS/MS with the concept of stable isotope dilution (SID for metabolite quantitation. Biomarker candidates were selected by combined analysis of maximum fold changes (MFCs in concentrations and P-values resulting from statistical hypothesis testing. Characteristic kinetic signatures were identified through a mathematical modeling approach utilizing polynomial fitting. Modeled kinetic signatures were analyzed for groups with similar behavior by applying hierarchical cluster analysis. Kinetic shape templates were characterized, defining different forms of basic kinetic response patterns, such as sustained, early, late, and other forms, that can be used for metabolite classification. Acetylcarnitine (C2, showing a late response pattern and having the highest values in MFC and statistical significance, was classified as late marker and ranked as strong predictor (MFC = 1.97, P < 0.001. In the class of amino acids, highest values were shown for alanine (MFC = 1.42, P < 0.001, classified as late marker and strong predictor. Glucose yields a delayed response pattern, similar to a hockey stick function, being classified as delayed marker and ranked as moderate predictor (MFC = 1.32, P < 0.001. These findings coincide with existing knowledge on central metabolic pathways affected in exercise physiology, such as β-oxidation of fatty acids, glycolysis, and glycogenolysis. The presented modeling

Comparison of quasi-static and dynamic squats: a three-dimensional kinematic, kinetic and electromyographic study of the lower limbs.

Science.gov (United States)

Clément, Julien; Hagemeister, Nicola; Aissaoui, Rachid; de Guise, Jacques A

2014-01-01

Numerous studies have described 3D kinematics, 3D kinetics and electromyography (EMG) of the lower limbs during quasi-static or dynamic squatting activities. One study compared these two squatting conditions but only at low speed on healthy subjects, and provided no information on kinetics and EMG of the lower limbs. The purpose of the present study was to contrast simultaneous recordings of 3D kinematics, 3D kinetics and EMG of the lower limbs during quasi-stat ic and fast-dynamic squats in healthy and pathological subjects. Ten subjects were recruited: five healthy and five osteoarthritis subjects. A motion-capture system, force plate, and surface electrodes respectively recorded 3D kinematics, 3D kinetics and EMG of the lower limbs. Each subject performed a quasi-static squat and several fast-dynamic squats from 0° to 70° of knee flexion. The two squatting conditions were compared for positions where quasi-static and fast-dynamic knee flexion-extension angles were similar. Mean differences between quasi-static and fast-dynamic squats were 1.5° for rotations, 1.9 mm for translations, 2.1% of subjects' body weight for ground reaction forces, 6.6 Nm for torques, 11.2 mm for center of pressure, and 6.3% of maximum fast-dynamic electromyographic activities for EMG. Some significant differences (psquats were small. 69.5% of compared data were equivalent. In conclusion, this study showed that quasi-static and fast-dynamic squatting activities are comparable in terms of 3D kinematics, 3D kinetics and EMG, although some reservations still remain. Copyright © 2014 Elsevier B.V. All rights reserved.

A thermostatted kinetic theory model for event-driven pedestrian dynamics

Science.gov (United States)

Bianca, Carlo; Mogno, Caterina

2018-06-01

This paper is devoted to the modeling of the pedestrian dynamics by means of the thermostatted kinetic theory. Specifically the microscopic interactions among pedestrians and an external force field are modeled for simulating the evacuation of pedestrians from a metro station. The fundamentals of the stochastic game theory and the thermostatted kinetic theory are coupled for the derivation of a specific mathematical model which depicts the time evolution of the distribution of pedestrians at different exits of a metro station. The perturbation theory is employed in order to establish the stability analysis of the nonequilibrium stationary states in the case of a metro station consisting of two exits. A general sensitivity analysis on the initial conditions, the magnitude of the external force field and the number of exits is presented by means of numerical simulations which, in particular, show how the asymptotic distribution and the convergence time are affected by the presence of an external force field. The results show how, in evacuation conditions, the interaction dynamics among pedestrians can be negligible with respect to the external force. The important role of the thermostat term in allowing the reaching of the nonequilibrium stationary state is stressed out. Research perspectives are underlined at the end of paper, in particular for what concerns the derivation of frameworks that take into account the definition of local external actions and the introduction of the space and velocity dynamics.

Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

Energy Technology Data Exchange (ETDEWEB)

Nesbitt, David J. [Research/Professor

2013-08-06

Spectroscopy, kinetics and dynamics of jet cooled hydrocarbon transients relevant to the DOE combustion mission have been explored, exploiting i) high resolution IR lasers, ii) slit discharge sources for formation of jet cooled radicals, and iii) high sensitivity detection with direct laser absorption methods and near the quantum shot noise limit. What makes this combination powerful is that such transients can be made under high concentrations and pressures characteristic of actual combustion conditions, and yet with the resulting species rapidly cooled (T ≈10-15K) in the slit supersonic expansion. Combined with the power of IR laser absorption methods, this provides novel access to spectral detection and study of many critical combustion species.

Electron and proton kinetics and dynamics in flaring atmospheres

CERN Document Server

Zharkova, Valentina

2012-01-01

This timely book presents new research results on high-energy particle physics related to solar flares, covering the theory and applications of the reconnection process in a clear and comprehensible way. It investigates particle kinetics and dynamics in flaring atmospheres and their diagnostics from spectral observations, while providing an analysis of the observation data and techniques and comparing various models. Written by an internationally acclaimed expert, this is vital reading for all solar, astro-, and plasma physicists working in the field.

Two-channel totally asymmetric simple exclusion processes

International Nuclear Information System (INIS)

Pronina, Ekaterina; Kolomeisky, Anatoly B

2004-01-01

Totally asymmetric simple exclusion processes, consisting of two coupled parallel lattice chains with particles interacting with hard-core exclusion and moving along the channels and between them, are considered. In the limit of strong coupling between the channels, the particle currents, density profiles and a phase diagram are calculated exactly by mapping the system into an effective one-channel totally asymmetric exclusion model. For intermediate couplings, a simple approximate theory, that describes the particle dynamics in vertical clusters of two corresponding parallel sites exactly and neglects the correlations between different vertical clusters, is developed. It is found that, similarly to the case of one-channel totally asymmetric simple exclusion processes, there are three stationary state phases, although the phase boundaries and stationary properties strongly depend on inter-channel coupling. Extensive computer Monte Carlo simulations fully support the theoretical predictions

Ultrafast dynamics of laser-pulse excited semiconductors: non-Markovian quantum kinetic equations with nonequilibrium correlations

Directory of Open Access Journals (Sweden)

V.V.Ignatyuk

2004-01-01

Full Text Available Non-Markovian kinetic equations in the second Born approximation are derived for a two-zone semiconductor excited by a short laser pulse. Both collision dynamics and running nonequilibrium correlations are taken into consideration. The energy balance and relaxation of the system to equilibrium are discussed. Results of numerical solution of the kinetic equations for carriers and phonons are presented.

Dynamic PET of human liver inflammation: impact of kinetic modeling with optimization-derived dual-blood input function.

Science.gov (United States)

Wang, Guobao; Corwin, Michael T; Olson, Kristin A; Badawi, Ramsey D; Sarkar, Souvik

2018-05-30

The hallmark of nonalcoholic steatohepatitis is hepatocellular inflammation and injury in the setting of hepatic steatosis. Recent work has indicated that dynamic 18F-FDG PET with kinetic modeling has the potential to assess hepatic inflammation noninvasively, while static FDG-PET did not show a promise. Because the liver has dual blood supplies, kinetic modeling of dynamic liver PET data is challenging in human studies. The objective of this study is to evaluate and identify a dual-input kinetic modeling approach for dynamic FDG-PET of human liver inflammation. Fourteen human patients with nonalcoholic fatty liver disease were included in the study. Each patient underwent one-hour dynamic FDG-PET/CT scan and had liver biopsy within six weeks. Three models were tested for kinetic analysis: traditional two-tissue compartmental model with an image-derived single-blood input function (SBIF), model with population-based dual-blood input function (DBIF), and modified model with optimization-derived DBIF through a joint estimation framework. The three models were compared using Akaike information criterion (AIC), F test and histopathologic inflammation reference. The results showed that the optimization-derived DBIF model improved the fitting of liver time activity curves and achieved lower AIC values and higher F values than the SBIF and population-based DBIF models in all patients. The optimization-derived model significantly increased FDG K1 estimates by 101% and 27% as compared with traditional SBIF and population-based DBIF. K1 by the optimization-derived model was significantly associated with histopathologic grades of liver inflammation while the other two models did not provide a statistical significance. In conclusion, modeling of DBIF is critical for kinetic analysis of dynamic liver FDG-PET data in human studies. The optimization-derived DBIF model is more appropriate than SBIF and population-based DBIF for dynamic FDG-PET of liver inflammation. © 2018

Thermogravimetric pyrolysis kinetics of bamboo waste via Asymmetric Double Sigmoidal (Asym2sig) function deconvolution.

Science.gov (United States)

Chen, Chuihan; Miao, Wei; Zhou, Cheng; Wu, Hongjuan

2017-02-01

Thermogravimetric kinetic of bamboo waste (BW) pyrolysis has been studied using Asymmetric Double Sigmoidal (Asym2sig) function deconvolution. Through deconvolution, BW pyrolytic profiles could be separated into three reactions well, each of which corresponded to pseudo hemicelluloses (P-HC), pseudo cellulose (P-CL), and pseudo lignin (P-LG) decomposition. Based on Friedman method, apparent activation energy of P-HC, P-CL, P-LG was found to be 175.6kJ/mol, 199.7kJ/mol, and 158.4kJ/mol, respectively. Energy compensation effects (lnk 0, z vs. E z ) of pseudo components were in well linearity, from which pre-exponential factors (k 0 ) were determined as 6.22E+11s -1 (P-HC), 4.50E+14s -1 (P-CL) and 1.3E+10s -1 (P-LG). Integral master-plots results showed pyrolytic mechanism of P-HC, P-CL, and P-LG was reaction order of f(α)=(1-α) 2 , f(α)=1-α and f(α)=(1-α) n (n=6-8), respectively. Mechanism of P-HC and P-CL could be further reconstructed to n-th order Avrami-Erofeyev model of f(α)=0.62(1-α)[-ln(1-α)] -0.61 (n=0.62) and f(α)=1.08(1-α)[-ln(1-α)] 0.074 (n=1.08). Two-steps reaction was more suitable for P-LG pyrolysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

A method for estimation of elasticities in metabolic networks using steady state and dynamic metabolomics data and linlog kinetics

Directory of Open Access Journals (Sweden)

van Gulik Walter M

2006-12-01

Full Text Available Abstract Background Dynamic modeling of metabolic reaction networks under in vivo conditions is a crucial step in order to obtain a better understanding of the (disfunctioning of living cells. So far dynamic metabolic models generally have been based on mechanistic rate equations which often contain so many parameters that their identifiability from experimental data forms a serious problem. Recently, approximative rate equations, based on the linear logarithmic (linlog format have been proposed as a suitable alternative with fewer parameters. Results In this paper we present a method for estimation of the kinetic model parameters, which are equal to the elasticities defined in Metabolic Control Analysis, from metabolite data obtained from dynamic as well as steady state perturbations, using the linlog kinetic format. Additionally, we address the question of parameter identifiability from dynamic perturbation data in the presence of noise. The method is illustrated using metabolite data generated with a dynamic model of the glycolytic pathway of Saccharomyces cerevisiae based on mechanistic rate equations. Elasticities are estimated from the generated data, which define the complete linlog kinetic model of the glycolysis. The effect of data noise on the accuracy of the estimated elasticities is presented. Finally, identifiable subset of parameters is determined using information on the standard deviations of the estimated elasticities through Monte Carlo (MC simulations. Conclusion The parameter estimation within the linlog kinetic framework as presented here allows the determination of the elasticities directly from experimental data from typical dynamic and/or steady state experiments. These elasticities allow the reconstruction of the full kinetic model of Saccharomyces cerevisiae, and the determination of the control coefficients. MC simulations revealed that certain elasticities are potentially unidentifiable from dynamic data only

Solving kinetic equations with adaptive mesh in phase space for rarefied gas dynamics and plasma physics (Invited)

International Nuclear Information System (INIS)

Kolobov, Vladimir; Arslanbekov, Robert; Frolova, Anna

2014-01-01

The paper describes an Adaptive Mesh in Phase Space (AMPS) technique for solving kinetic equations with deterministic mesh-based methods. The AMPS technique allows automatic generation of adaptive Cartesian mesh in both physical and velocity spaces using a Tree-of-Trees data structure. We illustrate advantages of AMPS for simulations of rarefied gas dynamics and electron kinetics on low temperature plasmas. In particular, we consider formation of the velocity distribution functions in hypersonic flows, particle kinetics near oscillating boundaries, and electron kinetics in a radio-frequency sheath. AMPS provide substantial savings in computational cost and increased efficiency of the mesh-based kinetic solvers

Solving kinetic equations with adaptive mesh in phase space for rarefied gas dynamics and plasma physics (Invited)

Energy Technology Data Exchange (ETDEWEB)

Kolobov, Vladimir [CFD Research Corporation, Huntsville, AL 35805, USA and The University of Alabama in Huntsville, Huntsville, AL 35805 (United States); Arslanbekov, Robert [CFD Research Corporation, Huntsville, AL 35805 (United States); Frolova, Anna [Computing Center of the Russian Academy of Sciences, Moscow, 119333 (Russian Federation)

2014-12-09

The paper describes an Adaptive Mesh in Phase Space (AMPS) technique for solving kinetic equations with deterministic mesh-based methods. The AMPS technique allows automatic generation of adaptive Cartesian mesh in both physical and velocity spaces using a Tree-of-Trees data structure. We illustrate advantages of AMPS for simulations of rarefied gas dynamics and electron kinetics on low temperature plasmas. In particular, we consider formation of the velocity distribution functions in hypersonic flows, particle kinetics near oscillating boundaries, and electron kinetics in a radio-frequency sheath. AMPS provide substantial savings in computational cost and increased efficiency of the mesh-based kinetic solvers.

Financial Knudsen number: Breakdown of continuous price dynamics and asymmetric buy-and-sell structures confirmed by high-precision order-book information.

Science.gov (United States)

Yura, Yoshihiro; Takayasu, Hideki; Sornette, Didier; Takayasu, Misako

2015-10-01

We generalize the description of the dynamics of the order book of financial markets in terms of a Brownian particle embedded in a fluid of incoming, exiting, and annihilating particles by presenting a model of the velocity on each side (buy and sell) independently. The improved model builds on the time-averaged number of particles in the inner layer and its change per unit time, where the inner layer is revealed by the correlations between price velocity and change in the number of particles (limit orders). This allows us to introduce the Knudsen number of the financial Brownian particle motion and its asymmetric version (on the buy and sell sides). Not being considered previously, the asymmetric Knudsen numbers are crucial in finance in order to detect asymmetric price changes. The Knudsen numbers allows us to characterize the conditions for the market dynamics to be correctly described by a continuous stochastic process. Not questioned until now for large liquid markets such as the USD-JPY and EUR-USD exchange rates, we show that there are regimes when the Knudsen numbers are so high that discrete particle effects dominate, such as during market stresses and crashes. We document the presence of imbalances of particles depletion rates on the buy and sell sides that are associated with high Knudsen numbers and violent directional price changes. This indicator can detect the direction of the price motion at the early stage while the usual volatility risk measure is blind to the price direction.

Financial Knudsen number: Breakdown of continuous price dynamics and asymmetric buy-and-sell structures confirmed by high-precision order-book information

Science.gov (United States)

Yura, Yoshihiro; Takayasu, Hideki; Sornette, Didier; Takayasu, Misako

2015-10-01

We generalize the description of the dynamics of the order book of financial markets in terms of a Brownian particle embedded in a fluid of incoming, exiting, and annihilating particles by presenting a model of the velocity on each side (buy and sell) independently. The improved model builds on the time-averaged number of particles in the inner layer and its change per unit time, where the inner layer is revealed by the correlations between price velocity and change in the number of particles (limit orders). This allows us to introduce the Knudsen number of the financial Brownian particle motion and its asymmetric version (on the buy and sell sides). Not being considered previously, the asymmetric Knudsen numbers are crucial in finance in order to detect asymmetric price changes. The Knudsen numbers allows us to characterize the conditions for the market dynamics to be correctly described by a continuous stochastic process. Not questioned until now for large liquid markets such as the USD-JPY and EUR-USD exchange rates, we show that there are regimes when the Knudsen numbers are so high that discrete particle effects dominate, such as during market stresses and crashes. We document the presence of imbalances of particles depletion rates on the buy and sell sides that are associated with high Knudsen numbers and violent directional price changes. This indicator can detect the direction of the price motion at the early stage while the usual volatility risk measure is blind to the price direction.

Dynamic Modeling of Cell-Free Biochemical Networks Using Effective Kinetic Models

Directory of Open Access Journals (Sweden)

Joseph A. Wayman

2015-03-01

Full Text Available Cell-free systems offer many advantages for the study, manipulation and modeling of metabolism compared to in vivo processes. Many of the challenges confronting genome-scale kinetic modeling can potentially be overcome in a cell-free system. For example, there is no complex transcriptional regulation to consider, transient metabolic measurements are easier to obtain, and we no longer have to consider cell growth. Thus, cell-free operation holds several significant advantages for model development, identification and validation. Theoretically, genome-scale cell-free kinetic models may be possible for industrially important organisms, such as E. coli, if a simple, tractable framework for integrating allosteric regulation with enzyme kinetics can be formulated. Toward this unmet need, we present an effective biochemical network modeling framework for building dynamic cell-free metabolic models. The key innovation of our approach is the integration of simple effective rules encoding complex allosteric regulation with traditional kinetic pathway modeling. We tested our approach by modeling the time evolution of several hypothetical cell-free metabolic networks. We found that simple effective rules, when integrated with traditional enzyme kinetic expressions, captured complex allosteric patterns such as ultrasensitivity or non-competitive inhibition in the absence of mechanistic information. Second, when integrated into network models, these rules captured classic regulatory patterns such as product-induced feedback inhibition. Lastly, we showed, at least for the network architectures considered here, that we could simultaneously estimate kinetic parameters and allosteric connectivity from synthetic data starting from an unbiased collection of possible allosteric structures using particle swarm optimization. However, when starting with an initial population that was heavily enriched with incorrect structures, our particle swarm approach could converge

Controllable asymmetric transmission via gap-tunable acoustic metasurface

Science.gov (United States)

Liu, Bingyi; Jiang, Yongyuan

2018-04-01

In this work, we utilize the acoustic gradient metasurface (AGM) of a bilayer configuration to realize the controllable asymmetric transmission. Relying on the adjustable gap between the two composing layers, the metasurface could switch from symmetric transmission to asymmetric transmission at a certain gap value. The underlying mechanism is attributed to the interference between the forward diffracted waves scattered by the surface bound waves at two air-AGM interfaces, which is apparently influenced by the interlayer distance. We further utilize the hybrid acoustic elements to construct the desired gradient metasurface with a tunable gap and validate the controllable asymmetric transmission with full-wave simulations. Our work provides the solution for actively controlling the transmission property of an acoustic element, which shows potential application in acoustic communication as a dynamic tunable acoustic diode.

High resolution kinetic beam schemes in generalized coordinates for ideal quantum gas dynamics

International Nuclear Information System (INIS)

Shi, Yu-Hsin; Huang, J.C.; Yang, J.Y.

2007-01-01

A class of high resolution kinetic beam schemes in multiple space dimensions in general coordinates system for the ideal quantum gas is presented for the computation of quantum gas dynamical flows. The kinetic Boltzmann equation approach is adopted and the local equilibrium quantum statistics distribution is assumed. High-order accurate methods using essentially non-oscillatory interpolation concept are constructed. Computations of shock wave diffraction by a circular cylinder in an ideal quantum gas are conducted to illustrate the present method. The present method provides a viable means to explore various practical ideal quantum gas flows

Application of point kinetic model in the study of fluidized bed reactor dynamic

International Nuclear Information System (INIS)

Borges, Volnei; Vilhena, Marco Tullio de; Streck, Elaine E.

1995-01-01

In this work the dynamical behavior of the fluidized bed nuclear reactor is analysed. The main goal consist to study the effect of the acceleration term in the point kinetic equations. Numerical simulations are reported considering constant acceleration. (author). 7 refs, 4 figs

Kinetic analysis of dynamic 18F-fluoromisonidazole PET correlates with radiation treatment outcome in head-and-neck cancer

Directory of Open Access Journals (Sweden)

Paulsen Frank

2005-12-01

Full Text Available Abstract Background Hypoxia compromises local control in patients with head-and-neck cancer (HNC. In order to determine the value of [18F]-fluoromisonidazole (Fmiso with regard to tumor hypoxia, a patient study with dynamic Fmiso PET was performed. For a better understanding of tracer uptake and distribution, a kinetic model was developed to analyze dynamic Fmiso PET data. Methods For 15 HNC patients, dynamic Fmiso PET examinations were performed prior to radiotherapy (RT treatment. The data was analyzed using a two compartment model, which allows the determination of characteristic hypoxia and perfusion values. For different parameters, such as patient age, tumor size and standardized uptake value, the correlation to treatment outcome was tested using the Wilcoxon-Mann-Whitney U-test. Statistical tests were also performed for hypoxia and perfusion parameters determined by the kinetic model and for two different metrics based on these parameters. Results The kinetic Fmiso analysis extracts local hypoxia and perfusion characteristics of a tumor tissue. These parameters are independent quantities. In this study, different types of characteristic hypoxia-perfusion patterns in tumors could be identified. The clinical verification of the results, obtained on the basis of the kinetic analysis, showed a high correlation of hypoxia-perfusion patterns and RT treatment outcome (p = 0.001 for this initial patient group. Conclusion The presented study established, that Fmiso PET scans may benefit from dynamic acquisition and analysis by a kinetic model. The pattern of distribution of perfusion and hypoxia in the tissue is correlated to local control in HNC.

Programming chemical kinetics: engineering dynamic reaction networks with DNA strand displacement

Science.gov (United States)

Srinivas, Niranjan

Over the last century, the silicon revolution has enabled us to build faster, smaller and more sophisticated computers. Today, these computers control phones, cars, satellites, assembly lines, and other electromechanical devices. Just as electrical wiring controls electromechanical devices, living organisms employ "chemical wiring" to make decisions about their environment and control physical processes. Currently, the big difference between these two substrates is that while we have the abstractions, design principles, verification and fabrication techniques in place for programming with silicon, we have no comparable understanding or expertise for programming chemistry. In this thesis we take a small step towards the goal of learning how to systematically engineer prescribed non-equilibrium dynamical behaviors in chemical systems. We use the formalism of chemical reaction networks (CRNs), combined with mass-action kinetics, as our programming language for specifying dynamical behaviors. Leveraging the tools of nucleic acid nanotechnology (introduced in Chapter 1), we employ synthetic DNA molecules as our molecular architecture and toehold-mediated DNA strand displacement as our reaction primitive. Abstraction, modular design and systematic fabrication can work only with well-understood and quantitatively characterized tools. Therefore, we embark on a detailed study of the "device physics" of DNA strand displacement (Chapter 2). We present a unified view of strand displacement biophysics and kinetics by studying the process at multiple levels of detail, using an intuitive model of a random walk on a 1-dimensional energy landscape, a secondary structure kinetics model with single base-pair steps, and a coarse-grained molecular model that incorporates three-dimensional geometric and steric effects. Further, we experimentally investigate the thermodynamics of three-way branch migration. Our findings are consistent with previously measured or inferred rates for

Asymmetric information and economics

Science.gov (United States)

Frieden, B. Roy; Hawkins, Raymond J.

2010-01-01

We present an expression of the economic concept of asymmetric information with which it is possible to derive the dynamical laws of an economy. To illustrate the utility of this approach we show how the assumption of optimal information flow leads to a general class of investment strategies including the well-known Q theory of Tobin. Novel consequences of this formalism include a natural definition of market efficiency and an uncertainty principle relating capital stock and investment flow.

Effects of self-coupling and asymmetric output on metastable dynamical transient firing patterns in arrays of neurons with bidirectional inhibitory coupling.

Science.gov (United States)

Horikawa, Yo

2016-04-01

Metastable dynamical transient patterns in arrays of bidirectionally coupled neurons with self-coupling and asymmetric output were studied. First, an array of asymmetric sigmoidal neurons with symmetric inhibitory bidirectional coupling and self-coupling was considered and the bifurcations of its steady solutions were shown. Metastable dynamical transient spatially nonuniform states existed in the presence of a pair of spatially symmetric stable solutions as well as unstable spatially nonuniform solutions in a restricted range of the output gain of a neuron. The duration of the transients increased exponentially with the number of neurons up to the maximum number at which the spatially nonuniform steady solutions were stabilized. The range of the output gain for which they existed reduced as asymmetry in a sigmoidal output function of a neuron increased, while the existence range expanded as the strength of inhibitory self-coupling increased. Next, arrays of spiking neuron models with slow synaptic inhibitory bidirectional coupling and self-coupling were considered with computer simulation. In an array of Class 1 Hindmarsh-Rose type models, in which each neuron showed a graded firing rate, metastable dynamical transient firing patterns were observed in the presence of inhibitory self-coupling. This agreed with the condition for the existence of metastable dynamical transients in an array of sigmoidal neurons. In an array of Class 2 Bonhoeffer-van der Pol models, in which each neuron had a clear threshold between firing and resting, long-lasting transient firing patterns with bursting and irregular motion were observed. Copyright © 2016 Elsevier Ltd. All rights reserved.

The Respiratory Impedance in an Asymmetric Model of the Lung Structure

Directory of Open Access Journals (Sweden)

Robin De Keyser

2011-01-01

Full Text Available This paper presents a model of the respiratory tree as a recurrent, but asymmetric, structure. The intrinsic properties posed by such a system lead to a multi-fractal structure, i.e. a non-integer order model of the total impedance. The fractional order behavior of the asymmetric tree simulated as a dynamic system is assessed by means of Bode plots, on a wide range of frequencies. The results indicate than in a specific frequency range, both the symmetric
and asymmetric representation of the respiratory tree lead to similar values in the impedance.

Role of nuclear dynamics in the asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO2

International Nuclear Information System (INIS)

Miyabe, S.; Haxton, D. J.; Rescigno, T. N.; McCurdy, C. W.

2011-01-01

We report the results of semiclassical calculations of the asymmetric molecular-frame photoelectron angular distributions for C 1s ionization of CO 2 measured with respect to the CO + and O + ions produced by subsequent Auger decay, and show how the decay event can be used to probe ultrafast molecular dynamics of the transient cation. The fixed-nuclei photoionization amplitudes were constructed using variationally obtained electron-molecular-ion scattering wave functions. The amplitudes are then used in a semiclassical manner to investigate their dependence on the nuclear dynamics of the cation. The method introduced here can be used to study other core-level ionization events.

Dynamic response of the ITER tokamak during asymmetric VDEs

International Nuclear Information System (INIS)

Schioler, Tyge; Bachmann, Christian; Mazzone, Giuseppe; Sannazzaro, Giulio

2011-01-01

During the operational life of ITER, it is expected that a number of vertical displacement events (VDEs) will occur. A sub-class of these events, 'slow' asymmetric VDEs, is of particular interest from a structural point of view. This is because the forces generated during such events are both substantial and sufficiently long-lasting to significantly excite the structure. It is necessary to establish that the absolute and relative displacements of components, as well as internal and external forces, stay within acceptable limits during these events. Previous studies have investigated this problem using relatively simple models and non-rotating loads. A new, more detailed, 360-degree model was developed, and used to assess the effects of asymmetric VDEs. This paper presents the main results of this investigation. It is shown that the distance between the VV and the TFC at the inboard wall can decrease by as much as 19 mm at the equatorial plane, and that the vertical reaction force in the Vacuum Vessel supports can reach 15 MN.

Effect of dissipation on dynamical fusion thresholds

International Nuclear Information System (INIS)

Sierk, A.J.

1986-01-01

The existence of dynamical thresholds to fusion in heavy nuclei (A greater than or equal to 200) due to the nature of the potential-energy surface is shown. These thresholds exist even in the absence of dissipative forces, due to the coupling between the various collective deformation degrees of freedom. Using a macroscopic model of nuclear shape dynamics, It is shown how three different suggested dissipation mechanisms increase by varying amounts the excitation energy over the one-dimensional barrier required to cause compound-nucleus formation. The recently introduced surface-plus-window dissipation may give a reasonable representation of experimental data on fusion thresholds, in addition to properly describing fission-fragment kinetic energies and isoscalar giant multipole widths. Scaling of threshold results to asymmetric systems is discussed. 48 refs., 10 figs

Extracting a respiratory signal from raw dynamic PET data that contain tracer kinetics.

Science.gov (United States)

Schleyer, P J; Thielemans, K; Marsden, P K

2014-08-07

Data driven gating (DDG) methods provide an alternative to hardware based respiratory gating for PET imaging. Several existing DDG approaches obtain a respiratory signal by observing the change in PET-counts within specific regions of acquired PET data. Currently, these methods do not allow for tracer kinetics which can interfere with the respiratory signal and introduce error. In this work, we produced a DDG method for dynamic PET studies that exhibit tracer kinetics. Our method is based on an existing approach that uses frequency-domain analysis to locate regions within raw PET data that are subject to respiratory motion. In the new approach, an optimised non-stationary short-time Fourier transform was used to create a time-varying 4D map of motion affected regions. Additional processing was required to ensure that the relationship between the sign of the respiratory signal and the physical direction of movement remained consistent for each temporal segment of the 4D map. The change in PET-counts within the 4D map during the PET acquisition was then used to generate a respiratory curve. Using 26 min dynamic cardiac NH3 PET acquisitions which included a hardware derived respiratory measurement, we show that tracer kinetics can severely degrade the respiratory signal generated by the original DDG method. In some cases, the transition of tracer from the liver to the lungs caused the respiratory signal to invert. The new approach successfully compensated for tracer kinetics and improved the correlation between the data-driven and hardware based signals. On average, good correlation was maintained throughout the PET acquisitions.

Preclinical dynamic 18F-FDG PET - tumor characterization and radiotherapy response assessment by kinetic compartment analysis

International Nuclear Information System (INIS)

Roee, Kathrine; Aleksandersen, Thomas B.; Nilsen, Line B.; Hong Qu; Ree, Anne H.; Malinen, Eirik; Kristian, Alexandr; Seierstad, Therese; Olsen, Dag R.

2010-01-01

Background. Non-invasive visualization of tumor biological and molecular processes of importance to diagnosis and treatment response is likely to be critical in individualized cancer therapy. Since conventional static 18 F-FDG PET with calculation of the semi-quantitative parameter standardized uptake value (SUV) may be subject to many sources of variability, we here present an approach of quantifying the 18 F-FDG uptake by analytic two-tissue compartment modeling, extracting kinetic tumor parameters from dynamic 18 F-FDG PET. Further, we evaluate the potential of such parameters in radiotherapy response assessment. Material and methods. Male, athymic mice with prostate carcinoma xenografts were subjected to dynamic PET either untreated (n=8) or 24 h post-irradiation (7.5 Gy single dose, n=8). After 10 h of fasting, intravenous bolus injections of 10-15 MBq 18 F-FDG were administered and a 1 h dynamic PET scan was performed. 4D emission data were reconstructed using OSEM-MAP, before remote post-processing. Individual arterial input functions were extracted from the image series. Subsequently, tumor 18 F-FDG uptake was fitted voxel-by-voxel to a compartment model, producing kinetic parameter maps. Results. The kinetic model separated the 18 F-FDG uptake into free and bound tracer and quantified three parameters; forward tracer diffusion (k1), backward tracer diffusion (k2), and rate of 18 F-FDG phosphorylation, i.e. the glucose metabolism (k3). The fitted kinetic model gave a goodness of fit (r2) to the observed data ranging from 0.91 to 0.99, and produced parametrical images of all tumors included in the study. Untreated tumors showed homogeneous intra-group median values of all three parameters (k1, k2 and k3), whereas the parameters significantly increased in the tumors irradiated 24 h prior to 18 F-FDG PET. Conclusions. This study demonstrates the feasibility of a two-tissue compartment kinetic analysis of dynamic 18 F-FDG PET images. If validated, extracted

Nitrate denitrification with nitrite or nitrous oxide as intermediate products: Stoichiometry, kinetics and dynamics of stable isotope signatures.

Science.gov (United States)

Vavilin, V A; Rytov, S V

2015-09-01

A kinetic analysis of nitrate denitrification by a single or two species of denitrifying bacteria with glucose or ethanol as a carbon source and nitrite or nitrous oxide as intermediate products was performed using experimental data published earlier (Menyailo and Hungate, 2006; Vidal-Gavilan et al., 2013). Modified Monod kinetics was used in the dynamic biological model. The special equations were added to the common dynamic biological model to describe how isotopic fractionation between N species changes. In contrast to the generally assumed first-order kinetics, in this paper, the traditional Rayleigh equation describing stable nitrogen and oxygen isotope fractionation in nitrate was derived from the dynamic isotopic equations for any type of kinetics. In accordance with the model, in Vidal-Gavilan's experiments, the maximum specific rate of nitrate reduction was proved to be less for ethanol compared to glucose. Conversely, the maximum specific rate of nitrite reduction was proved to be much less for glucose compared to ethanol. Thus, the intermediate nitrite concentration was negligible for the ethanol experiment, while it was significant for the glucose experiment. In Menyailo's and Hungate's experiments, the low value of maximum specific rate of nitrous oxide reduction gives high intermediate value of nitrous oxide concentration. The model showed that the dynamics of nitrogen and oxygen isotope signatures are responding to the biological dynamics. Two microbial species instead of single denitrifying bacteria are proved to be more adequate to describe the total process of nitrate denitrification to dinitrogen. Copyright © 2015 Elsevier Ltd. All rights reserved.

Method development of damage detection in asymmetric buildings

Science.gov (United States)

Wang, Yi; Thambiratnam, David P.; Chan, Tommy H. T.; Nguyen, Andy

2018-01-01

Aesthetics and functionality requirements have caused most buildings to be asymmetric in recent times. Such buildings exhibit complex vibration characteristics under dynamic loads as there is coupling between the lateral and torsional components of vibration, and are referred to as torsionally coupled buildings. These buildings require three dimensional modelling and analysis. In spite of much recent research and some successful applications of vibration based damage detection methods to civil structures in recent years, the applications to asymmetric buildings has been a challenging task for structural engineers. There has been relatively little research on detecting and locating damage specific to torsionally coupled asymmetric buildings. This paper aims to compare the difference in vibration behaviour between symmetric and asymmetric buildings and then use the vibration characteristics for predicting damage in them. The need for developing a special method to detect damage in asymmetric buildings thus becomes evident. Towards this end, this paper modifies the traditional modal strain energy based damage index by decomposing the mode shapes into their lateral and vertical components and to form component specific damage indices. The improved approach is then developed by combining the modified strain energy based damage indices with the modal flexibility method which was modified to suit three dimensional structures to form a new damage indicator. The procedure is illustrated through numerical studies conducted on three dimensional five-story symmetric and asymmetric frame structures with the same layout, after validating the modelling techniques through experimental testing of a laboratory scale asymmetric building model. Vibration parameters obtained from finite element analysis of the intact and damaged building models are then applied into the proposed algorithms for detecting and locating the single and multiple damages in these buildings. The results

Kinetic studies of ICF target dynamics with ePLAS

Science.gov (United States)

Mason, R. J.

2016-10-01

The ePLAS code was recently used1 to show that a modeling change from artificial to real viscosity can result in a decrease of the predicted performance of ICF targets. This code typically follows either fluid or PIC electrons with fluid ions in self-consistent E - and B - fields computed by the Implicit Moment Method2. For the present study the ions have instead been run as PIC particles undergoing Krook-like self-collisions. The ePLAS collision model continually redistributes the ion particle properties toward a local Maxwellian, while conserving the mean density, momentum and energy. Whereas the use of real viscosity captures large Knudsen Number effects as the active target dimensions shrink below the ion mean-free-path, the new kinetic modeling can manifest additional effects such as collisional shock precursors3 from the escape and streaming of the fastest particle ions. In 2D cylindrical geometry we will explore how such kinetic shock extensions might affect shell and core compression dynamics in ICF target implosions.

A stochastic spatial model of HIV dynamics with an asymmetric battle between the virus and the immune system

International Nuclear Information System (INIS)

Lin Hai; Shuai, J W

2010-01-01

A stochastic spatial model based on the Monte Carlo approach is developed to study the dynamics of human immunodeficiency virus (HIV) infection. We aim to propose a more detailed and realistic simulation frame by incorporating many important features of HIV dynamics, which include infections, replications and mutations of viruses, antigen recognitions, activations and proliferations of lymphocytes, and diffusions, encounters and interactions of virions and lymphocytes. Our model successfully reproduces the three-phase pattern observed in HIV infection, and the simulation results for the time distribution from infection to AIDS onset are also in good agreement with the clinical data. The interactions of viruses and the immune system in all the three phases are investigated. We assess the relative importance of various immune system components in the acute phase. The dynamics of how the two important factors, namely the viral diversity and the asymmetric battle between HIV and the immune system, result in AIDS are investigated in detail with the model.

Dynamic Ureas with Fast and pH-Independent Hydrolytic Kinetics.

Science.gov (United States)

Cai, Kaimin; Ying, Hanze; Cheng, Jianjun

2018-04-06

Low cost, high performance hydrolysable polymers are of great importance in biomedical applications and materials industries. While many applications require materials to have a degradation profile insensitive to external pH to achieve consistent release profiles under varying conditions, hydrolysable chemistry techniques developed so far have pH-dependent hydrolytic kinetics. This work reports the design and synthesis of a new type of hydrolysable polymer that has identical hydrolysis kinetics from pH 3 to 11. The unprecedented pH independent hydrolytic kinetics of the aryl ureas were shown to be related to the dynamic bond dissociation controlled hydrolysis mechanism; the resulting hindered poly(aryl urea) can be degraded with a hydrolysis half-life of 10 min in solution. More importantly, these fast degradable hindered aromatic polyureas can be easily prepared by addition polymerization from commercially available monomers and are resistant to hydrolysis in solid form for months under ambient storage conditions. The combined features of good stability in solid state and fast hydrolysis at various pH values is unprecedented in polyurea material, and will have implications for materials design and applications, such as sacrificial coatings and biomaterials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation of the hot flow behaviour of a medium carbon microalloyed steel. Part 2. Dynamic recrystallization: onset and kinetics

International Nuclear Information System (INIS)

Cabrera, J.M.; Al Omar, A.; Prado, J.M.

1997-01-01

According to the part 1 of this work, in this second part the dynamic recrystallization of a commercial medium carbon microalloyed steel is characterized from the point of view of its onset and kinetics. For this purpose uniaxial hot compression tests were carried out over a range of five orders of magnitude in strain rate and 300 degree centigree of temperature. Experimental results are compared with those reported in the literature and the possible effect of dynamic precipitation is also analyzed. It is verified that the kinetics of dynamics recrystallization can balefully be described by the classical Avrami equation. (Author) 42 refs

Kinetic and dynamic Delaunay tetrahedralizations in three dimensions

Science.gov (United States)

Schaller, Gernot; Meyer-Hermann, Michael

2004-09-01

We describe algorithms to implement fully dynamic and kinetic three-dimensional unconstrained Delaunay triangulations, where the time evolution of the triangulation is not only governed by moving vertices but also by a changing number of vertices. We use three-dimensional simplex flip algorithms, a stochastic visibility walk algorithm for point location and in addition, we propose a new simple method of deleting vertices from an existing three-dimensional Delaunay triangulation while maintaining the Delaunay property. As an example, we analyse the performance in various cases of practical relevance. The dual Dirichlet tessellation can be used to solve differential equations on an irregular grid, to define partitions in cell tissue simulations, for collision detection etc.

Stability of asymmetric lipid bilayers assessed by molecular dynamics simulations

NARCIS (Netherlands)

Esteban-Martin, Santi; Risselada, H. Jelger; Salgado, Jesus; Marrink, Siewert J.

2009-01-01

The asymmetric insertion of amphiphiles into biological membranes compromises the balance between the inner and outer monolayers. As a result, area expansion of the receiving leaflet and curvature strain may lead to membrane permeation, shape changes, or membrane fusion events. We have conducted

Optically Controlled Electron-Transfer Reaction Kinetics and Solvation Dynamics : Effect of Franck-Condon States

NARCIS (Netherlands)

Gupta, Kriti; Patra, Aniket; Dhole, Kajal; Samanta, Alok Kumar; Ghosh, Swapan K.

2017-01-01

Experimental results for optically controlled electron-transfer reaction kinetics (ETRK) and nonequilibrium solvation dynamics (NESD) of Coumarin 480 in DMPC vesicle show their dependence on excitation wavelength λex. However, the celebrated Marcus theory and linear-response-theory-based approaches

Textural kinetics: a novel dynamic contrast-enhanced (DCE)-MRI feature for breast lesion classification.

Science.gov (United States)

Agner, Shannon C; Soman, Salil; Libfeld, Edward; McDonald, Margie; Thomas, Kathleen; Englander, Sarah; Rosen, Mark A; Chin, Deanna; Nosher, John; Madabhushi, Anant

2011-06-01

Dynamic contrast-enhanced (DCE)-magnetic resonance imaging (MRI) of the breast has emerged as an adjunct imaging tool to conventional X-ray mammography due to its high detection sensitivity. Despite the increasing use of breast DCE-MRI, specificity in distinguishing malignant from benign breast lesions is low, and interobserver variability in lesion classification is high. The novel contribution of this paper is in the definition of a new DCE-MRI descriptor that we call textural kinetics, which attempts to capture spatiotemporal changes in breast lesion texture in order to distinguish malignant from benign lesions. We qualitatively and quantitatively demonstrated on 41 breast DCE-MRI studies that textural kinetic features outperform signal intensity kinetics and lesion morphology features in distinguishing benign from malignant lesions. A probabilistic boosting tree (PBT) classifier in conjunction with textural kinetic descriptors yielded an accuracy of 90%, sensitivity of 95%, specificity of 82%, and an area under the curve (AUC) of 0.92. Graph embedding, used for qualitative visualization of a low-dimensional representation of the data, showed the best separation between benign and malignant lesions when using textural kinetic features. The PBT classifier results and trends were also corroborated via a support vector machine classifier which showed that textural kinetic features outperformed the morphological, static texture, and signal intensity kinetics descriptors. When textural kinetic attributes were combined with morphologic descriptors, the resulting PBT classifier yielded 89% accuracy, 99% sensitivity, 76% specificity, and an AUC of 0.91.

Kinetic examination of the thyroid for an early detection of localized autonomy

International Nuclear Information System (INIS)

Das, B.K.; Kissel, H.J.; Schnabel, K.

1980-01-01

Early diagnosis of localised thyroid autonomy can in many cases be of high importance for the patient. By manifesting accelerated radioiodine kinetics in suspicious lobes or regions of the thyroid, autonomies of the thyroid can be detected early and definitely. Examination covered 50 euthyroidic patients showing only an asymmetric thyroidal configuration in the scintiscan. Unilateral determining of the radioiodine kinetics at the Auger-camera helped to find out if, and in how many cases, there is really an accelerated iodine metabolism in the thyroids represented asymmetrically. Fire of the examinated patients showed, compared with the opposite side, both increased iodine uptake and accelerated iodine output in the lobes which are seen more clearly in the scintiscan. This might be an indication of a very early stage of thyroidal autonomy. (orig.) [de

Stable walking with asymmetric legs

International Nuclear Information System (INIS)

Merker, Andreas; Rummel, Juergen; Seyfarth, Andre

2011-01-01

Asymmetric leg function is often an undesired side-effect in artificial legged systems and may reflect functional deficits or variations in the mechanical construction. It can also be found in legged locomotion in humans and animals such as after an accident or in specific gait patterns. So far, it is not clear to what extent differences in the leg function of contralateral limbs can be tolerated during walking or running. Here, we address this issue using a bipedal spring-mass model for simulating walking with compliant legs. With the help of the model, we show that considerable differences between contralateral legs can be tolerated and may even provide advantages to the robustness of the system dynamics. A better understanding of the mechanisms and potential benefits of asymmetric leg operation may help to guide the development of artificial limbs or the design novel therapeutic concepts and rehabilitation strategies.

Extracting a respiratory signal from raw dynamic PET data that contain tracer kinetics

International Nuclear Information System (INIS)

Schleyer, P J; Thielemans, K; Marsden, P K

2014-01-01

Data driven gating (DDG) methods provide an alternative to hardware based respiratory gating for PET imaging. Several existing DDG approaches obtain a respiratory signal by observing the change in PET-counts within specific regions of acquired PET data. Currently, these methods do not allow for tracer kinetics which can interfere with the respiratory signal and introduce error. In this work, we produced a DDG method for dynamic PET studies that exhibit tracer kinetics. Our method is based on an existing approach that uses frequency-domain analysis to locate regions within raw PET data that are subject to respiratory motion. In the new approach, an optimised non-stationary short-time Fourier transform was used to create a time-varying 4D map of motion affected regions. Additional processing was required to ensure that the relationship between the sign of the respiratory signal and the physical direction of movement remained consistent for each temporal segment of the 4D map. The change in PET-counts within the 4D map during the PET acquisition was then used to generate a respiratory curve. Using 26 min dynamic cardiac NH 3 PET acquisitions which included a hardware derived respiratory measurement, we show that tracer kinetics can severely degrade the respiratory signal generated by the original DDG method. In some cases, the transition of tracer from the liver to the lungs caused the respiratory signal to invert. The new approach successfully compensated for tracer kinetics and improved the correlation between the data-driven and hardware based signals. On average, good correlation was maintained throughout the PET acquisitions. (paper)

Dynamic structural change of the self-assembled lanthanum complex induced by lithium triflate for direct catalytic asymmetric aldol-Tishchenko reaction.

Science.gov (United States)

Horiuchi, Yoshihiro; Gnanadesikan, Vijay; Ohshima, Takashi; Masu, Hyuma; Katagiri, Kosuke; Sei, Yoshihisa; Yamaguchi, Kentaro; Shibasaki, Masakatsu

2005-09-05

The development of a direct catalytic asymmetric aldol-Tishchenko reaction and the nature of its catalyst are described. An aldol-Tishchenko reaction of various propiophenone derivatives with aromatic aldehydes was promoted by [LaLi3(binol)3] (LLB), and reactivity and enantioselectivity were dramatically enhanced by the addition of lithium trifluoromethanesulfonate (LiOTf). First, we observed a dynamic structural change of LLB by the addition of LiOTf using 13C NMR spectroscopy, electronspray ionization mass spectrometry (ESI-MS), and cold-spray ionization mass spectrometry (CSI-MS). X-ray crystallography revealed that the structure of the newly generated self-assembled complex was a binuclear [La2Li4(binaphthoxide)5] complex 6. A reverse structural change of complex 6 to LLB by the addition of one equivalent of Li2(binol) was also confirmed by ESI-MS and experimental results. The drastic concentration effects on the direct catalytic asymmetric aldol-Tishchenko reaction suggested that the addition of LiOTf to LLB generated an active oligomeric catalyst species.

Dynamic phase transitions and dynamic phase diagrams in the kinetic spin-5/2 Blume–Capel model in an oscillating external magnetic field: Effective-field theory and the Glauber-type stochastic dynamics approach

International Nuclear Information System (INIS)

Ertaş, Mehmet; Keskin, Mustafa; Deviren, Bayram

2012-01-01

Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume–Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h 0 /zJ) and (T/zJ, D/zJ), where T absolute temperature, h 0 , the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z). - Highlights: ► The effective-field theory is used to study the kinetic spin-5/2 Ising Blume–Capel model. ► Time variations of average order parameter have been studied to find phases in the system. ► The dynamic magnetization, hysteresis loop area and correlation have been calculated. ► The dynamic phase boundaries of the system depend on D/zJ. ► The dynamic phase diagrams are presented in the (T/zJ, h 0 /zJ) and (D/zJ, T/zJ) planes.

Dynamic phase transitions and dynamic phase diagrams in the kinetic spin-5/2 Blume-Capel model in an oscillating external magnetic field: Effective-field theory and the Glauber-type stochastic dynamics approach

Energy Technology Data Exchange (ETDEWEB)

Ertas, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey)

2012-04-15

Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume-Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h{sub 0}/zJ) and (T/zJ, D/zJ), where T absolute temperature, h{sub 0}, the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z). - Highlights: Black-Right-Pointing-Pointer The effective-field theory is used to study the kinetic spin-5/2 Ising Blume-Capel model. Black-Right-Pointing-Pointer Time variations of average order parameter have been studied to find phases in the system. Black-Right-Pointing-Pointer The dynamic magnetization, hysteresis loop area and correlation have been calculated. Black-Right-Pointing-Pointer The dynamic phase boundaries of the system depend on D/zJ. Black-Right-Pointing-Pointer The dynamic phase diagrams are presented in the (T/zJ, h{sub 0}/zJ) and (D/zJ, T/zJ) planes.

Asymmetric acoustic transmission in graded beam

Energy Technology Data Exchange (ETDEWEB)

Jing, Li, E-mail: lj94172350@hotmail.com [School of Mechanical Engineering and State Key laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, Shaanxi 710049 (China); Wu, Jiu Hui, E-mail: ejhwu@mail.xjtu.edu.cn [School of Mechanical Engineering and State Key laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, Shaanxi 710049 (China); Guan, Dong; Lu, Kuan [School of Mechanical Engineering and State Key laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, Shaanxi 710049 (China); Gao, Nansha [School of Marine Science and Technology, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China); Songhua, Cao [School of Mechanical Engineering and State Key laboratory for Strength and Vibration of Mechanical Structures, Xi’an Jiaotong University, Xi’an, Shaanxi 710049 (China)

2016-12-01

We demonstrate the dynamic effective material parameters and vibration performance of a graded beam. The structure of the beam was composed of several unit cells with different fill factors. The dispersion relations and energy band structures of each unit cell were calculated using the finite element method (FEM). The dynamic effective material parameters in each unit cell of the graded beam were determined by the dispersion relations and energy band structures. Longitudinal wave propagation was investigated using a numerical method and FEM. The results show that the graded beam allows asymmetric acoustic transmission over a wide range of frequencies.

Association between stride time fractality and gait adaptability during unperturbed and asymmetric walking.

Science.gov (United States)

Ducharme, Scott W; Liddy, Joshua J; Haddad, Jeffrey M; Busa, Michael A; Claxton, Laura J; van Emmerik, Richard E A

2018-04-01

Human locomotion is an inherently complex activity that requires the coordination and control of neurophysiological and biomechanical degrees of freedom across various spatiotemporal scales. Locomotor patterns must constantly be altered in the face of changing environmental or task demands, such as heterogeneous terrains or obstacles. Variability in stride times occurring at short time scales (e.g., 5-10 strides) is statistically correlated to larger fluctuations occurring over longer time scales (e.g., 50-100 strides). This relationship, known as fractal dynamics, is thought to represent the adaptive capacity of the locomotor system. However, this has not been tested empirically. Thus, the purpose of this study was to determine if stride time fractality during steady state walking associated with the ability of individuals to adapt their gait patterns when locomotor speed and symmetry are altered. Fifteen healthy adults walked on a split-belt treadmill at preferred speed, half of preferred speed, and with one leg at preferred speed and the other at half speed (2:1 ratio asymmetric walking). The asymmetric belt speed condition induced gait asymmetries that required adaptation of locomotor patterns. The slow speed manipulation was chosen in order to determine the impact of gait speed on stride time fractal dynamics. Detrended fluctuation analysis was used to quantify the correlation structure, i.e., fractality, of stride times. Cross-correlation analysis was used to measure the deviation from intended anti-phasing between legs as a measure of gait adaptation. Results revealed no association between unperturbed walking fractal dynamics and gait adaptability performance. However, there was a quadratic relationship between perturbed, asymmetric walking fractal dynamics and adaptive performance during split-belt walking, whereby individuals who exhibited fractal scaling exponents that deviated from 1/f performed the poorest. Compared to steady state preferred walking

Viriato: a Fourier-Hermite spectral code for strongly magnetised fluid-kinetic plasma dynamics

Science.gov (United States)

Loureiro, Nuno; Dorland, William; Fazendeiro, Luis; Kanekar, Anjor; Mallet, Alfred; Zocco, Alessandro

2015-11-01

We report on the algorithms and numerical methods used in Viriato, a novel fluid-kinetic code that solves two distinct sets of equations: (i) the Kinetic Reduced Electron Heating Model equations [Zocco & Schekochihin, 2011] and (ii) the kinetic reduced MHD (KRMHD) equations [Schekochihin et al., 2009]. Two main applications of these equations are magnetised (Alfvnénic) plasma turbulence and magnetic reconnection. Viriato uses operator splitting to separate the dynamics parallel and perpendicular to the ambient magnetic field (assumed strong). Along the magnetic field, Viriato allows for either a second-order accurate MacCormack method or, for higher accuracy, a spectral-like scheme. Perpendicular to the field Viriato is pseudo-spectral, and the time integration is performed by means of an iterative predictor-corrector scheme. In addition, a distinctive feature of Viriato is its spectral representation of the parallel velocity-space dependence, achieved by means of a Hermite representation of the perturbed distribution function. A series of linear and nonlinear benchmarks and tests are presented, with focus on 3D decaying kinetic turbulence. Work partially supported by Fundação para a Ciência e Tecnologia via Grants UID/FIS/50010/2013 and IF/00530/2013.

Dual enzymatic dynamic kinetic resolution by Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase and Candida antarctica lipase B

KAUST Repository

Karume, Ibrahim

2016-10-04

The immobilization of Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase (TeSADH) using sol–gel method enables its use to racemize enantiopure alcohols in organic media. Here, we report the racemization of enantiopure phenyl-ring-containing secondary alcohols using xerogel-immobilized W110A TeSADH in hexane rather than the aqueous medium required by the enzyme. We further showed that this racemization approach in organic solvent was compatible with Candida antarctica lipase B (CALB)-catalyzed kinetic resolution. This compatibility, therefore, allowed a dual enzymatic dynamic kinetic resolution of racemic alcohols using CALB-catalyzed kinetic resolution and W110A TeSADH-catalyzed racemization of phenyl-ring-containing alcohols.

New types of experimental data shape the use of enzyme kinetics for dynamic network modeling.

Science.gov (United States)

Tummler, Katja; Lubitz, Timo; Schelker, Max; Klipp, Edda

2014-01-01

Since the publication of Leonor Michaelis and Maude Menten's paper on the reaction kinetics of the enzyme invertase in 1913, molecular biology has evolved tremendously. New measurement techniques allow in vivo characterization of the whole genome, proteome or transcriptome of cells, whereas the classical enzyme essay only allows determination of the two Michaelis-Menten parameters V and K(m). Nevertheless, Michaelis-Menten kinetics are still commonly used, not only in the in vitro context of enzyme characterization but also as a rate law for enzymatic reactions in larger biochemical reaction networks. In this review, we give an overview of the historical development of kinetic rate laws originating from Michaelis-Menten kinetics over the past 100 years. Furthermore, we briefly summarize the experimental techniques used for the characterization of enzymes, and discuss web resources that systematically store kinetic parameters and related information. Finally, describe the novel opportunities that arise from using these data in dynamic mathematical modeling. In this framework, traditional in vitro approaches may be combined with modern genome-scale measurements to foster thorough understanding of the underlying complex mechanisms. © 2013 FEBS.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

Science.gov (United States)

Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

2018-03-01

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Decarburization

Science.gov (United States)

Rout, Bapin Kumar; Brooks, Geoffrey; Akbar Rhamdhani, M.; Li, Zushu; Schrama, Frank N. H.; Overbosch, Aart

2018-06-01

In a previous study by the authors (Rout et al. in Metall Mater Trans B 49:537-557, 2018), a dynamic model for the BOF, employing the concept of multizone kinetics was developed. In the current study, the kinetics of decarburization reaction is investigated. The jet impact and slag-metal emulsion zones were identified to be primary zones for carbon oxidation. The dynamic parameters in the rate equation of decarburization such as residence time of metal drops in the emulsion, interfacial area evolution, initial size, and the effects of surface-active oxides have been included in the kinetic rate equation of the metal droplet. A modified mass-transfer coefficient based on the ideal Langmuir adsorption equilibrium has been proposed to take into account the surface blockage effects of SiO2 and P2O5 in slag on the decarburization kinetics of a metal droplet in the emulsion. Further, a size distribution function has been included in the rate equation to evaluate the effect of droplet size on reaction kinetics. The mathematical simulation indicates that decarburization of the droplet in the emulsion is a strong function of the initial size and residence time. A modified droplet generation rate proposed previously by the authors has been used to estimate the total decarburization rate by slag-metal emulsion. The model's prediction shows that about 76 pct of total carbon is removed by reactions in the emulsion, and the remaining is removed by reactions at the jet impact zone. The predicted bath carbon by the model has been found to be in good agreement with the industrially measured data.

Molecular theory of mass transfer kinetics and dynamics at gas-water interface

International Nuclear Information System (INIS)

Morita, Akihiro; Garrett, Bruce C

2008-01-01

The mass transfer mechanism across gas-water interface is studied with molecular dynamics (MD) simulation. The MD results provide a robust and qualitatively consistent picture to previous studies about microscopic aspects of mass transfer, including interface structure, free energy profiles for the uptake, scattering dynamics and energy relaxation of impinging molecules. These MD results are quantitatively compared with experimental uptake measurements, and we find that the apparent inconsistency between MD and experiment could be partly resolved by precise decomposition of the observed kinetics into elemental steps. Remaining issues and future perspectives toward constructing a comprehensive multi-scale description of interfacial mass transfer are summarized.

Non-Markovian effects on the dynamics of bubble growth in hot asymmetric nuclear matter

International Nuclear Information System (INIS)

Kolomietz, V.M.; Sanzhur, A.I.; Shlomo, S.

2003-01-01

We study the conditions for the generation and the dynamical evolution of embryonic overcritical vapor bubbles in an overheated asymmetric nuclear matter. We show that the Fermi-surface distortion and memory effects significantly hinder the growth of the bubbles. Moreover, the growth of the bubble is accompanied by characteristic oscillations of its radius R. The characteristic energy E, the damping parameter Γ, and the instability growth rate parameter ζ, depend on the relaxation time τ. The characteristic oscillations disappear in the short relaxation time limit τ→0. Our approach ignores the fluctuations of the particle numbers in the bubble region and the finite diffuse layer of the bubble. The minimum size of the critical radius R * for which our approach applies is determined by the condition a/R * <<1, where a=0.5-1 fm is the temperature-dependent surface thickness of the bubble

Chemical kinetics and reaction dynamics

CERN Document Server

Houston, Paul L

2006-01-01

This text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. It features solutions to selected problems, with separate sections and appendices that cover more technical applications.Each chapter is self-contained and features an introduction that identifies its basic goals, their significance, and a general plan for their achievement. This text's important aims are to demonstrate that the basic kinetic principles are essential to the solution of modern chemical problems, and to show how the underlying qu

Multiscale asymmetric orthogonal wavelet kernel for linear programming support vector learning and nonlinear dynamic systems identification.

Science.gov (United States)

Lu, Zhao; Sun, Jing; Butts, Kenneth

2014-05-01

Support vector regression for approximating nonlinear dynamic systems is more delicate than the approximation of indicator functions in support vector classification, particularly for systems that involve multitudes of time scales in their sampled data. The kernel used for support vector learning determines the class of functions from which a support vector machine can draw its solution, and the choice of kernel significantly influences the performance of a support vector machine. In this paper, to bridge the gap between wavelet multiresolution analysis and kernel learning, the closed-form orthogonal wavelet is exploited to construct new multiscale asymmetric orthogonal wavelet kernels for linear programming support vector learning. The closed-form multiscale orthogonal wavelet kernel provides a systematic framework to implement multiscale kernel learning via dyadic dilations and also enables us to represent complex nonlinear dynamics effectively. To demonstrate the superiority of the proposed multiscale wavelet kernel in identifying complex nonlinear dynamic systems, two case studies are presented that aim at building parallel models on benchmark datasets. The development of parallel models that address the long-term/mid-term prediction issue is more intricate and challenging than the identification of series-parallel models where only one-step ahead prediction is required. Simulation results illustrate the effectiveness of the proposed multiscale kernel learning.

The shear response of copper bicrystals with Σ11 symmetric and asymmetric tilt grain boundaries by molecular dynamics simulation

Science.gov (United States)

Zhang, Liang; Lu, Cheng; Tieu, Kiet; Zhao, Xing; Pei, Linqing

2015-04-01

Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11 tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the boundary plane. A non-planar structure with dissociated intrinsic stacking faults was prevalent in Σ11 asymmetric GBs of Cu. This type of structure can significantly increase the ductility of bicrystal models under shear deformation. A grain boundary can be a source of dislocation and migrate itself at different stress levels. The intrinsic free volume involved in the grain boundary area was correlated with dislocation nucleation and GB sliding, while the dislocation nucleation mechanism can be different for a grain boundary due to its different equilibrium structures.Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11 tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the

Many-body kinetics of dynamic nuclear polarization by the cross effect

Science.gov (United States)

Karabanov, A.; Wiśniewski, D.; Raimondi, F.; Lesanovsky, I.; Köckenberger, W.

2018-03-01

Dynamic nuclear polarization (DNP) is an out-of-equilibrium method for generating nonthermal spin polarization which provides large signal enhancements in modern diagnostic methods based on nuclear magnetic resonance. A particular instance is cross-effect DNP, which involves the interaction of two coupled electrons with the nuclear spin ensemble. Here we develop a theory for this important DNP mechanism and show that the nonequilibrium nuclear polarization buildup is effectively driven by three-body incoherent Markovian dissipative processes involving simultaneous state changes of two electrons and one nucleus. We identify different parameter regimes for effective polarization transfer and discuss under which conditions the polarization dynamics can be simulated by classical kinetic Monte Carlo methods. Our theoretical approach allows simulations of the polarization dynamics on an individual spin level for ensembles consisting of hundreds of nuclear spins. The insight obtained by these simulations can be used to find optimal experimental conditions for cross-effect DNP and to design tailored radical systems that provide optimal DNP efficiency.

A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates

Energy Technology Data Exchange (ETDEWEB)

Colvin, J D; Minich, R W; Kalantar, D H

2007-03-29

The recent diagnostic capability of the Omega laser to study solid-solid phase transitions at pressures greater than 10 GPa and at strain rates exceeding 10{sup 7} s{sup -1} has also provided valuable information on the dynamic elastic-plastic behavior of materials. We have found, for example, that plasticity kinetics modifies the effective loading and thermodynamic paths of the material. In this paper we derive a kinetics equation for the time-dependent plastic response of the material to dynamic loading, and describe the model's implementation in a radiation-hydrodynamics computer code. This model for plasticity kinetics incorporates the Gilman model for dislocation multiplication and saturation. We discuss the application of this model to the simulation of experimental velocity interferometry data for experiments on Omega in which Fe was shock compressed to pressures beyond the {alpha}-to-{var_epsilon} phase transition pressure. The kinetics model is shown to fit the data reasonably well in this high strain rate regime and further allows quantification of the relative contributions of dislocation multiplication and drag. The sensitivity of the observed signatures to the kinetics model parameters is presented.

Propulsion of a Molecular Machine by Asymmetric Distribution of Reaction Products

Science.gov (United States)

Golestanian, Ramin; Liverpool, Tanniemola B.; Ajdari, Armand

2005-06-01

A simple model for the reaction-driven propulsion of a small device is proposed as a model for (part of) a molecular machine in aqueous media. The motion of the device is driven by an asymmetric distribution of reaction products. The propulsive velocity of the device is calculated as well as the scale of the velocity fluctuations. The effects of hydrodynamic flow as well as a number of different scenarios for the kinetics of the reaction are addressed.

Asymmetric interpersonal coupling in a cyclic sports-related movement task

NARCIS (Netherlands)

Meerhoff, Rens; De Poel, Harjo J.

In interactive sports, teammates and/or opponents mutually tune their behavior. Expert performance thus implies certain interactive abilities, which critically depend on perceptual coupling. To illustrate this assertion, we examined the coordination dynamics with asymmetric interaction of dyads

Option Pricing with Asymmetric Heteroskedastic Normal Mixture Models

DEFF Research Database (Denmark)

Rombouts, Jeroen V. K; Stentoft, Lars

2015-01-01

We propose an asymmetric GARCH in mean mixture model and provide a feasible method for option pricing within this general framework by deriving the appropriate risk neutral dynamics. We forecast the out-of-sample prices of a large sample of options on the S&P 500 index from January 2006 to December...

Baseline Testing of the Club Car Carryall With Asymmetric Ultracapacitors

Science.gov (United States)

Eichenberg, Dennis J.

2003-01-01

The NASA John H. Glenn Research Center initiated baseline testing of the Club Car Carryall with asymmetric ultracapacitors as a way to reduce pollution in industrial settings, reduce fossil fuel consumption, and reduce operating costs for transportation systems. The Club Car Carryall provides an inexpensive approach to advance the state of the art in electric vehicle technology in a practical application. The project transfers space technology to terrestrial use via non-traditional partners, and provides power system data valuable for future space applications. The work was done under the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB). The Carryall is a state of the art, ground up, electric utility vehicle. A unique aspect of the project was the use of a state of the art, long life ultracapacitor energy storage system. Innovative features, such as regenerative braking through ultracapacitor energy storage, are planned. Regenerative braking recovers much of the kinetic energy of the vehicle during deceleration. The Carryall was tested with the standard lead acid battery energy storage system, as well as with an asymmetric ultracapacitor energy storage system. The report concludes that the Carryall provides excellent performance, and that the implementation of asymmetric ultracapacitors in the power system can provide significant performance improvements.

Defining Nitrogen Kinetics for Air Break in Prebreath

Science.gov (United States)

Conkin, Johnny

2010-01-01

Actual tissue nitrogen (N2) kinetics are complex; the uptake and elimination is often approximated with a single half-time compartment in statistical descriptions of denitrogenation [prebreathe(PB)] protocols. Air breaks during PB complicate N2 kinetics. A comparison of symmetrical versus asymmetrical N2 kinetics was performed using the time to onset of hypobaric decompression sickness (DCS) as a surrogate for actual venous N2 tension. METHODS: Published results of 12 tests involving 179 hypobaric exposures in altitude chambers after PB, with and without airbreaks, provide the complex protocols from which to model N2 kinetics. DCS survival time for combined control and airbreaks were described with an accelerated log logistic model where N2 uptake and elimination before, during, and after the airbreak was computed with a simple exponential function or a function that changed half-time depending on ambient N2 partial pressure. P1N2-P2 = (Delta)P defined decompression dose for each altitude exposure, where P2 was the test altitude and P1N2 was computed N2 pressure at the beginning of the altitude exposure. RESULTS: The log likelihood (LL) without decompression dose (null model) was -155.6, and improved (best-fit) to -97.2 when dose was defined with a 240 min half-time for both N2 elimination and uptake during the PB. The description of DCS survival time was less precise with asymmetrical N2 kinetics, for example, LL was -98.9 with 240 min half-time elimination and 120 min half-time uptake. CONCLUSION: The statistical regression described survival time mechanistically linked to symmetrical N2 kinetics during PBs that also included airbreaks. The results are data-specific, and additional data may change the conclusion. The regression is useful to compute additional PB time to compensate for an airbreak in PB within the narrow range of tested conditions.

Defining Nitrogen Kinetics for Air Break in Prebreathe

Science.gov (United States)

Conkin, Johnny

2009-01-01

Actual tissue nitrogen (N2) kinetics are complex; the uptake and elimination is often approximated with a single half-time compartment in statistical descriptions of denitrogenation [prebreathe (PB)] protocols. Air breaks during PB complicate N2 kinetics. A comparison of symmetrical versus asymmetrical N2 kinetics was performed using the time to onset of hypobaric decompression sickness (DCS) as a surrogate for actual venous N2 tension. Published results of 12 tests involving 179 hypobaric exposures in altitude chambers after PB, with and without air breaks, provide the complex protocols from which to model N2 kinetics. DCS survival time for combined control and air breaks were described with an accelerated log logistic model where N2 uptake and elimination before, during, and after the air break was computed with a simple exponential function or a function that changed half-time depending on ambient N2 partial pressure. P1N2-P2 = delta P defined DCS dose for each altitude exposure, where P2 was the test altitude and P1N2 was computed N2 pressure at the beginning of the altitude exposure. The log likelihood (LL) without DCS dose (null model) was -155.6, and improved (best-fit) to -97.2 when dose was defined with a 240 min half-time for both N2 elimination and uptake during the PB. The description of DCS survival time was less precise with asymmetrical N2 kinetics, for example, LL was -98.9 with 240 min half-time elimination and 120 min half-time uptake. The statistical regression described survival time mechanistically linked to symmetrical N2 kinetics during PBs that also included air breaks. The results are data-specific, and additional data may change the conclusion. The regression is useful to compute additional PB time to compensate for an air break in PB within the narrow range of tested conditions.

Iridium-Catalyzed Dynamic Kinetic Isomerization: Expedient Synthesis of Carbohydrates from Achmatowicz Rearrangement Products.

Science.gov (United States)

Wang, Hao-Yuan; Yang, Ka; Bennett, Scott R; Guo, Sheng-rong; Tang, Weiping

2015-07-20

A highly stereoselective dynamic kinetic isomerization of Achmatowicz rearrangement products was discovered. This new internal redox isomerization provided ready access to key intermediates for the enantio- and diastereoselective synthesis of a series of naturally occurring sugars. The nature of the de novo synthesis also enables the preparation of both enantiomers. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.

Science.gov (United States)

Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong

2017-04-19

Delavatine A (1) is a structurally unusual isoquinoline alkaloid isolated from Incarvillea delavayi. The first and gram-scale total synthesis of 1 was accomplished in 13 steps (the longest linear sequence) from commercially available starting materials. We exploited an isoquinoline construction strategy and developed two reactions, namely Rh-catalyzed asymmetric hydrogenation of indene-type tetrasubstituted olefins and kinetic resolution of β-alkyl phenylethylamine derivatives through Pd-catalyzed triflamide-directed C-H olefination. The substrate scope of the first reaction covered unfunctionalized olefins and those containing polar functionalities such as sulfonamides. The kinetic resolution provided a collection of enantioenriched indane- and tetralin-based triflamides, including those bearing quaternary chiral centers. The selectivity factor (s) exceeded 100 for a number of substrates. These reactions enabled two different yet related approaches to a key intermediate 28 in excellent enantiopurity. In the synthesis, the triflamide served as not only an effective directing group for C-H bond activation but also a versatile functional group for further elaborations. The relative and absolute configurations of delavatine A were unambiguously assigned by the syntheses of the natural product and its three stereoisomers. Their cytotoxicity against a series of cancer cell lines was evaluated.

Holding-time-aware asymmetric spectrum allocation in virtual optical networks

Science.gov (United States)

Lyu, Chunjian; Li, Hui; Liu, Yuze; Ji, Yuefeng

2017-10-01

Virtual optical networks (VONs) have been considered as a promising solution to support current high-capacity dynamic traffic and achieve rapid applications deployment. Since most of the network services (e.g., high-definition video service, cloud computing, distributed storage) in VONs are provisioned by dedicated data centers, needing different amount of bandwidth resources in both directions, the network traffic is mostly asymmetric. The common strategy, symmetric provisioning of traffic in optical networks, leads to a waste of spectrum resources in such traffic patterns. In this paper, we design a holding-time-aware asymmetric spectrum allocation module based on SDON architecture and an asymmetric spectrum allocation algorithm based on the module is proposed. For the purpose of reducing spectrum resources' waste, the algorithm attempts to reallocate the idle unidirectional spectrum slots in VONs, which are generated due to the asymmetry of services' bidirectional bandwidth. This part of resources can be exploited by other requests, such as short-time non-VON requests. We also introduce a two-dimensional asymmetric resource model for maintaining idle spectrum resources information of VON in spectrum and time domains. Moreover, a simulation is designed to evaluate the performance of the proposed algorithm, and results show that our proposed asymmetric spectrum allocation algorithm can improve the resource waste and reduce blocking probability.

Impacts of complex behavioral responses on asymmetric interacting spreading dynamics in multiplex networks.

Science.gov (United States)

Liu, Quan-Hui; Wang, Wei; Tang, Ming; Zhang, Hai-Feng

2016-05-09

Information diffusion and disease spreading in communication-contact layered network are typically asymmetrically coupled with each other, in which disease spreading can be significantly affected by the way an individual being aware of disease responds to the disease. Many recent studies have demonstrated that human behavioral adoption is a complex and non-Markovian process, where the probability of behavior adoption is dependent on the cumulative times of information received and the social reinforcement effect of the cumulative information. In this paper, the impacts of such a non-Markovian vaccination adoption behavior on the epidemic dynamics and the control effects are explored. It is found that this complex adoption behavior in the communication layer can significantly enhance the epidemic threshold and reduce the final infection rate. By defining the social cost as the total cost of vaccination and treatment, it can be seen that there exists an optimal social reinforcement effect and optimal information transmission rate allowing the minimal social cost. Moreover, a mean-field theory is developed to verify the correctness of simulation results.

Kinetic modeling of particle dynamics in H− negative ion sources (invited)

International Nuclear Information System (INIS)

Hatayama, A.; Shibata, T.; Nishioka, S.; Ohta, M.; Yasumoto, M.; Nishida, K.; Yamamoto, T.; Miyamoto, K.; Fukano, A.; Mizuno, T.

2014-01-01

Progress in the kinetic modeling of particle dynamics in H − negative ion source plasmas and their comparisons with experiments are reviewed, and discussed with some new results. Main focus is placed on the following two topics, which are important for the research and development of large negative ion sources and high power H − ion beams: (i) Effects of non-equilibrium features of EEDF (electron energy distribution function) on H − production, and (ii) extraction physics of H − ions and beam optics

A nondissipative simulation method for the drift kinetic equation

International Nuclear Information System (INIS)

Watanabe, Tomo-Hiko; Sugama, Hideo; Sato, Tetsuya

2001-07-01

With the aim to study the ion temperature gradient (ITG) driven turbulence, a nondissipative kinetic simulation scheme is developed and comprehensively benchmarked. The new simulation method preserving the time-reversibility of basic kinetic equations can successfully reproduce the analytical solutions of asymmetric three-mode ITG equations which are extended to provide a more general reference for benchmarking than the previous work [T.-H. Watanabe, H. Sugama, and T. Sato: Phys. Plasmas 7 (2000) 984]. It is also applied to a dissipative three-mode system, and shows a good agreement with the analytical solution. The nondissipative simulation result of the ITG turbulence accurately satisfies the entropy balance equation. Usefulness of the nondissipative method for the drift kinetic simulations is confirmed in comparisons with other dissipative schemes. (author)

Role of conformational dynamics in kinetics of an enzymatic cycle in a nonequilibrium steady state

Science.gov (United States)

Min, Wei; Xie, X. Sunney; Bagchi, Biman

2009-08-01

Enzyme is a dynamic entity with diverse time scales, ranging from picoseconds to seconds or even longer. Here we develop a rate theory for enzyme catalysis that includes conformational dynamics as cycling on a two-dimensional (2D) reaction free energy surface involving an intrinsic reaction coordinate (X) and an enzyme conformational coordinate (Q). The validity of Michaelis-Menten (MM) equation, i.e., substrate concentration dependence of enzymatic velocity, is examined under a nonequilibrium steady state. Under certain conditions, the classic MM equation holds but with generalized microscopic interpretations of kinetic parameters. However, under other conditions, our rate theory predicts either positive (sigmoidal-like) or negative (biphasic-like) kinetic cooperativity due to the modified effective 2D reaction pathway on X-Q surface, which can explain non-MM dependence previously observed on many monomeric enzymes that involve slow or hysteretic conformational transitions. Furthermore, we find that a slow conformational relaxation during product release could retain the enzyme in a favorable configuration, such that enzymatic turnover is dynamically accelerated at high substrate concentrations. The effect of such conformation retainment in a nonequilibrium steady state is evaluated.

Continuous control of asymmetric forebody vortices in a bi-stable state

Science.gov (United States)

Wang, Qi-te; Cheng, Ke-ming; Gu, Yun-song; Li, Zhuo-qi

2018-02-01

Aiming at the problem of continuous control of asymmetric forebody vortices at a high angle of attack in a bi-stable regime, a dual synthetic jet actuator embedded in an ogive forebody was designed. Alternating unsteady disturbance with varying degree asymmetrical flow fields near the nozzles is generated by adjusting the duty cycle of the drive signal of the actuator, specifically embodying the asymmetric time-averaged pattern of jet velocity, vorticity, and turbulent kinetic energy. Experimental results show that within the range of relatively high angles of attack, including the angle-of-attack region in a bi-stable state, the lateral force of the ogive forebody is continuously controlled by adjusting the duty cycle of the drive signal; the position of the forebody vortices in space, the vorticity magnitude, the total pressure coefficient near the vortex core, and the vortex breakdown location are continuously changed with the duty cycle increased observed from the time-averaged flow field. Instantaneous flow field results indicate that although the forebody vortices are in an unsteady oscillation state, a continuous change in the forebody vortices' oscillation balance position as the duty cycle increases leads to a continuous change in the model's surface pressure distribution and time-averaged lateral force. Different from the traditional control principle, in this study, other different degree asymmetrical states of the forebody vortices except the bi-stable state are obtained using the dual synthetic jet control technology.

Fault Current Characteristics of the DFIG under Asymmetrical Fault Conditions

Directory of Open Access Journals (Sweden)

Fan Xiao

2015-09-01

Full Text Available During non-severe fault conditions, crowbar protection is not activated and the rotor windings of a doubly-fed induction generator (DFIG are excited by the AC/DC/AC converter. Meanwhile, under asymmetrical fault conditions, the electrical variables oscillate at twice the grid frequency in synchronous dq frame. In the engineering practice, notch filters are usually used to extract the positive and negative sequence components. In these cases, the dynamic response of a rotor-side converter (RSC and the notch filters have a large influence on the fault current characteristics of the DFIG. In this paper, the influence of the notch filters on the proportional integral (PI parameters is discussed and the simplified calculation models of the rotor current are established. Then, the dynamic performance of the stator flux linkage under asymmetrical fault conditions is also analyzed. Based on this, the fault characteristics of the stator current under asymmetrical fault conditions are studied and the corresponding analytical expressions of the stator fault current are obtained. Finally, digital simulation results validate the analytical results. The research results are helpful to meet the requirements of a practical short-circuit calculation and the construction of a relaying protection system for the power grid with penetration of DFIGs.

Multicharged Ion-induced simple molecule fragmentation dynamics

International Nuclear Information System (INIS)

Tarisien, M.

2003-10-01

The aim of this work is to study the dynamics of swift multicharged ion-induced fragmentation of diatomic (CO) and triatomic (CO 2 ) molecules. Performed at the GANIL facility, this study used the Recoil Ion Momentum Spectroscopy technique (RIMS), which consists of a time-of-flight mass spectrometer, coupled with a multi-hit capability position sensitive detector (delay line anode). The high-resolution measurement of the kinetic energy distribution released (KER) during the CO fragmentation points out the limitation of the Coulomb Explosion Model, revealing, for example, the di-cation CO 2 + electronic state contribution in the case of C + /O + fragmentation pathway. Furthermore, the multi-ionization cross section dependence with the orientation of the internuclear axis of CO is compared with a geometrical model calculation. Finally, different behaviours are observed for the dissociation dynamics of a triatomic molecule (CO 2 ). While triple ionization leads mainly to a synchronous concerted fragmentation dynamics, a weak fraction of dissociating molecule follows a sequential dynamics involving CO 2 + metastable states. In the case of double ionization, (CO 2 ) 2+ di-cation dissociation dynamics is asynchronously concerted and has been interpreted using a simple model involving an asymmetrical vibration of the molecule. (author)

Asymmetric block copolymers confined in a thin film

NARCIS (Netherlands)

Huinink, HP; Brokken-Zijp, JCM; van Dijk, MA; Sevink, GJA

2000-01-01

We have used a dynamic density functional theory (DDFT) for polymeric systems, to simulate the formation of micro phases in a melt of an asymmetric block copolymer, A(n)B(m)(f(A) = 1/3), both in the bulk and in a thin film. In the DDFT model a polymer is represented as a chain of springs and beads.

Asymmetric driven dynamics of Dzyaloshinskii domain walls in ultrathin ferromagnetic strips with perpendicular magnetic anisotropy

Energy Technology Data Exchange (ETDEWEB)

Sánchez-Tejerina, L. [Dpto. Electricidad y Electrónica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid (Spain); Alejos, Ó., E-mail: oscaral@ee.uva.es [Dpto. Electricidad y Electrónica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid (Spain); Martínez, E. [Dpto. Física Aplicada, Facultad de Ciencias, Universidad de Salamanca, 37011 Salamanca (Spain); Muñoz, J.M. [Dpto. Electricidad y Electrónica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid (Spain)

2016-07-01

The dynamics of domain walls in ultrathin ferromagnetic strips with perpendicular magnetic anisotropy is studied from both numerical and analytical micromagnetics. The influence of a moderate interfacial Dzyaloshinskii–Moriya interaction associated to a bi-layer strip arrangement has been considered, giving rise to the formation of Dzyaloshinskii domain walls. Such walls possess under equilibrium conditions an inner magnetization structure defined by a certain orientation angle that make them to be considered as intermediate configurations between Bloch and Néel walls. Two different dynamics are considered, a field-driven and a current-driven dynamics, in particular, the one promoted by the spin torque due to the spin-Hall effect. Results show an inherent asymmetry associated with the rotation of the domain wall magnetization orientation before reaching the stationary regime, characterized by a constant terminal speed. For a certain initial DW magnetization orientation at rest, the rotation determines whether the reorientation of the DW magnetization prior to reach stationary motion is smooth or abrupt. This asymmetry affects the DW motion, which can even reverse for a short period of time. Additionally, it is found that the terminal speed in the case of the current-driven dynamics may depend on either the initial DW magnetization orientation at rest or the sign of the longitudinally injected current. - Highlights: • The asymmetric response of domain walls in bilayer strips with PMA is studied. • Out-of-plane fields and SHE longitudinal currents are applied. • The response is associated to the rotation of the domain wall inner magnetization. • Clockwise and counter-clockwise magnetization rotations are not equivalent. • The asymmetry results in different travelled distances and/or terminal speeds.

Asymmetric driven dynamics of Dzyaloshinskii domain walls in ultrathin ferromagnetic strips with perpendicular magnetic anisotropy

International Nuclear Information System (INIS)

Sánchez-Tejerina, L.; Alejos, Ó.; Martínez, E.; Muñoz, J.M.

2016-01-01

The dynamics of domain walls in ultrathin ferromagnetic strips with perpendicular magnetic anisotropy is studied from both numerical and analytical micromagnetics. The influence of a moderate interfacial Dzyaloshinskii–Moriya interaction associated to a bi-layer strip arrangement has been considered, giving rise to the formation of Dzyaloshinskii domain walls. Such walls possess under equilibrium conditions an inner magnetization structure defined by a certain orientation angle that make them to be considered as intermediate configurations between Bloch and Néel walls. Two different dynamics are considered, a field-driven and a current-driven dynamics, in particular, the one promoted by the spin torque due to the spin-Hall effect. Results show an inherent asymmetry associated with the rotation of the domain wall magnetization orientation before reaching the stationary regime, characterized by a constant terminal speed. For a certain initial DW magnetization orientation at rest, the rotation determines whether the reorientation of the DW magnetization prior to reach stationary motion is smooth or abrupt. This asymmetry affects the DW motion, which can even reverse for a short period of time. Additionally, it is found that the terminal speed in the case of the current-driven dynamics may depend on either the initial DW magnetization orientation at rest or the sign of the longitudinally injected current. - Highlights: • The asymmetric response of domain walls in bilayer strips with PMA is studied. • Out-of-plane fields and SHE longitudinal currents are applied. • The response is associated to the rotation of the domain wall inner magnetization. • Clockwise and counter-clockwise magnetization rotations are not equivalent. • The asymmetry results in different travelled distances and/or terminal speeds.

Kinetic and structural fragility—a correlation between structures and dynamics in metallic liquids and glasses

International Nuclear Information System (INIS)

Kelton, K F

2017-01-01

The liquid phase remains poorly understood. In many cases, the densities of liquids and their crystallized solid phases are similar, but since they are amorphous they lack the spatial order of the solid. Their dynamical properties change remarkably over a very small temperature range. At high temperatures, near their melting temperature, liquids flow easily under shear. However, only a few hundred degrees lower flow effectively ceases, as the liquid transforms into a solid-like glass. This temperature-dependent dynamical behavior is frequently characterized by the concept of kinetic fragility (or, generally, simply fragility). Fragility is believed to be an important quantity in glass formation, making it of significant practical interest. The microscopic origin of fragility remains unclear, however, making it also of fundamental interest. It is widely (although not uniformly) believed that the dynamical behavior is linked to the atomic structure of the liquid, yet experimental studies show that although the viscosity changes by orders of magnitude with temperature, the structural change is barely perceptible. In this article the concept of fragility is discussed, building to a discussion of recent results in metallic glass-forming liquids that demonstrate the presumed connection between structural and dynamical changes. In particular, it becomes possible to define a structural fragility parameter that can be linked with the kinetic fragility. (topical review)

COMPUTER SIMULATION OF LOCAL MOBILITY IN DENDRIMERS WITH ASYMMETRIC BRANCHING BY BROWNIAN DYNAMICS METHOD

Directory of Open Access Journals (Sweden)

O. V. Shavykin

2016-09-01

Full Text Available The Brownian dynamics method has been used to study the effect of the branching asymmetry on the local orientational mobility of segments and bonds in dendrimers in good solvent. “Coarse-grained” models of flexible dendrimers with different branching symmetry but with the same average segment length were considered. The frequency dependences of the rate of the spin-lattice relaxation nuclear magnetic resonance (NMR [1/T1H(H] for segments or bonds located at different distances from terminal monomers were calculated. After the exclusion of the contribution of the overall dendrimer rotation the position of the maxima of the frequency dependences [1/T1H(ωH] for different segments with the same length doesn’t depend on their location inside a dendrimer both for phantom models and for models with excluded volume interactions. This effect doesn’t depend also on the branching symmetry, but the position of the maximum [1/T1H(ωH] is determined by the segment length. For bonds inside segments the positions of the maximum [1/T1H(ωH] coincide for all models considered. Therefore, the obtained earlier conclusion about the weak influence of the excluded volume interactions on the local dynamics in the flexible symmetric dendrimers can be generalized for dendrimers with an asymmetric branching.

Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

Science.gov (United States)

Mollica, Luca; Theret, Isabelle; Antoine, Mathias; Perron-Sierra, Françoise; Charton, Yves; Fourquez, Jean-Marie; Wierzbicki, Michel; Boutin, Jean A; Ferry, Gilles; Decherchi, Sergio; Bottegoni, Giovanni; Ducrot, Pierre; Cavalli, Andrea

2016-08-11

Ligand-target residence time is emerging as a key drug discovery parameter because it can reliably predict drug efficacy in vivo. Experimental approaches to binding and unbinding kinetics are nowadays available, but we still lack reliable computational tools for predicting kinetics and residence time. Most attempts have been based on brute-force molecular dynamics (MD) simulations, which are CPU-demanding and not yet particularly accurate. We recently reported a new scaled-MD-based protocol, which showed potential for residence time prediction in drug discovery. Here, we further challenged our procedure's predictive ability by applying our methodology to a series of glucokinase activators that could be useful for treating type 2 diabetes mellitus. We combined scaled MD with experimental kinetics measurements and X-ray crystallography, promptly checking the protocol's reliability by directly comparing computational predictions and experimental measures. The good agreement highlights the potential of our scaled-MD-based approach as an innovative method for computationally estimating and predicting drug residence times.

Chemo-enzymatic Baeyer-Villiger oxidation of 4-methylcyclohexanone via kinetic resolution of racemic carboxylic acids: direct access to enantioenriched lactone.

Science.gov (United States)

Drożdż, Agnieszka; Chrobok, Anna

2016-01-21

A new method for the asymmetric chemo-enzymatic Baeyer-Villiger oxidation of prochiral 4-methylcyclohexanone to (R)-4-methylcaprolactone in the presence of (±)-4-methyloctanoic acid, Candida Antarctica lipase B and 30% aq. H2O2 has been developed. A mechanism for the asymmetric induction based on kinetic resolution of racemic carboxylic acids is proposed.

Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations

International Nuclear Information System (INIS)

Monk, J; Mendelev, M I; Yang, Y; Asta, M; Hoyt, J J; Sun, D Y

2010-01-01

The generation and dissipation of latent heat at the moving solid–liquid boundary during non-equilibrium molecular dynamics (MD) simulations of crystallization can lead to significant underestimations of the interface mobility. In this work we examine the heat flow problem in detail for an embedded atom description of pure Ni and offer strategies to obtain an accurate value of the kinetic coefficient, μ. For free-solidification simulations in which the entire system is thermostated using a Nose–Hoover or velocity rescaling algorithm a non-uniform temperature profile is observed and a peak in the temperature is found at the interface position. It is shown that if the actual interface temperature, rather than the thermostat set point temperature, is used to compute the kinetic coefficient then μ is approximately a factor of 2 larger than previous estimates. In addition, we introduce a layered thermostat method in which several sub-regions, aligned normal to the crystallization direction, are indepently thermostated to a desired undercooling. We show that as the number of thermostats increases (i.e., as the width of each independently thermostated layer decreases) the kinetic coefficient converges to a value consistent with that obtained using a single thermostat and the calculated interface temperature. Also, the kinetic coefficient was determined from an analysis of the equilibrium fluctuations of the solid–liquid interface position. We demonstrate that the kinetic coefficient obtained from the relaxation times of the fluctuation spectrum is equivalent to the two values obtained from free-solidification simulations provided a simple correction is made for the contribution of heat flow controlled interface motion. Finally, a one-dimensional phase field model that captures the effect of thermostats has been developed. The mesoscale model reproduces qualitatively the results from MD simulations and thus allows for an a priori estimate of the accuracy of a

Asymmetric Flow Field Flow Fractionation of Aqueous C60 Nanoparticles with Size Determination by Dynamic Light Scattering and Quantification by Liquid Chromatography Atmospheric Pressure Photo-Ionization Mass Spectrometry

Science.gov (United States)

A size separation method was developed for aqueous C60 fullerene aggregates (aqu/C60) using asymmetric flow field flow fractionation (AF4) coupled to a dynamic light scattering detector in flow through mode. Surfactants, which are commonly used in AF4, were avoided as they may al...

Critical Analysis of Underground Coal Gasification Models. Part II: Kinetic and Computational Fluid Dynamics Models

Directory of Open Access Journals (Sweden)

Alina Żogała

2014-01-01

Originality/value: This paper presents state of art in the field of coal gasification modeling using kinetic and computational fluid dynamics approach. The paper also presents own comparative analysis (concerned with mathematical formulation, input data and parameters, basic assumptions, obtained results etc. of the most important models of underground coal gasification.

Validation of the reactor dynamics code HEXTRAN

International Nuclear Information System (INIS)

Kyrki-Rajamaeki, R.

1994-05-01

HEXTRAN is a new three-dimensional, hexagonal reactor dynamics code developed in the Technical Research Centre of Finland (VTT) for VVER type reactors. This report describes the validation work of HEXTRAN. The work has been made with the financing of the Finnish Centre for Radiation and Nuclear Safety (STUK). HEXTRAN is particularly intended for calculation of such accidents, in which radially asymmetric phenomena are included and both good neutron dynamics and two-phase thermal hydraulics are important. HEXTRAN is based on already validated codes. The models of these codes have been shown to function correctly also within the HEXTRAN code. The main new model of HEXTRAN, the spatial neutron kinetics model has been successfully validated against LR-0 test reactor and Loviisa plant measurements. Connected with SMABRE, HEXTRAN can be reliably used for calculation of transients including effects of the whole cooling system of VVERs. Further validation plans are also introduced in the report. (orig.). (23 refs., 16 figs., 2 tabs.)

Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics - Revisiting Perturbative Hybrid Kinetic-MHD Theory.

Science.gov (United States)

Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

2016-05-10

It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.

A numerical strategy for finite element modeling of frictionless asymmetric vocal fold collision.

Science.gov (United States)

Granados, Alba; Misztal, Marek Krzysztof; Brunskog, Jonas; Visseq, Vincent; Erleben, Kenny

2017-02-01

Analysis of voice pathologies may require vocal fold models that include relevant features such as vocal fold asymmetric collision. The present study numerically addresses the problem of frictionless asymmetric collision in a self-sustained three-dimensional continuum model of the vocal folds. Theoretical background and numerical analysis of the finite-element position-based contact model are presented, along with validation. A novel contact detection mechanism capable to detect collision in asymmetric oscillations is developed. The effect of inexact contact constraint enforcement on vocal fold dynamics is examined by different variational methods for inequality constrained minimization problems, namely, the Lagrange multiplier method and the penalty method. In contrast to the penalty solution, which is related to classical spring-like contact forces, numerical examples show that the parameter-independent Lagrange multiplier solution is more robust and accurate in the estimation of dynamical and mechanical features at vocal fold contact. Furthermore, special attention is paid to the temporal integration schemes in relation to the contact problem, the results suggesting an advantage of highly diffusive schemes. Finally, vocal fold contact enforcement is shown to affect asymmetric oscillations. The present model may be adapted to existing vocal fold models, which may contribute to a better understanding of the effect of the nonlinear contact phenomenon on phonation. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Joint reconstruction of dynamic PET activity and kinetic parametric images using total variation constrained dictionary sparse coding

Science.gov (United States)

Yu, Haiqing; Chen, Shuhang; Chen, Yunmei; Liu, Huafeng

2017-05-01

Dynamic positron emission tomography (PET) is capable of providing both spatial and temporal information of radio tracers in vivo. In this paper, we present a novel joint estimation framework to reconstruct temporal sequences of dynamic PET images and the coefficients characterizing the system impulse response function, from which the associated parametric images of the system macro parameters for tracer kinetics can be estimated. The proposed algorithm, which combines statistical data measurement and tracer kinetic models, integrates a dictionary sparse coding (DSC) into a total variational minimization based algorithm for simultaneous reconstruction of the activity distribution and parametric map from measured emission sinograms. DSC, based on the compartmental theory, provides biologically meaningful regularization, and total variation regularization is incorporated to provide edge-preserving guidance. We rely on techniques from minimization algorithms (the alternating direction method of multipliers) to first generate the estimated activity distributions with sub-optimal kinetic parameter estimates, and then recover the parametric maps given these activity estimates. These coupled iterative steps are repeated as necessary until convergence. Experiments with synthetic, Monte Carlo generated data, and real patient data have been conducted, and the results are very promising.

Impact of asymmetric lamp positioning on the performance of a closed-conduit UV reactor

Directory of Open Access Journals (Sweden)

Tipu Sultan

2017-06-01

Full Text Available Computational fluid dynamics (CFD analyses for the performance improvement of a closed-conduit ultraviolet (UV reactor were performed by changing the lamp positions from symmetric to asymmetric. The asymmetric lamp positioning can be useful for UV reactor design and optimization. This goal was achieved by incorporating the two performance factors, namely reduction equivalent dose (RED and system dose performance. Four cases were carried out for asymmetric lamp positioning within the UV reactor chamber and each case consisted of four UV lamps that were simulated once symmetrically and four times asymmetrically. The results of the four asymmetric cases were compared with the symmetric one. Moreover, these results were evaluated by using CFD simulations of a closed-conduit UV reactor. The fluence rate model, UVCalc3D was employed to validate the simulations results. The simulation results provide detailed information about the dose distribution, pathogen track modeling and RED. The RED value was increased by approximately 15% by using UVCalc3D fluence rate model. Additionally, the asymmetric lamp positioning of the UV lamps had more than 50% of the pathogens received a better and a higher UV dose than in the symmetric case. Consequently, the system dose performance was improved by asymmetric lamp positioning. It was concluded that the performance parameters (higher RED and system dose performance were improved by using asymmetric lamp positioning.

Investigation of Coal-biomass Catalytic Gasification using Experiments, Reaction Kinetics and Computational Fluid Dynamics

Energy Technology Data Exchange (ETDEWEB)

Battaglia, Francine [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Agblevor, Foster [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Klein, Michael [Univ. of Delaware, Newark, DE (United States); Sheikhi, Reza [Northeastern Univ., Boston, MA (United States)

2015-12-31

A collaborative effort involving experiments, kinetic modeling, and computational fluid dynamics (CFD) was used to understand co-gasification of coal-biomass mixtures. The overall goal of the work was to determine the key reactive properties for coal-biomass mixed fuels. Sub-bituminous coal was mixed with biomass feedstocks to determine the fluidization and gasification characteristics of hybrid poplar wood, switchgrass and corn stover. It was found that corn stover and poplar wood were the best feedstocks to use with coal. The novel approach of this project was the use of a red mud catalyst to improve gasification and lower gasification temperatures. An important results was the reduction of agglomeration of the biomass using the catalyst. An outcome of this work was the characterization of the chemical kinetics and reaction mechanisms of the co-gasification fuels, and the development of a set of models that can be integrated into other modeling environments. The multiphase flow code, MFIX, was used to simulate and predict the hydrodynamics and co-gasification, and results were validated with the experiments. The reaction kinetics modeling was used to develop a smaller set of reactions for tractable CFD calculations that represented the experiments. Finally, an efficient tool was developed, MCHARS, and coupled with MFIX to efficiently simulate the complex reaction kinetics.

Modeling bubble dynamics and radical kinetics in ultrasound induced microalgal cell disruption.

Science.gov (United States)

Wang, Meng; Yuan, Wenqiao

2016-01-01

Microalgal cell disruption induced by acoustic cavitation was simulated through solving the bubble dynamics in an acoustical field and their radial kinetics (chemical kinetics of radical species) occurring in the bubble during its oscillation, as well as calculating the bubble wall pressure at the collapse point. Modeling results indicated that increasing ultrasonic intensity led to a substantial increase in the number of bubbles formed during acoustic cavitation, however, the pressure generated when the bubbles collapsed decreased. Therefore, cumulative collapse pressure (CCP) of bubbles was used to quantify acoustic disruption of a freshwater alga, Scenedesmus dimorphus, and a marine alga, Nannochloropsis oculata and compare with experimental results. The strong correlations between CCP and the intracellular lipid fluorescence density, chlorophyll-a fluorescence density, and cell particle/debris concentration were found, which suggests that the developed models could accurately predict acoustic cell disruption, and can be utilized in the scale up and optimization of the process. Copyright © 2015 Elsevier B.V. All rights reserved.

Kinetic and dynamic kinetic resolution of secondary alcohols with ionic-surfactant-coated Burkholderia cepacia lipase: substrate scope and enantioselectivity.

Science.gov (United States)

Kim, Cheolwoo; Lee, Jusuk; Cho, Jeonghun; Oh, Yeonock; Choi, Yoon Kyung; Choi, Eunjeong; Park, Jaiwook; Kim, Mahn-Joo

2013-03-15

Forty-four different secondary alcohols, which can be classified into several types (II-IX), were tested as the substrates of ionic surfactant-coated Burkholderia cepacia lipase (ISCBCL) to see its substrate scope and enantioselectivity in kinetic and dynamic kinetic resolution (KR and DKR). They include 6 boron-containing alcohols, 24 chiral propargyl alcohols, and 14 diarylmethanols. The results from the studies on KR indicate that ISCBCL accepted most of them with high enantioselectivity at ambient temperature and with useful to high enantioselectivity at elevated temperatures. In particular, ISCBCL displayed high enantioselectivity toward sterically demanding secondary alcohols (types VIII and IX) which have two bulky substituents at the hydroxymethine center. DKR reactions were performed by the combination of ISCBCL with a ruthenium-based racemization catalyst at 25-60 °C. Forty-one secondary alcohols were tested for DKR. About half of them were transformed into their acetates of high enantiopurity (>90% ee) with good yields (>80%). It is concluded that ISCBCL appears to be a superb enzyme for the KR and DKR of secondary alcohols.

Derivation of fluid dynamics from kinetic theory with the 14-moment approximation

International Nuclear Information System (INIS)

Denicol, G.S.; Molnar, E.; Niemi, H.; Rischke, D.H.

2012-01-01

We review the traditional derivation of the fluid-dynamical equations from kinetic theory according to Israel and Stewart. We show that their procedure to close the fluid-dynamical equations of motion is not unique. Their approach contains two approximations, the first being the so-called 14-moment approximation to truncate the single-particle distribution function. The second consists in the choice of equations of motion for the dissipative currents. Israel and Stewart used the second moment of the Boltzmann equation, but this is not the only possible choice. In fact, there are infinitely many moments of the Boltzmann equation which can serve as equations of motion for the dissipative currents. All resulting equations of motion have the same form, but the transport coefficients are different in each case. (orig.)

Sensitivity of molecular vibrational dynamics to energy exchange rate constants

International Nuclear Information System (INIS)

Billing, G D; Coletti, C; Kurnosov, A K; Napartovich, A P

2003-01-01

The sensitivity of molecular vibrational population dynamics, governing the CO laser operated in fundamental and overtone transitions, to vibration-to-vibration rate constants is investigated. With this aim, three rate constant sets have been used, differing in their completeness (i.e. accounting for single-quantum exchange only, or for multi-quantum exchange with a limited number of rate constants obtained by semiclassical calculations, and, finally, with an exhaustive set of rate constants including asymmetric exchange processes, as well) and in the employed interaction potential. The most complete set among these three is introduced in this paper. An existing earlier kinetic model was updated to include the latter new data. Comparison of data produced by kinetic modelling with the above mentioned sets of rate constants shows that the vibrational distribution function, and, in particular, the CO overtone laser characteristics, are very sensitive to the choice of the model. The most complete model predicts slower evolution of the vibrational distribution, in qualitative agreement with experiments

Dynamical scaling, domain-growth kinetics, and domain-wall shapes of quenched two-dimensional anisotropic XY models

DEFF Research Database (Denmark)

Mouritsen, Ole G.; Praestgaard, Eigil

1988-01-01

obeys dynamical scaling and the shape of the dynamical scaling function pertaining to the structure factor is found to depend on P. Specifically, this function is described by a Porod-law behavior, q-ω, where ω increases with the wall softness. The kinetic exponent, which describes how the linear domain...... infinite to zero temperature as well as to nonzero temperatures below the ordering transition. The continuous nature of the spin variables causes the domain walls to be ‘‘soft’’ and characterized by a finite thickness. The steady-state thickness of the walls can be varied by a model parameter, P. At zero...... size varies with time, R(t)∼tn, is for both models at zero temperature determined to be n≃0.25, independent of P. At finite temperatures, the growth kinetics is found to cross over to the Lifshitz-Allen-Cahn law characterized by n≃0.50. The results support the idea of two separate zero...

A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations.

Directory of Open Access Journals (Sweden)

Fabrizio Marinelli

2009-08-01

Full Text Available Trp-cage is a designed 20-residue polypeptide that, in spite of its size, shares several features with larger globular proteins.Although the system has been intensively investigated experimentally and theoretically, its folding mechanism is not yet fully understood. Indeed, some experiments suggest a two-state behavior, while others point to the presence of intermediates. In this work we show that the results of a bias-exchange metadynamics simulation can be used for constructing a detailed thermodynamic and kinetic model of the system. The model, although constructed from a biased simulation, has a quality similar to those extracted from the analysis of long unbiased molecular dynamics trajectories. This is demonstrated by a careful benchmark of the approach on a smaller system, the solvated Ace-Ala3-Nme peptide. For theTrp-cage folding, the model predicts that the relaxation time of 3100 ns observed experimentally is due to the presence of a compact molten globule-like conformation. This state has an occupancy of only 3% at 300 K, but acts as a kinetic trap.Instead, non-compact structures relax to the folded state on the sub-microsecond timescale. The model also predicts the presence of a state at Calpha-RMSD of 4.4 A from the NMR structure in which the Trp strongly interacts with Pro12. This state can explain the abnormal temperature dependence of the Pro12-delta3 and Gly11-alpha3 chemical shifts. The structures of the two most stable misfolded intermediates are in agreement with NMR experiments on the unfolded protein. Our work shows that, using biased molecular dynamics trajectories, it is possible to construct a model describing in detail the Trp-cage folding kinetics and thermodynamics in agreement with experimental data.

Wetting kinetics of water nano-droplet containing non-surfactant nanoparticles: A molecular dynamics study

International Nuclear Information System (INIS)

Lu, Gui; Hu, Han; Sun, Ying; Duan, Yuanyuan

2013-01-01

In this Letter, dynamic wetting of water nano-droplets containing non-surfactant gold nanoparticles on a gold substrate is examined via molecular dynamics simulations. The results show that the addition of non-surfactant nanoparticles hinders the nano-second droplet wetting process, attributed to the increases in both surface tension of the nanofluid and friction between nanofluid and substrate. The droplet wetting kinetics decreases with increasing nanoparticle loading and water-particle interaction energy. The observed wetting suppression and the absence of nanoparticle ordering near the contact line of nano-sized droplets differ from the wetting behaviors reported from nanofluid droplets of micron size or larger

Airplane automatic control force trimming device for asymmetric engine failures

Science.gov (United States)

Stewart, Eric C. (Inventor)

1987-01-01

The difference in dynamic pressure in the propeller slipstreams as measured by sensors is divided by the freestream dynamic pressure generating a quantity proportional to the differential thrust coefficient. This quantity is used to command an electric trim motor to change the position of trim tab thereby retrimming the airplane to the new asymmetric power condition. The change in position of the trim tab produced by the electric trim motor is summed with the pilot's input to produce the actual trim tab position.

Cell chirality: its origin and roles in left-right asymmetric development.

Science.gov (United States)

Inaki, Mikiko; Liu, Jingyang; Matsuno, Kenji

2016-12-19

An item is chiral if it cannot be superimposed on its mirror image. Most biological molecules are chiral. The homochirality of amino acids ensures that proteins are chiral, which is essential for their functions. Chirality also occurs at the whole-cell level, which was first studied mostly in ciliates, single-celled protozoans. Ciliates show chirality in their cortical structures, which is not determined by genetics, but by 'cortical inheritance'. These studies suggested that molecular chirality directs whole-cell chirality. Intriguingly, chirality in cellular structures and functions is also found in metazoans. In Drosophila, intrinsic cell chirality is observed in various left-right (LR) asymmetric tissues, and appears to be responsible for their LR asymmetric morphogenesis. In other invertebrates, such as snails and Caenorhabditis elegans, blastomere chirality is responsible for subsequent LR asymmetric development. Various cultured cells of vertebrates also show intrinsic chirality in their cellular behaviours and intracellular structural dynamics. Thus, cell chirality may be a general property of eukaryotic cells. In Drosophila, cell chirality drives the LR asymmetric development of individual organs, without establishing the LR axis of the whole embryo. Considering that organ-intrinsic LR asymmetry is also reported in vertebrates, this mechanism may contribute to LR asymmetric development across phyla.This article is part of the themed issue 'Provocative questions in left-right asymmetry'. © 2016 The Authors.

Cell chirality: its origin and roles in left–right asymmetric development

Science.gov (United States)

Inaki, Mikiko; Liu, Jingyang

2016-01-01

An item is chiral if it cannot be superimposed on its mirror image. Most biological molecules are chiral. The homochirality of amino acids ensures that proteins are chiral, which is essential for their functions. Chirality also occurs at the whole-cell level, which was first studied mostly in ciliates, single-celled protozoans. Ciliates show chirality in their cortical structures, which is not determined by genetics, but by ‘cortical inheritance’. These studies suggested that molecular chirality directs whole-cell chirality. Intriguingly, chirality in cellular structures and functions is also found in metazoans. In Drosophila, intrinsic cell chirality is observed in various left–right (LR) asymmetric tissues, and appears to be responsible for their LR asymmetric morphogenesis. In other invertebrates, such as snails and Caenorhabditis elegans, blastomere chirality is responsible for subsequent LR asymmetric development. Various cultured cells of vertebrates also show intrinsic chirality in their cellular behaviours and intracellular structural dynamics. Thus, cell chirality may be a general property of eukaryotic cells. In Drosophila, cell chirality drives the LR asymmetric development of individual organs, without establishing the LR axis of the whole embryo. Considering that organ-intrinsic LR asymmetry is also reported in vertebrates, this mechanism may contribute to LR asymmetric development across phyla. This article is part of the themed issue ‘Provocative questions in left–right asymmetry’. PMID:27821533

Learning and forgetting on asymmetric, diluted neural networks

International Nuclear Information System (INIS)

Derrida, B.; Nadal, J.P.

1987-01-01

It is possible to construct diluted asymmetric models of neural networks for which the dynamics can be calculated exactly. The authors test several learning schemes, in particular, models for which the values of the synapses remain bounded and depend on the history. Our analytical results on the relative efficiencies of the various learning schemes are qualitatively similar to the corresponding ones obtained numerically on fully connected symmetric networks

Taxation and regulation of petroleum companies under asymmetric information; a monograph

Energy Technology Data Exchange (ETDEWEB)

Osmundsen, P

1994-12-01

The report relates to the taxation and regulation of petroleum companies. The main topics of this report are as follow: Taxation and regulation of petroleum companies under asymmetric information. A discussion of incentive problems and the principles for applying principal-agent analysis; taxation and regulation of petroleum companies under asymmetric information. A static adverse selection model; Petroleum Taxation with adverse selection. Interactions of dynamics in costs and information; Adverse selection and moral hazard in the petroleum industry, repeated auctions of incentive contracts; Petroleum taxation and regulation. Policy implications from principal-agent theory, and a comparison with the current Norwegian system. 54 refs., 7 figs.

Taxation and regulation of petroleum companies under asymmetric information; a monograph

International Nuclear Information System (INIS)

Osmundsen, P.

1994-12-01

The report relates to the taxation and regulation of petroleum companies. The main topics of this report are as follow: Taxation and regulation of petroleum companies under asymmetric information. A discussion of incentive problems and the principles for applying principal-agent analysis; taxation and regulation of petroleum companies under asymmetric information. A static adverse selection model; Petroleum Taxation with adverse selection. Interactions of dynamics in costs and information; Adverse selection and moral hazard in the petroleum industry, repeated auctions of incentive contracts; Petroleum taxation and regulation. Policy implications from principal-agent theory, and a comparison with the current Norwegian system. 54 refs., 7 figs

The kinetics of dynamic recrystallization of a low carbon vanadium-nitride microalloyed steel

International Nuclear Information System (INIS)

Zhao, Baochun; Zhao, Tan; Li, Guiyan; Lu, Qiang

2014-01-01

Single-pass compression tests were performed on a Gleeble-3800 thermo-mechanical simulator to study the dynamic recrystallization behavior of a low carbon vanadium-nitride microalloyed steel at the temperature in the range from 900 °C to 1050 °C and strain rate in the range from 0.1 s −1 to 10 s −1 . Based on the flow curves from the tests, the effects of temperature and strain rate on the dynamic recrystallization behavior were analyzed. With the assistance of the process parameters, constitutive equations were used to obtain the activation energy and hot working equation. The strain hardening rate versus stress curves were used to determine the critical stress (strain) or the peak stress (strain). The dependence of the characteristic values on Zener–Hollomon was found. The dynamic recrystallization kinetics model of the tested steel was constructed and the validity was confirmed based on the experimental results

Explanation of asymmetric dynamics of human water consumption in arid regions: prospect theory versus expected utility theory

Science.gov (United States)

Tian, F.; Lu, Y.

2017-12-01

Based on socioeconomic and hydrological data in three arid inland basins and error analysis, the dynamics of human water consumption (HWC) are analyzed to be asymmetric, i.e., HWC increase rapidly in wet periods while maintain or decrease slightly in dry periods. Besides the qualitative analysis that in wet periods great water availability inspires HWC to grow fast but the now expanded economy is managed to sustain by over-exploitation in dry periods, two quantitative models are established and tested, based on expected utility theory (EUT) and prospect theory (PT) respectively. EUT states that humans make decisions based on the total expected utility, namely the sum of utility function multiplied by probability of each result, while PT states that the utility function is defined over gains and losses separately, and probability should be replaced by probability weighting function.

A nanojet: propulsion of a molecular machine by an asymmetric distribution of reaction--products

Science.gov (United States)

Liverpool, Tanniemola; Golestanian, Ramin; Ajdari, Armand

2006-03-01

A simple model for the reaction-driven propulsion of a small device is proposed as a model for (part of) a molecular machine in aqueous media. Motion of the device is driven by an asymmetric distribution of reaction products. We calculate the propulsive velocity of the device as well as the scale of the velocity fluctuations. We also consider the effects of hydrodynamic flow as well as a number of different scenarios for the kinetics of the reaction.

Reversible rectification of vortex motion in magnetic and non-magnetic asymmetric pinning potentials

International Nuclear Information System (INIS)

Gonzalez, E.M.; Gonzalez, M.P.; Nunez, N.O.; Villegas, J.E.; Anguita, J.V.; Jaafa, M.; Asenjo, A.; Vicent, J.L.

2006-01-01

Nb films have been grown on arrays of asymmetric pinning centers. The lattice vortex dynamics could be modified, almost at will, by periodic pinning potentials. In the case of asymmetric pinning potentials a vortex ratchet effect occurs: the vortex lattice motion is rectified. That is, an injected ac current yields an output dc voltage, which polarity could be tuned. The output signal polarity could be switched with the applied magnetic field and the ac current strength. Ratchet effect occurs when asymmetric potentials induce outward particles flow under external fluctuations in the lack of driven direct outward forces. The output signal is similar using magnetic or non-magnetic submicrometric array of pinning centers. This device works as an adiabatic rocking ratchet. This superconducting ratchet could be a model to study biological motors

A Multivariate Asymmetric Long Memory Conditional Volatility Model with X, Regularity and Asymptotics

NARCIS (Netherlands)

M. Asai (Manabu); M.J. McAleer (Michael)

2016-01-01

textabstractThe paper derives a Multivariate Asymmetric Long Memory conditional volatility model with Exogenous Variables (X), or the MALMX model, with dynamic conditional correlations, appropriate regularity conditions, and associated asymptotic theory. This enables checking of internal consistency

Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation.

Science.gov (United States)

Zhao, Lei; Cheng, Jiangtao

2017-09-07

In this paper, we report molecular kinetic analyses of water spreading on hydrophobic surfaces via molecular dynamics simulation. The hydrophobic surfaces are composed of amorphous polytetrafluoroethylene (PTFE) with a static contact angle of ~112.4° for water. On the basis of the molecular kinetic theory (MKT), the influences of both viscous damping and solid-liquid retarding were analyzed in evaluating contact line friction, which characterizes the frictional force on the contact line. The unit displacement length on PTFE was estimated to be ~0.621 nm and is ~4 times as long as the bond length of C-C backbone. The static friction coefficient was found to be ~[Formula: see text] Pa·s, which is on the same order of magnitude as the dynamic viscosity of water, and increases with the droplet size. A nondimensional number defined by the ratio of the standard deviation of wetting velocity to the characteristic wetting velocity was put forward to signify the strength of the inherent contact line fluctuation and unveil the mechanism of enhanced energy dissipation in nanoscale, whereas such effect would become insignificant in macroscale. Moreover, regarding a liquid droplet on hydrophobic or superhydrophobic surfaces, an approximate solution to the base radius development was derived by an asymptotic expansion approach.

Computer-aided classification of lesions by means of their kinetic signatures in dynamic contrast-enhanced MR images

Science.gov (United States)

Twellmann, Thorsten; ter Haar Romeny, Bart

2008-03-01

The kinetic characteristics of tissue in dynamic contrast-enhanced magnetic resonance imaging data are an important source of information for the differentiation of benign and malignant lesions. Kinetic curves measured for each lesion voxel allow to infer information about the state of the local tissue. As a whole, they reflect the heterogeneity of the vascular structure within a lesion, an important criterion for the preoperative classification of lesions. Current clinical practice in analysis of tissue kinetics however is mainly based on the evaluation of the "most-suspect curve", which is only related to a small, manually or semi-automatically selected region-of-interest within a lesion and does not reflect any information about tissue heterogeneity. We propose a new method which exploits the full range of kinetic information for the automatic classification of lesions. Instead of breaking down the large amount of kinetic information to a single curve, each lesion is considered as a probability distribution in a space of kinetic features, efficiently represented by its kinetic signature obtained by adaptive vector quantization of the corresponding kinetic curves. Dissimilarity of two signatures can be objectively measured using the Mallows distance, which is a metric defined on probability distributions. The embedding of this metric in a suitable kernel function enables us to employ modern kernel-based machine learning techniques for the classification of signatures. In a study considering 81 breast lesions, the proposed method yielded an A z value of 0.89+/-0.01 for the discrimination of benign and malignant lesions in a nested leave-one-lesion-out evaluation setting.

Asymmetric cation-binding catalysis

DEFF Research Database (Denmark)

Oliveira, Maria Teresa; Lee, Jiwoong

2017-01-01

The employment of metal salts is quite limited in asymmetric catalysis, although it would provide an additional arsenal of safe and inexpensive reagents to create molecular functions with high optical purity. Cation chelation by polyethers increases the salts' solubility in conventional organic...... solvents, thus increasing their applicability in synthesis. The expansion of this concept to chiral polyethers led to the emergence of asymmetric cation-binding catalysis, where chiral counter anions are generated from metal salts, particularly using BINOL-based polyethers. Alkali metal salts, namely KF...... highly enantioselective silylation reactions in polyether-generated chiral environments, and leading to a record-high turnover in asymmetric organocatalysis. This can lead to further applications by the asymmetric use of other inorganic salts in various organic transformations....

Investigation of the far asymmetric region in 252Cf(sf)

International Nuclear Information System (INIS)

Hambsch, F.-J.; Oberstedt, S.

1997-01-01

A twin Frisch-gridded ionization chamber has been used to measure the fission fragment mass, kinetic-energy and angular correlations for 252 Cf(sf). In total 2.5 x 10 8 events were collected. The focus was in the far asymmetric mass region, where enhancements in the yield had been found earlier. It could be shown, that these findings are due to false events, coming from either close geometries not properly taking into account the angular-dependent energy loss in the sample and backing, from a too large angular cone selected in case of studies employing ionization chambers, or even from poor target qualities. (orig.)

Real-time dynamics of dissipative quantum systems

International Nuclear Information System (INIS)

Chow, K.S.

1988-01-01

The first part of this thesis motivates a real time approach to the dynamics of dissipative quantum systems. We review previous imaginary time methods for calculating escape rates and discuss their applications to the analysis of data in macroscopic quantum tunneling experiments. In tunneling experiments on heavily damped Superconducting Quantum Interference Devices, the instanton method gave results that compare reasonably well with data. In tunneling experiments on weakly damped Current Biased Josephson Junctions, two problems arise. First, the classical limit of the instanton result disagrees with the classical rate of thermal activation. Second, the instanton method cannot predict the microwave enhancement of escape rates. In the third chapter, we discuss our real time approach to the dynamics of dissipative systems in terms of a kinetic equation for the reduced density matrix. We demonstrate some known equilibrium properties of dissipative systems through the kinetic equation and derived the bath induced widths and energy shifts. In the low damping limit, the kinetic equation reduces to a much simpler master equation. The classical limit of the master equation is completely equivalent to the Fokker-Planck equation that describes thermal activation. In the fourth chapter, we apply the master equation to the problem of tunneling and resonance enhancement of tunneling in weakly damped current biased Josephson junctions. In the classical regime, microwaves of the appropriate frequency induce resonances between many neighboring levels and an asymmetrical resonance peak is measured. We can calibrate the junction parameters by fitting the stationary solution of the master equation to the classical resonance data. In the quantum regime, the stationary solution of the master equation, predicts well-resolved resonance peaks which agree very well with the observed data

A coupled 3-D kinetics/system thermal-hydraulic analysis of main steam line break accident for Optimized Power Reactor 1000

Energy Technology Data Exchange (ETDEWEB)

Jin, Yung Kwon; Choi, Chul Jin; Kim, Eun Kee; Lee, Sang Yong [Korea Power Engineering Company, Inc, 150 Deokjin-dong, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of)

2006-07-01

This paper presents the results of the coupled 3-D neutronics/thermal-hydraulic analysis of hypothetical main steam line break (MSLB) accident for Optimized Power Reactor 1000. One of the major concerns of this accident is a return-to-power occurrence accompanied with extremely large radial peaking near the stuck Control Element Assembly (CEA). The conventional point kinetics application does not properly account for this kind of asymmetric and local core behavior. Therefore, the current licensing method of point kinetics application introduces some uncertainties and conservatisms in the physics parameters generation, e.g., the static net scram rod worth, moderator cooldown reactivity, Doppler reactivity, and a 3-D peaking factor. The recently developed UNICORN-TM code system is applied for the 3-D coupled calculation, where neutronics code MASTER is coupled with the best-estimate system transient code RETRAN. The 3-D coupled results were assessed in comparison with those by point kinetics application using stand-alone RETRAN application. To quantify the 3-D reactivity benefits over point kinetics, both calculations assumed the accidents to be initiated from the same core state, e.g., end of cycle burnup, fuel and CEA configuration with the same initial moderator and Doppler temperature coefficient, and with initial system thermal-hydraulic condition. The core physics parameters required for point kinetics application were produced using MASTER with the method and procedure consistent with the current licensing application. The occurrence of return-to-power was simulated by intentionally reducing the net CEA worth in order to assess the spatial power distribution and local T-H effect on the dynamic reactivity feedback. The results have demonstrated that the 3-D analysis removes some of the conservatisms inherent in point kinetics analysis mainly caused by the inability to properly account for local reactivity feedback effects during return-to-power transient

A coupled 3-D kinetics/system thermal-hydraulic analysis of main steam line break accident for Optimized Power Reactor 1000

International Nuclear Information System (INIS)

Jin, Yung Kwon; Choi, Chul Jin; Kim, Eun Kee; Lee, Sang Yong

2006-01-01

This paper presents the results of the coupled 3-D neutronics/thermal-hydraulic analysis of hypothetical main steam line break (MSLB) accident for Optimized Power Reactor 1000. One of the major concerns of this accident is a return-to-power occurrence accompanied with extremely large radial peaking near the stuck Control Element Assembly (CEA). The conventional point kinetics application does not properly account for this kind of asymmetric and local core behavior. Therefore, the current licensing method of point kinetics application introduces some uncertainties and conservatisms in the physics parameters generation, e.g., the static net scram rod worth, moderator cooldown reactivity, Doppler reactivity, and a 3-D peaking factor. The recently developed UNICORN-TM code system is applied for the 3-D coupled calculation, where neutronics code MASTER is coupled with the best-estimate system transient code RETRAN. The 3-D coupled results were assessed in comparison with those by point kinetics application using stand-alone RETRAN application. To quantify the 3-D reactivity benefits over point kinetics, both calculations assumed the accidents to be initiated from the same core state, e.g., end of cycle burnup, fuel and CEA configuration with the same initial moderator and Doppler temperature coefficient, and with initial system thermal-hydraulic condition. The core physics parameters required for point kinetics application were produced using MASTER with the method and procedure consistent with the current licensing application. The occurrence of return-to-power was simulated by intentionally reducing the net CEA worth in order to assess the spatial power distribution and local T-H effect on the dynamic reactivity feedback. The results have demonstrated that the 3-D analysis removes some of the conservatisms inherent in point kinetics analysis mainly caused by the inability to properly account for local reactivity feedback effects during return-to-power transient

Using Dynamic Contrast-Enhanced Magnetic Resonance Imaging Data to Constrain a Positron Emission Tomography Kinetic Model: Theory and Simulations

Directory of Open Access Journals (Sweden)

Jacob U. Fluckiger

2013-01-01

Full Text Available We show how dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI data can constrain a compartmental model for analyzing dynamic positron emission tomography (PET data. We first develop the theory that enables the use of DCE-MRI data to separate whole tissue time activity curves (TACs available from dynamic PET data into individual TACs associated with the blood space, the extravascular-extracellular space (EES, and the extravascular-intracellular space (EIS. Then we simulate whole tissue TACs over a range of physiologically relevant kinetic parameter values and show that using appropriate DCE-MRI data can separate the PET TAC into the three components with accuracy that is noise dependent. The simulations show that accurate blood, EES, and EIS TACs can be obtained as evidenced by concordance correlation coefficients >0.9 between the true and estimated TACs. Additionally, provided that the estimated DCE-MRI parameters are within 10% of their true values, the errors in the PET kinetic parameters are within approximately 20% of their true values. The parameters returned by this approach may provide new information on the transport of a tracer in a variety of dynamic PET studies.

Dealing with distrust and power dynamics: asymmetric relations among stakeholders in responsive evaluation

NARCIS (Netherlands)

Baur, V.E.; van Elteren, A.H.G.; Nierse, C.J.; Abma, T.A.

2010-01-01

Asymmetric relations among stakeholders create challenges in participatory evaluation processes. Power and conflict may hinder equal and genuine communication about the value of the practices evaluated. Guidelines to deal with these sociopolitical challenges are scarce and usually focus on the need

Dynamic phase transition in the kinetic spin-2 Blume-Emery-Griffiths model in an oscillating field

International Nuclear Information System (INIS)

Ertas, Mehmet; Canko, Osman; Keskin, Mustafa

2008-01-01

We extend our recent paper [M. Keskin, O. Canko, M. Ertas, J. Exp. Theor. Phys. (Sov. Phys. JETP) 105 (2007) 1190.] to present a study, within a mean-field approach, the stationary states of the kinetic spin-2 Blume-Emery-Griffiths model in the presence of a time-dependent oscillating magnetic field by using the Glauber-type of stochastic dynamics. We found 20 fundamental types of dynamic phase diagrams where exhibit more complex and richer phase diagrams than our recent paper. Especially, the obtained dynamic phase diagrams show the dynamic triple, quadruple and dynamic double critical end points besides dynamic tricritical points that depending on interaction parameters. The phase diagrams also exhibit a disordered (d) and the ferromagnetic-2 (f 2 ) phases, and the f 2 +d, f 2 +fq, fq+d, f 2 +f 1 +fq and f 2 +fq+d, where f 1 are fq the ferromagnetic-1 and ferroquadrupolar or simply quadrupolar phases respectively, coexistence phase regions that strongly depend on interaction parameters

Dynamic phase transition in the kinetic spin-2 Blume-Emery-Griffiths model in an oscillating field

Science.gov (United States)

Ertaş, Mehmet; Canko, Osman; Keskin, Mustafa

We extend our recent paper [M. Keskin, O. Canko, M. Ertaş, J. Exp. Theor. Phys. (Sov. Phys. JETP) 105 (2007) 1190.] to present a study, within a mean-field approach, the stationary states of the kinetic spin-2 Blume-Emery-Griffiths model in the presence of a time-dependent oscillating magnetic field by using the Glauber-type of stochastic dynamics. We found 20 fundamental types of dynamic phase diagrams where exhibit more complex and richer phase diagrams than our recent paper. Especially, the obtained dynamic phase diagrams show the dynamic triple, quadruple and dynamic double critical end points besides dynamic tricritical points that depending on interaction parameters. The phase diagrams also exhibit a disordered ( d) and the ferromagnetic-2 ( f2) phases, and the f2+ d, f2+ fq, fq+ d, f2+ f1+ fq and f2+ fq+ d, where f1 are fq the ferromagnetic-1 and ferroquadrupolar or simply quadrupolar phases respectively, coexistence phase regions that strongly depend on interaction parameters.

DIFLUORPHOS and SYNPHOS in asymmetric catalysis: Synthetic ...

Indian Academy of Sciences (India)

ture did not significantly affect the stereochemical out- come. For this process ..... economy concepts.36 In 2012, Zhang, Ratovelomanana-. Vidal and co-workers ..... broad spectrum cancer therapeutic agents.53 To this end, dynamic kinetic ...

Is cancer a pure growth curve or does it follow a kinetics of dynamical structural transformation?

Science.gov (United States)

González, Maraelys Morales; Joa, Javier Antonio González; Cabrales, Luis Enrique Bergues; Pupo, Ana Elisa Bergues; Schneider, Baruch; Kondakci, Suleyman; Ciria, Héctor Manuel Camué; Reyes, Juan Bory; Jarque, Manuel Verdecia; Mateus, Miguel Angel O'Farril; González, Tamara Rubio; Brooks, Soraida Candida Acosta; Cáceres, José Luis Hernández; González, Gustavo Victoriano Sierra

2017-03-07

Unperturbed tumor growth kinetics is one of the more studied cancer topics; however, it is poorly understood. Mathematical modeling is a useful tool to elucidate new mechanisms involved in tumor growth kinetics, which can be relevant to understand cancer genesis and select the most suitable treatment. The classical Kolmogorov-Johnson-Mehl-Avrami as well as the modified Kolmogorov-Johnson-Mehl-Avrami models to describe unperturbed fibrosarcoma Sa-37 tumor growth are used and compared with the Gompertz modified and Logistic models. Viable tumor cells (1×10 5 ) are inoculated to 28 BALB/c male mice. Modified Gompertz, Logistic, Kolmogorov-Johnson-Mehl-Avrami classical and modified Kolmogorov-Johnson-Mehl-Avrami models fit well to the experimental data and agree with one another. A jump in the time behaviors of the instantaneous slopes of classical and modified Kolmogorov-Johnson-Mehl-Avrami models and high values of these instantaneous slopes at very early stages of tumor growth kinetics are observed. The modified Kolmogorov-Johnson-Mehl-Avrami equation can be used to describe unperturbed fibrosarcoma Sa-37 tumor growth. It reveals that diffusion-controlled nucleation/growth and impingement mechanisms are involved in tumor growth kinetics. On the other hand, tumor development kinetics reveals dynamical structural transformations rather than a pure growth curve. Tumor fractal property prevails during entire TGK.

The coke drum thermal kinetic effects

Energy Technology Data Exchange (ETDEWEB)

Aldescu, Maria M.; Romero, Sim; Larson, Mel [KBC Advanced Technologies plc, Surrey (United Kingdom)

2012-07-01

The coke drum thermal kinetic dynamics fundamentally affect the coker unit yields as well as the coke product properties and unit reliability. In the drum the thermal cracking and polymerization or condensation reactions take place in a semi-batch environment. Understanding the fundamentals of the foaming kinetics that occur in the coke drums is key to avoiding a foam-over that could result in a unit shutdown for several months. Although the most dynamic changes with time occur during drum filling, other dynamics of the coker process will be discussed as well. KBC has contributed towards uncovering and modelling the complexities of heavy oil thermal dynamics. (author)

Asymmetric syntheses of 3,4-disubstituted tetrahydroquinoline derivatives using (+)- sparteine-mediated electrophilic substitution

International Nuclear Information System (INIS)

Choi, Yun Soo; Kang, Kyoung Hee; Park, Yong Sun

2015-01-01

Tetrahydroquinolines bearing substituents are frequently found as a substructure in a number of alkaloids and natural products. Since their individual stereoisomers displays different biological activities, it is desirable to develop a highly stereoselective synthetic method for tetrahydroquinolines. While some progress has recently been made toward the development of asymmetric synthetic methods for tetrahydroquinolines, it is still a challenging topic in organic synthesis. In order to investigate the source of diastereoselection attained in the substitution reaction with a racemic epoxide, we examined the substitution of 2 with an excess amount of racemic p-chlorophenyl-substituted oxirane. We have developed a novel method for the asymmetric synthesis of trans-3,4-diaryl-substituted tetrahy- droquinolines from ortho-substituted N-pivaloyl anilines. The enantioselective process includes (+)-sparteine-mediated stereoselective lithiati on, kinetic resolution of epoxides in substitution, and stereospecific Mitsu nobu cyclization as the key reactions. The simple protocol can provide highly functionalized tetrahydroqu inoline rings and would allow their further functionalization to access more complex target molecules

Asymmetric syntheses of 3,4-disubstituted tetrahydroquinoline derivatives using (+)- sparteine-mediated electrophilic substitution

Energy Technology Data Exchange (ETDEWEB)

Choi, Yun Soo; Kang, Kyoung Hee; Park, Yong Sun [Dept. of Chemistry, Konkuk University, Seoul (Korea, Republic of)

2015-05-15

Tetrahydroquinolines bearing substituents are frequently found as a substructure in a number of alkaloids and natural products. Since their individual stereoisomers displays different biological activities, it is desirable to develop a highly stereoselective synthetic method for tetrahydroquinolines. While some progress has recently been made toward the development of asymmetric synthetic methods for tetrahydroquinolines, it is still a challenging topic in organic synthesis. In order to investigate the source of diastereoselection attained in the substitution reaction with a racemic epoxide, we examined the substitution of 2 with an excess amount of racemic p-chlorophenyl-substituted oxirane. We have developed a novel method for the asymmetric synthesis of trans-3,4-diaryl-substituted tetrahy- droquinolines from ortho-substituted N-pivaloyl anilines. The enantioselective process includes (+)-sparteine-mediated stereoselective lithiati on, kinetic resolution of epoxides in substitution, and stereospecific Mitsu nobu cyclization as the key reactions. The simple protocol can provide highly functionalized tetrahydroqu inoline rings and would allow their further functionalization to access more complex target molecules.

Intrinsic potential of cell membranes: opposite effects of lipid transmembrane asymmetry and asymmetric salt ion distribution

DEFF Research Database (Denmark)

Gurtovenko, Andrey A; Vattulainen, Ilpo

2009-01-01

Using atomic-scale molecular dynamics simulations, we consider the intrinsic cell membrane potential that is found to originate from a subtle interplay between lipid transmembrane asymmetry and the asymmetric distribution of monovalent salt ions on the two sides of the cell membrane. It turns out......Cl saline solution and the PE leaflet is exposed to KCl, the outcome is that the effects of asymmetric lipid and salt ion distributions essentially cancel one another almost completely. Overall, our study highlights the complex nature of the intrinsic potential of cell membranes under physiological...... that both the asymmetric distribution of phosphatidylcholine (PC) and phosphatidylethanolamine (PE) lipids across a membrane and the asymmetric distribution of NaCl and KCl induce nonzero drops in the transmembrane potential. However, these potential drops are opposite in sign. As the PC leaflet faces a Na...

Interplay between excitation kinetics and reaction-center dynamics in purple bacteria

International Nuclear Information System (INIS)

Caycedo-Soler, Felipe; RodrIguez, Ferney J; Quiroga, Luis; Johnson, Neil F

2010-01-01

Photosynthesis is arguably the fundamental process of life, since it enables energy from the Sun to enter the food chain on the Earth. It is a remarkable non-equilibrium process in which photons are converted to many-body excitations, which traverse a complex biomolecular membrane, where they are captured and fuel chemical reactions within a reaction center (RC) in order to produce nutrients. The precise nature of these dynamical processes-which lie at the interface between quantum and classical behavior and involve both noise and coordination-is still being explored. Here, we focus on a striking recent empirical finding concerning an illumination-driven transition in the biomolecular membrane architecture of the purple bacteria Rsp. photometricum. Using stochastic realizations to describe a hopping rate model for excitation transfer, we show numerically and analytically that this surprising shift in preferred architectures can be traced to the interplay between the excitation kinetics and the RC dynamics. The net effect is that the bacteria profit from efficient metabolism at low illumination intensities while using dissipation to avoid an oversupply of energy at high illumination intensities.

Structure, Dynamics, and Kinetics of Weak Protein-Protein Complexes from NMR Spin Relaxation Measurements of Titrated Solutions

International Nuclear Information System (INIS)

Salmon, L.; Licinio, A.; Jensen, M.R.; Blackledge, M.; Ortega Roldan, J.L.; Van Nuland, N.; Lescop, E.

2011-01-01

We have recently presented a titration approach for the determination of residual dipolar couplings (RDCs) from experimentally inaccessible complexes. Here, we extend this approach to the measurement of 15 N spin relaxation rates and demonstrate that this can provide long-range structural, dynamic, and kinetic information about these elusive systems. (authors)

A deterministic mathematical model for bidirectional excluded flow with Langmuir kinetics.

Science.gov (United States)

Zarai, Yoram; Margaliot, Michael; Tuller, Tamir

2017-01-01

In many important cellular processes, including mRNA translation, gene transcription, phosphotransfer, and intracellular transport, biological "particles" move along some kind of "tracks". The motion of these particles can be modeled as a one-dimensional movement along an ordered sequence of sites. The biological particles (e.g., ribosomes or RNAPs) have volume and cannot surpass one another. In some cases, there is a preferred direction of movement along the track, but in general the movement may be bidirectional, and furthermore the particles may attach or detach from various regions along the tracks. We derive a new deterministic mathematical model for such transport phenomena that may be interpreted as a dynamic mean-field approximation of an important model from mechanical statistics called the asymmetric simple exclusion process (ASEP) with Langmuir kinetics. Using tools from the theory of monotone dynamical systems and contraction theory we show that the model admits a unique steady-state, and that every solution converges to this steady-state. Furthermore, we show that the model entrains (or phase locks) to periodic excitations in any of its forward, backward, attachment, or detachment rates. We demonstrate an application of this phenomenological transport model for analyzing ribosome drop off in mRNA translation.

Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

Directory of Open Access Journals (Sweden)

Atsushi M. Ito

2017-08-01

Full Text Available The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Monte-Carlo (KMC simulation to treat an asymmetric grain boundary structure that corresponds to target samples used in fusion material experiments for retention and permeation. In this method, local minimum energy sites and migration paths for impurity atoms in the grain boundary structure are automatically found using localized molecular dynamics. The grain boundary structure was generated with the Voronoi diagram. Consequently, we demonstrate that the KMC simulation for the diffusion process of impurity atoms in the generated grain boundary structure of tungsten material can be performed.

Charge Asymmetric Cosmic Rays as a probe of Flavor Violating Asymmetric Dark Matter

DEFF Research Database (Denmark)

Masina, Isabella; Sannino, Francesco

2011-01-01

The recently introduced cosmic sum rules combine the data from PAMELA and Fermi-LAT cosmic ray experiments in a way that permits to neatly investigate whether the experimentally observed lepton excesses violate charge symmetry. One can in a simple way determine universal properties of the unknown...... component of the cosmic rays. Here we attribute a potential charge asymmetry to the dark sector. In particular we provide models of asymmetric dark matter able to produce charge asymmetric cosmic rays. We consider spin zero, spin one and spin one-half decaying dark matter candidates. We show that lepton...... flavor violation and asymmetric dark matter are both required to have a charge asymmetry in the cosmic ray lepton excesses. Therefore, an experimental evidence of charge asymmetry in the cosmic ray lepton excesses implies that dark matter is asymmetric....

Kinetic modeling of particle dynamics in H{sup −} negative ion sources (invited)

Energy Technology Data Exchange (ETDEWEB)

Hatayama, A., E-mail: akh@ppl.appi.keio.ac.jp; Shibata, T.; Nishioka, S.; Ohta, M.; Yasumoto, M.; Nishida, K.; Yamamoto, T. [Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, 223-8522 (Japan); Miyamoto, K. [Naruto University of Education, 748 Nakashima, Takashima, Naruto-cho, Naruto-shi, Tokushima 772-8502 (Japan); Fukano, A. [Monozukuri Department, Tokyo Metropolitan College of Industrial Technology, Shinagawa, Tokyo 140-0011 (Japan); Mizuno, T. [Department of Management Science, College of Engineering, Tamagawa University, Machida, Tokyo 194-8610 (Japan)

2014-02-15

Progress in the kinetic modeling of particle dynamics in H{sup −} negative ion source plasmas and their comparisons with experiments are reviewed, and discussed with some new results. Main focus is placed on the following two topics, which are important for the research and development of large negative ion sources and high power H{sup −} ion beams: (i) Effects of non-equilibrium features of EEDF (electron energy distribution function) on H{sup −} production, and (ii) extraction physics of H{sup −} ions and beam optics.

Wetting kinetics of nanodroplets on lyophilic nanopillar-arrayed surfaces: A molecular dynamics study

Science.gov (United States)

Zong, Diyuan; Yang, Zhen; Duan, Yuanyuan

2017-10-01

Wetting kinetics of water droplets on substrates with lyophilic nanopillars was investigated using molecular dynamics simulations. Early spreading of the droplet is hindered by the nanopillars because of the penetration of the liquid which induce an extra dissipation in the droplet. Droplet spreading is mainly controlled by liquid viscosity and surface tension and not dependent on solid wettability. Propagation of the fringe film is hindered by the enhanced solid wettability because of the energy barrier introduced by the interaction between water molecules and nanopillars which increase with solid wettability.

Immortal DNA strand cosegregation requires p53/IMPDH-dependent asymmetric self-renewal associated with adult stem cells.

Science.gov (United States)

Rambhatla, Lakshmi; Ram-Mohan, Sumati; Cheng, Jennifer J; Sherley, James L

2005-04-15

Because they are long-lived and cycle continuously, adult stem cells (ASCs) are predicted as the most common precursor for cancers in adult mammalian tissues. Two unique attributes have been proposed to restrict the carcinogenic potential of ASCs. These are asymmetric self-renewal that limits their number and immortal DNA strand cosegregation that limits their accumulation of mutations due to DNA replication errors. Until recently, the molecular basis and regulation of these important ASC-specific functions were unknown. We developed engineered cultured cells that exhibit asymmetric self-renewal and immortal DNA strand cosegregation. These model cells were used to show that both ASC-specific functions are regulated by the p53 cancer gene. Previously, we proposed that IMP dehydrogenase (IMPDH) was an essential factor for p53-dependent asymmetric self-renewal. We now confirm this proposal and provide quantitative evidence that asymmetric self-renewal is acutely sensitive to even modest changes in IMPDH expression. These analyses reveal that immortal DNA strand cosegregation is also regulated by IMPDH and confirm the original implicit precept that immortal DNA strand cosegregation is specific to cells undergoing asymmetric self-renewal (i.e., ASCs). With IMPDH being the rate-determining enzyme for guanine ribonucleotide (rGNP) biosynthesis, its requirement implicates rGNPs as important regulators of ASC asymmetric self-renewal and immortal DNA strand cosegregation. An in silico analysis of global gene expression data from human cancer cell lines underscored the importance of p53-IMPDH-rGNP regulation for normal tissue cell kinetics, providing further support for the concept that ASCs are key targets for adult tissue carcinogenesis.

Cyclodextrins in Asymmetric and Stereospecific Synthesis

Directory of Open Access Journals (Sweden)

Fliur Macaev

2015-09-01

Full Text Available Since their discovery, cyclodextrins have widely been used as green and easily available alternatives to promoters or catalysts of different chemical reactions in water. This review covers the research and application of cyclodextrins and their derivatives in asymmetric and stereospecific syntheses, with their division into three main groups: (1 cyclodextrins promoting asymmetric and stereospecific catalysis in water; (2 cyclodextrins’ complexes with transition metals as asymmetric and stereospecific catalysts; and (3 cyclodextrins’ non-metallic derivatives as asymmetric and stereospecific catalysts. The scope of this review is to systematize existing information on the contribution of cyclodextrins to asymmetric and stereospecific synthesis and, thus, to facilitate further development in this direction.

Cosmology in time asymmetric extensions of general relativity

International Nuclear Information System (INIS)

Leon, Genly; Saridakis, Emmanuel N.

2015-01-01

We investigate the cosmological behavior in a universe governed by time asymmetric extensions of general relativity, which is a novel modified gravity based on the addition of new, time-asymmetric, terms on the Hamiltonian framework, in a way that the algebra of constraints and local physics remain unchanged. Nevertheless, at cosmological scales these new terms can have significant effects that can alter the universe evolution, both at early and late times, and the freedom in the choice of the involved modification function makes the scenario able to produce a huge class of cosmological behaviors. For basic ansatzes of modification, we perform a detailed dynamical analysis, extracting the stable late-time solutions. Amongst others, we find that the universe can result in dark-energy dominated, accelerating solutions, even in the absence of an explicit cosmological constant, in which the dark energy can be quintessence-like, phantom-like, or behave as an effective cosmological constant. Moreover, it can result to matter-domination, or to a Big Rip, or experience the sequence from matter to dark energy domination. Additionally, in the case of closed curvature, the universe may experience a cosmological bounce or turnaround, or even cyclic behavior. Finally, these scenarios can easily satisfy the observational and phenomenological requirements. Hence, time asymmetric cosmology can be a good candidate for the description of the universe

Kinetic Resolution and Stereoselective Synthesis of 3-Substituted Aspartic Acids by Using Engineered Methylaspartate Ammonia Lyases

NARCIS (Netherlands)

Raj, Hans; Szymanski, Wiktor; Villiers, Jandré de; Puthan Veetil, Vinod; Quax, Wim J.; Shimamoto, Keiko; Janssen, Dick B.; Feringa, Ben L.; Poelarends, Gerrit J.

2013-01-01

Kinetic resolution and asymmetric synthesis of various valuable 3-substituted aspartic acids, which were obtained in fair to good yields with diastereomeric ratio values of up to >98:2 and enantiomeric excess values of up to >99 %, by using engineered methylaspartate ammonia lyases are described.

Principles of asymmetric synthesis

CERN Document Server

Gawley, Robert E; Aube, Jeffrey

2012-01-01

The world is chiral. Most of the molecules in it are chiral, and asymmetric synthesis is an important means by which enantiopure chiral molecules may be obtained for study and sale. Using examples from the literature of asymmetric synthesis, this book presents a detailed analysis of the factors that govern stereoselectivity in organic reactions. After an explanation of the basic physical-organic principles governing stereoselective reactions, the authors provide a detailed, annotated glossary of stereochemical terms. A chapter on "Practical Aspects of Asymmetric Synthesis" provides a critical overview of the most common methods for the preparation of enantiomerically pure compounds, techniques for analysis of stereoisomers using chromatographic, spectroscopic, and chiroptical methods. The authors then present an overview of the most important methods in contemporary asymmetric synthesis organized by reaction type. Thus, there are four chapters on carbon-carbon bond forming reactions, one chapter on reductions...

Kinetic Behavior of on Various Cheeses under Constant and Dynamic Temperature

Directory of Open Access Journals (Sweden)

K. Kim

2014-07-01

Full Text Available In this study, we developed kinetic models to predict the growth of pathogenic Escherichia coli on cheeses during storage at constant and changing temperatures. A five-strain mixture of pathogenic E. coli was inoculated onto natural cheeses (Brie and Camembert and processed cheeses (sliced Mozzarella and sliced Cheddar at 3 to 4 log CFU/g. The inoculated cheeses were stored at 4, 10, 15, 25, and 30°C for 1 to 320 h, with a different storage time being used for each temperature. Total bacteria and E. coli cells were enumerated on tryptic soy agar and MacConkey sorbitol agar, respectively. E. coli growth data were fitted to the Baranyi model to calculate the maximum specific growth rate (μmax; log CFU/g/h, lag phase duration (LPD; h, lower asymptote (log CFU/g, and upper asymptote (log CFU/g. The kinetic parameters were then analyzed as a function of storage temperature, using the square root model, polynomial equation, and linear equation. A dynamic model was also developed for varying temperature. The model performance was evaluated against observed data, and the root mean square error (RMSE was calculated. At 4°C, E. coli cell growth was not observed on any cheese. However, E. coli growth was observed at 10°C to 30°C with a μmax of 0.01 to 1.03 log CFU/g/h, depending on the cheese. The μmax values increased as temperature increased, while LPD values decreased, and μmax and LPD values were different among the four types of cheese. The developed models showed adequate performance (RMSE = 0.176–0.337, indicating that these models should be useful for describing the growth kinetics of E. coli on various cheeses.

Comparison of morphological and kinetic parameters in distinction of benign and malignant breast lesions in dynamic contrast enhanced magnetic resonance imaging

Directory of Open Access Journals (Sweden)

Direnç Özlem Aksoy

2013-12-01

Full Text Available Objective: To evaluate the value of qualitative morphologicaland kinetic data and quantitative kinetic data indistinction of malignancy in dynamic contrast enhancedmagnetic resonance imaging (DCE-MRI of the breast.Methods: DCE-MRIs of 49 subjects were evaluated.Morphological and contrast enhancement parameters of95 lesions were recorded in these subjects. Post-contrastkinetic behavior of these lesions were also investigated.Among the quantitative parameters, relative enhancements(E1, E2, Epeak, time-to-peak (Tpeak, slope ofcurve (Slope, signal enhancement ratio (SER, and maximumintensity time ratio (MITR were calculated. Theseresults were compared with the pathological diagnosis.Results: Spiculated contour (100%, rim enhancement(97.87%, irregular shape (95.74%, and irregular margin(91.49% were the most specific morphological featuresof malignancy in mass lesions. In non-mass lesions, focalzone (91.49% was the most specific feature of malignancy.74.5% of the benign lesions showed type 1, 77.1%of the malignant lesions showed type 2 and 3 curves accordingto the kinetic curve evaluation. All quantitativeparameters except Epeak were found to be statisticallysignificant in distinction of malignancy.Conclusion: None of the morphological features of thebenign lesions were found to be significantly specific.More specific features can be described for malignantlesions. Early behavior of the kinetic curve is not usefulfor diagnosis of malignancy but the intermediate and latebehavior gives useful information. Quantitative data involvedin this study might be promising.Key words: Morphological, kinetic, breast lesions, magnetic resonance imaging, dynamic

Dynamic phase transition in the kinetic spin-2 Blume-Emery-Griffiths model in an oscillating field

Energy Technology Data Exchange (ETDEWEB)

Ertas, Mehmet [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr

2008-06-15

We extend our recent paper [M. Keskin, O. Canko, M. Ertas, J. Exp. Theor. Phys. (Sov. Phys. JETP) 105 (2007) 1190.] to present a study, within a mean-field approach, the stationary states of the kinetic spin-2 Blume-Emery-Griffiths model in the presence of a time-dependent oscillating magnetic field by using the Glauber-type of stochastic dynamics. We found 20 fundamental types of dynamic phase diagrams where exhibit more complex and richer phase diagrams than our recent paper. Especially, the obtained dynamic phase diagrams show the dynamic triple, quadruple and dynamic double critical end points besides dynamic tricritical points that depending on interaction parameters. The phase diagrams also exhibit a disordered (d) and the ferromagnetic-2 (f{sub 2}) phases, and the f{sub 2}+d, f{sub 2}+fq, fq+d, f{sub 2}+f{sub 1}+fq and f{sub 2}+fq+d, where f{sub 1} are fq the ferromagnetic-1 and ferroquadrupolar or simply quadrupolar phases respectively, coexistence phase regions that strongly depend on interaction parameters.

Regression models for predicting peak and continuous three-dimensional spinal loads during symmetric and asymmetric lifting tasks.

Science.gov (United States)

Fathallah, F A; Marras, W S; Parnianpour, M

1999-09-01

Most biomechanical assessments of spinal loading during industrial work have focused on estimating peak spinal compressive forces under static and sagittally symmetric conditions. The main objective of this study was to explore the potential of feasibly predicting three-dimensional (3D) spinal loading in industry from various combinations of trunk kinematics, kinetics, and subject-load characteristics. The study used spinal loading, predicted by a validated electromyography-assisted model, from 11 male participants who performed a series of symmetric and asymmetric lifts. Three classes of models were developed: (a) models using workplace, subject, and trunk motion parameters as independent variables (kinematic models); (b) models using workplace, subject, and measured moments variables (kinetic models); and (c) models incorporating workplace, subject, trunk motion, and measured moments variables (combined models). The results showed that peak 3D spinal loading during symmetric and asymmetric lifting were predicted equally well using all three types of regression models. Continuous 3D loading was predicted best using the combined models. When the use of such models is infeasible, the kinematic models can provide adequate predictions. Finally, lateral shear forces (peak and continuous) were consistently underestimated using all three types of models. The study demonstrated the feasibility of predicting 3D loads on the spine under specific symmetric and asymmetric lifting tasks without the need for collecting EMG information. However, further validation and development of the models should be conducted to assess and extend their applicability to lifting conditions other than those presented in this study. Actual or potential applications of this research include exposure assessment in epidemiological studies, ergonomic intervention, and laboratory task assessment.

Coulomb and even-odd effects in cold and super-asymmetric fragmentation for thermal neutron induced fission of 235U

International Nuclear Information System (INIS)

Modesto, Montoya

2014-01-01

The Coulomb effects hypothesis is used to interpret even-odd effects of maximum total kinetic energy as a function of mass and charge of fragments from thermal neutron induced fission of 235 U. Assuming spherical fragments at scission, the Coulomb interaction energy between fragments (C sph ) is higher than the Q-value, the available energy. Therefore at scission the fragments must be deformed, so that the Coulomb interaction energy does not exceed the Q-value. The fact that the even-odd effects in the maximum total kinetic energy as a function of the charge and mass, respectively, are lower than the even-odd effects of Q is consistent with the assumption that odd mass fragments are softer than the even-even fragments. Even-odd effects of charge distribution in super asymmetric fragmentation also are interpreted with the Coulomb effect hypothesis. Because the difference between C sph and Q increases with asymmetry, fragmentations require higher total deformation energy to occur. Higher deformation energy of the fragments implies lower free energy to break pairs of nucleons. This explains why in the asymmetric fragmentation region, the even-odd effects of the distribution of proton number and neutron number increases with asymmetry. (author).

Synthesis method of asymmetric gold particles.

Science.gov (United States)

Jun, Bong-Hyun; Murata, Michael; Hahm, Eunil; Lee, Luke P

2017-06-07

Asymmetric particles can exhibit unique properties. However, reported synthesis methods for asymmetric particles hinder their application because these methods have a limited scale and lack the ability to afford particles of varied shapes. Herein, we report a novel synthetic method which has the potential to produce large quantities of asymmetric particles. Asymmetric rose-shaped gold particles were fabricated as a proof of concept experiment. First, silica nanoparticles (NPs) were bound to a hydrophobic micro-sized polymer containing 2-chlorotritylchloride linkers (2-CTC resin). Then, half-planar gold particles with rose-shaped and polyhedral structures were prepared on the silica particles on the 2-CTC resin. Particle size was controlled by the concentration of the gold source. The asymmetric particles were easily cleaved from the resin without aggregation. We confirmed that gold was grown on the silica NPs. This facile method for synthesizing asymmetric particles has great potential for materials science.

Discrete-Event Simulation with Agents for Modeling of Dynamic Asymmetric Threats in Maritime Security

National Research Council Canada - National Science Library

Ng, Chee W

2007-01-01

.... Discrete-event simulation (DES) was used to simulate a typical port-security, local, waterside-threat response model and to test the adaptive response of asymmetric threats in reaction to port-security procedures, while a multi-agent system (MAS...

Assessments of the kinetic and dynamic transient behavior of sub-critical systems (ADS) in comparison to critical reactor systems

International Nuclear Information System (INIS)

Schikorr, W.M.

2001-01-01

The neutron kinetic and the reactor dynamic behavior of Accelerator Driven Systems (ADS) is significantly different from those of conventional power reactor systems currently in use for the production of power. It is the objective of this study to examine and to demonstrate the intrinsic differences of the kinetic and dynamic behavior of accelerator driven systems to typical plant transient initiators in comparison to the known, kinetic and dynamic behavior of critical thermal and fast reactor systems. It will be shown that in sub-critical assemblies, changes in reactivity or in the external neutron source strength lead to an asymptotic power level essentially described by the instantaneous power change (i.e. prompt jump). Shutdown of ADS operating at high levels of sub-criticality, (i.e. k eff ∼0.99), without the support of reactivity control systems (such as control or safety rods), may be problematic in case the ability of cooling of the core should be impaired (i.e. loss of coolant flow). In addition, the dynamic behavior of sub-critical systems to typical plant transients such as protected or unprotected loss of flow (LOF) or heat sink (LOH) transients are not necessarily substantially different from the plant dynamic behavior of critical systems if the reactivity feedback coefficients of the ADS design are unfavorable. As expected, the state of sub-criticality and the temperature feedback coefficients, such as Doppler and coolant temperature coefficient, play dominant roles in determining the course and direction of plant transients. Should the combination of these safety coefficients be very unfavorable, not much additional margin in safety may be gained by making a critical system only sub-critical (i.e. k eff ∼0.95). A careful optimization procedure between the selected operating level of sub-criticality, the safety reactivity coefficients and the possible need for additional reactivity control systems seems, therefore, advisable during the early

Fluxionally chiral DMAP catalysts: kinetic resolution of axially chiral biaryl compounds.

Science.gov (United States)

Ma, Gaoyuan; Deng, Jun; Sibi, Mukund P

2014-10-27

Can organocatalysts that incorporate fluxional groups provide enhanced selectivity in asymmetric transformations? To address this issue, we have designed chiral 4-dimethylaminopyridine (DMAP) catalysts with fluxional chirality. These catalysts were found to be efficient in promoting the acylative kinetic resolution of secondary alcohols and axially chiral biaryl compounds with selectivity factors of up to 37 and 51, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Controllable soliton propagation based on phase-front curvature in asymmetrical nonlocal media

Science.gov (United States)

Zhang, Huafeng; Lü, Hua; Luo, Jianghua; Sun, Lihui

2016-08-01

The influence of phase-front curvature on the dynamical behavior of the fundamental mode soliton during its transmission in asymmetrical nonlocal media is studied in detail and the phase-front curvature can be imposed on the fundamental mode soliton by reshaping or phase imprinting technologies. By changing the phase-front curvature or its imposed position, controllable soliton propagation in asymmetrical nonlocal media can be achieved. Project supported by the National Natural Science Foundation of China (Grants Nos. 11547007 and 11304024), the Innovation Personnel Training Plan for Excellent Youth of Guangdong University Project (Grant No. 2013LYM_0023), and the Yangtze Fund for Youth Teams of Science and Technology Innovation (Grant No. 2015cqt03).

Reproducibility of intrarenal kinetics of Gd-DOTA with rabbits with dynamic MRI

International Nuclear Information System (INIS)

Grenier, N.; Broussin, J.; Barat, J.L.; Ducassou, D.

1989-01-01

Ten normal rabbits and seven rabbits with experimental acute renal failure by tubular necrosis were studied with dynamic MR to evaluate the reproducibility of intrarenal kinetics of Gd-DOTA. Sequential spin-echo sequences with short TR (200 msec)/TE (26 msec) were used yielding a 29 sec acquisition time. A usual semi-quantitative analysis of intrarenal contrast demonstrated the reproducilibity of some phases of the dynamic sequence in particular a drop in the signal within inner medulla between the third and the fourth minute after infusion. This effect, related to a high concentration of Gd-DOTA within the tubules was observed in 9 over 10 normal rabbits and in none of the rabbits with acute renal failure. The quantitative analysis calculation was based on relative signal intensity and contrast-to-noise ratio from the absolute signal intensity measure on regions-of-interest (ROI) on the cortex, outer medulla and inner medulla. No reproducibility of the variations with time of these parameters could be assessed. A gread number of factors of variations or error, mainly during the measurements of signal intensity with ROI, could explain this lack of reproducibility. At the present, dynamic MR is therefore not able to quantitatively evaluate the renal function. Only a semi-quantitative estimation of tubular concentration can be deduced [fr

Combination of Markov state models and kinetic networks for the analysis of molecular dynamics simulations of peptide folding.

Science.gov (United States)

Radford, Isolde H; Fersht, Alan R; Settanni, Giovanni

2011-06-09

Atomistic molecular dynamics simulations of the TZ1 beta-hairpin peptide have been carried out using an implicit model for the solvent. The trajectories have been analyzed using a Markov state model defined on the projections along two significant observables and a kinetic network approach. The Markov state model allowed for an unbiased identification of the metastable states of the system, and provided the basis for commitment probability calculations performed on the kinetic network. The kinetic network analysis served to extract the main transition state for folding of the peptide and to validate the results from the Markov state analysis. The combination of the two techniques allowed for a consistent and concise characterization of the dynamics of the peptide. The slowest relaxation process identified is the exchange between variably folded and denatured species, and the second slowest process is the exchange between two different subsets of the denatured state which could not be otherwise identified by simple inspection of the projected trajectory. The third slowest process is the exchange between a fully native and a partially folded intermediate state characterized by a native turn with a proximal backbone H-bond, and frayed side-chain packing and termini. The transition state for the main folding reaction is similar to the intermediate state, although a more native like side-chain packing is observed.

The Asymmetric Effects of Investor Sentiment

DEFF Research Database (Denmark)

Lutz, Chandler

2016-01-01

We use the returns on lottery-like stocks and a dynamic factor model to construct a novel index of investor sentiment. This new measure is highly correlated with other behavioral indicators, but more closely tracks speculative episodes. Our main new finding is that the effects of sentiment...... are asymmetric: During peak-to-trough periods of investor sentiment (sentiment contractions), high sentiment predicts low future returns for the cross section of speculative stocks and for the market overall, whereas the relationship between sentiment and future returns is positive but relatively weak during...... trough-to-peak episodes (sentiment expansions). Overall, these results match theories and anecdotal accounts of investor sentiment....

Globally aligned states and hydrodynamic traffic jams in confined suspensions of active asymmetric particles.

Science.gov (United States)

Lefauve, Adrien; Saintillan, David

2014-02-01

Strongly confined active liquids are subject to unique hydrodynamic interactions due to momentum screening and lubricated friction by the confining walls. Using numerical simulations, we demonstrate that two-dimensional dilute suspensions of fore-aft asymmetric polar swimmers in a Hele-Shaw geometry can exhibit a rich variety of novel phase behaviors depending on particle shape, including coherent polarized density waves with global alignment, persistent counterrotating vortices, density shocks and rarefaction waves. We also explain these phenomena using a linear stability analysis and a nonlinear traffic flow model, both derived from a mean-field kinetic theory.

Dynamic phase transition in the kinetic spin-3/2 Blume-Emery-Griffiths model in an oscillating field

Energy Technology Data Exchange (ETDEWEB)

Canko, Osman; Deviren, Bayram; Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2006-07-26

The dynamic phase transitions are studied, within a mean-field approach, in the kinetic Blume-Emery-Griffiths model under the presence of a time varying (sinusoidal) magnetic field by using the Glauber-type stochastic dynamics. The behaviour of the time-dependence of the order parameters and the behaviour of the average order parameters in a period, which is also called the dynamic order parameters, as a function of reduced temperature, are investigated. The nature (continuous and discontinuous) of transition is characterized by studying the average order parameters in a period. The dynamic phase transition points are obtained and the phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane. The phase diagrams exhibit one, two, or three dynamic tricritical points and a dynamic double critical end point, and besides a disordered and two ordered phases, seven coexistence phase regions exist, which strongly depend on interaction parameters. We also calculate the Liapunov exponent to verify the stability of solutions and the dynamic phase transition points.

Dynamic phase transition in the kinetic spin-3/2 Blume-Emery-Griffiths model in an oscillating field

International Nuclear Information System (INIS)

Canko, Osman; Deviren, Bayram; Keskin, Mustafa

2006-01-01

The dynamic phase transitions are studied, within a mean-field approach, in the kinetic Blume-Emery-Griffiths model under the presence of a time varying (sinusoidal) magnetic field by using the Glauber-type stochastic dynamics. The behaviour of the time-dependence of the order parameters and the behaviour of the average order parameters in a period, which is also called the dynamic order parameters, as a function of reduced temperature, are investigated. The nature (continuous and discontinuous) of transition is characterized by studying the average order parameters in a period. The dynamic phase transition points are obtained and the phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane. The phase diagrams exhibit one, two, or three dynamic tricritical points and a dynamic double critical end point, and besides a disordered and two ordered phases, seven coexistence phase regions exist, which strongly depend on interaction parameters. We also calculate the Liapunov exponent to verify the stability of solutions and the dynamic phase transition points

Investigation of nucleation kinetics in H2SO4 vapor through modeling of gas phase kinetics coupled with particle dynamics

Science.gov (United States)

Carlsson, Philip T. M.; Zeuch, Thomas

2018-03-01

We have developed a new model utilizing our existing kinetic gas phase models to simulate experimental particle size distributions emerging in dry supersaturated H2SO4 vapor homogeneously produced by rapid oxidation of SO2 through stabilized Criegee-Intermediates from 2-butene ozonolysis. We use a sectional method for simulating the particle dynamics. The particle treatment in the model is based on first principles and takes into account the transition from the kinetic to the diffusion-limited regime. It captures the temporal evolution of size distributions at the end of the ozonolysis experiment well, noting a slight underrepresentation of coagulation effects for larger particle sizes. The model correctly predicts the shape and the modes of the experimentally observed particle size distributions. The predicted modes show an extremely high sensitivity to the H2SO4 evaporation rates of the initially formed H2SO4 clusters (dimer to pentamer), which were arbitrarily restricted to decrease exponentially with increasing cluster size. In future, the analysis presented in this work can be extended to allow a direct validation of quantum chemically predicted stabilities of small H2SO4 clusters, which are believed to initiate a significant fraction of atmospheric new particle formation events. We discuss the prospects and possible limitations of the here presented approach.

Energetics and kinetics of primary charge separation in bacterial photosynthesis.

Science.gov (United States)

LeBard, David N; Kapko, Vitaliy; Matyushov, Dmitry V

2008-08-21

We report the results of molecular dynamics (MD) simulations and formal modeling of the free-energy surfaces and reaction rates of primary charge separation in the reaction center of Rhodobacter sphaeroides. Two simulation protocols were used to produce MD trajectories. Standard force-field potentials were employed in the first protocol. In the second protocol, the special pair was made polarizable to reproduce a high polarizability of its photoexcited state observed by Stark spectroscopy. The charge distribution between covalent and charge-transfer states of the special pair was dynamically adjusted during the simulation run. We found from both protocols that the breadth of electrostatic fluctuations of the protein/water environment far exceeds previous estimates, resulting in about 1.6 eV reorganization energy of electron transfer in the first protocol and 2.5 eV in the second protocol. Most of these electrostatic fluctuations become dynamically frozen on the time scale of primary charge separation, resulting in much smaller solvation contributions to the activation barrier. While water dominates solvation thermodynamics on long observation times, protein emerges as the major thermal bath coupled to electron transfer on the picosecond time of the reaction. Marcus parabolas were obtained for the free-energy surfaces of electron transfer by using the first protocol, while a highly asymmetric surface was obtained in the second protocol. A nonergodic formulation of the diffusion-reaction electron-transfer kinetics has allowed us to reproduce the experimental results for both the temperature dependence of the rate and the nonexponential decay of the population of the photoexcited special pair.

Photodissociation dynamics of propene at 157.6 nm: Kinetic energy distributions and branching ratios

International Nuclear Information System (INIS)

Lee, S.-H.; Lee, Y.-Y.; Lee, Yuan T.; Yang Xueming

2003-01-01

Photodissociation dynamics of propene at 157.6 nm has been investigated in a molecular beam apparatus using the photofragment translational spectroscopic technique combined with the vacuum ultraviolet ionization method. Eleven photofragments have been successfully detected and ascribed to eight (five binary and three triple) dissociation channels: namely, C 3 H 5 +H, C 3 H 4 +H+H, C 3 H 4 +H 2 , C 3 H 3 +H 2 +H, C 2 H 4 +CH 2 , C 2 H 3 +CH 3 , C 2 H 2 +CH 4 , and C 2 H 2 +CH 3 +H. Their branching ratios have been determined to be 1%, 7%, 2 H 2 +CH 3 +H channel. In addition, the averaged kinetic energy releases and the fractions in translational energy have also been determined from the measured kinetic energy distributions. For the binary dissociation channels, the fractions in translational energy are less than 18% except the C 3 H 5 +H channel, whereas they are more than 42% for the triple dissociation channels. An intriguing finding indicates that the C 2 H 4 +CH 2 channel has a nearly identical kinetic energy distribution and a similar branching ratio to the C 2 H 3 +CH 3 channel, although the former undergoes a three-center elimination process different from the C-C bond rupture occurring in the latter

Modelling of novel light sources based on asymmetric heterostructures

International Nuclear Information System (INIS)

Afonenko, A.A.; Kononenko, V.K.; Manak, I.S.

1995-01-01

For asymmetric quantum-well heterojunction laser sources, processes of carrier injection into quantum wells are considered. In contrast to ordinary quantum-well light sources, active layers in the novel nanocrystalline systems have different thickness and/or compositions. In addition, wide-band gap barrier layers separating the quantum wells may have a linear or parabolic energy potential profile. For various kinds of the structures, mathematical simulation of dynamic response has been carried out. (author). 8 refs, 5 figs

Data supporting beta-amyloid dimer structural transitions and protein–lipid interactions on asymmetric lipid bilayer surfaces using MD simulations on experimentally derived NMR protein structures

Directory of Open Access Journals (Sweden)

Sara Y. Cheng

2016-06-01

Full Text Available This data article supports the research article entitled “Maximally Asymmetric Transbilayer Distribution of Anionic Lipids Alters the Structure and interaction with Lipids of an Amyloidogenic Protein Dimer Bound to the Membrane Surface” [1]. We describe supporting data on the binding kinetics, time evolution of secondary structure, and residue-contact maps of a surface-absorbed beta-amyloid dimer protein on different membrane surfaces. We further demonstrate the sorting of annular and non-annular regions of the protein/lipid bilayer simulation systems, and the correlation of lipid-number mismatch and surface area per lipid mismatch of asymmetric lipid membranes.

Nanotribology of Symmetric and Asymmetric Liquid Lubricants

Directory of Open Access Journals (Sweden)

Shinji Yamada

2010-03-01

Full Text Available When liquid molecules are confined in a narrow gap between smooth surfaces, their dynamic properties are completely different from those of the bulk. The molecular motions are highly restricted and the system exhibits solid-like responses when sheared slowly. This solidification behavior is very dependent on the molecular geometry (shape of liquids because the solidification is induced by the packing of molecules into ordered structures in confinement. This paper reviews the measurements of confined structures and friction of symmetric and asymmetric liquid lubricants using the surface forces apparatus. The results show subtle and complex friction mechanisms at the molecular scale.

Asymmetric intergroup bullying: The enactment and maintenance of societal inequality at work.

Science.gov (United States)

Soylu, Soydan; Sheehy-Skeffington, Jennifer

2015-07-01

What does inequality mean for dysfunctional organizational behaviours, such as workplace bullying? This article argues that workplace bullying can be understood as a manifestation of intergroup dynamics originating beyond the organization. We introduce the construct of asymmetric intergroup bullying: the disproportionate mistreatment of members of low status groups, with the intended effect of enhancing the subordination of that group in society at large. Analysis of data from 38 interviews with public and private sector workers in Turkey depicts a pattern of asymmetric intergroup bullying, undertaken to achieve organizational and broader sociopolitical goals. Respondents reported bullying acts used to get rid of unwanted personnel, with the goal of avoiding severance pay, or of removing supporters of the former government from positions of political and economic influence. Bullying was also described as working towards the dominance of the sociocultural worldview of one political group over another. We discuss asymmetric intergroup bullying as one mechanism through which acute intergroup hierarchy in the broader society corrupts management practice and employee interactions, in turn exacerbating economic inequality along group lines.

Molecular Programs Underlying Asymmetric Stem Cell Division and Their Disruption in Malignancy.

Science.gov (United States)

Mukherjee, Subhas; Brat, Daniel J

2017-01-01

Asymmetric division of stem cells is a highly conserved and tightly regulated process by which a single stem cell produces two unequal daughter cells. One retains its stem cell identity while the other becomes specialized through a differentiation program and loses stem cell properties. Coordinating these events requires control over numerous intra- and extracellular biological processes and signaling networks. In the initial stages, critical events include the compartmentalization of fate determining proteins within the mother cell and their subsequent passage to the appropriate daughter cell in order to direct their destiny. Disturbance of these events results in an altered dynamic of self-renewing and differentiation within the cell population, which is highly relevant to the growth and progression of cancer. Other critical events include proper asymmetric spindle assembly, extrinsic regulation through micro-environmental cues, and non-canonical signaling networks that impact cell division and fate determination. In this review, we discuss mechanisms that maintain the delicate balance of asymmetric cell division in normal tissues and describe the current understanding how some of these mechanisms are deregulated in cancer.

Asymmetric intergroup bullying: The enactment and maintenance of societal inequality at work

Science.gov (United States)

Soylu, Soydan; Sheehy-Skeffington, Jennifer

2015-01-01

What does inequality mean for dysfunctional organizational behaviours, such as workplace bullying? This article argues that workplace bullying can be understood as a manifestation of intergroup dynamics originating beyond the organization. We introduce the construct of asymmetric intergroup bullying: the disproportionate mistreatment of members of low status groups, with the intended effect of enhancing the subordination of that group in society at large. Analysis of data from 38 interviews with public and private sector workers in Turkey depicts a pattern of asymmetric intergroup bullying, undertaken to achieve organizational and broader sociopolitical goals. Respondents reported bullying acts used to get rid of unwanted personnel, with the goal of avoiding severance pay, or of removing supporters of the former government from positions of political and economic influence. Bullying was also described as working towards the dominance of the sociocultural worldview of one political group over another. We discuss asymmetric intergroup bullying as one mechanism through which acute intergroup hierarchy in the broader society corrupts management practice and employee interactions, in turn exacerbating economic inequality along group lines. PMID:26819482

Kinetic Modifications to MHD Phenomena in Toroidal Plasmas

International Nuclear Information System (INIS)

Cheng, C.Z.; Gorelenkov, N.N.; Kramer, G.J.; Fredrickson, E.

2004-01-01

Particle kinetic effects involving small spatial and fast temporal scales can strongly affect MHD phenomena and the long time behavior of plasmas. In particular, kinetic effects such as finite ion gyroradii, trapped particle dynamics, and wave-particle resonances have been shown to greatly modify the stability of MHD modes. Here, the kinetic effects of trapped electron dynamics and finite ion gyroradii are shown to have a large stabilizing effect on kinetic ballooning modes in low aspect ratio toroidal plasmas such as NSTX [National Spherical Torus Experiment]. We also present the analysis of Toroidicity-induced Alfven Eigenmodes (TAEs) destabilized by fast neutral-beam injected ions in NSTX experiments and TAE stability in ITER due to alpha-particles and MeV negatively charged neutral beam injected ions

High-Resolution Tracking Asymmetric Lithium Insertion and Extraction and Local Structure Ordering in SnS2.

Science.gov (United States)

Gao, Peng; Wang, Liping; Zhang, Yu-Yang; Huang, Yuan; Liao, Lei; Sutter, Peter; Liu, Kaihui; Yu, Dapeng; Wang, En-Ge

2016-09-14

In the rechargeable lithium ion batteries, the rate capability and energy efficiency are largely governed by the lithium ion transport dynamics and phase transition pathways in electrodes. Real-time and atomic-scale tracking of fully reversible lithium insertion and extraction processes in electrodes, which would ultimately lead to mechanistic understanding of how the electrodes function and why they fail, is highly desirable but very challenging. Here, we track lithium insertion and extraction in the van der Waals interactions dominated SnS2 by in situ high-resolution TEM method. We find that the lithium insertion occurs via a fast two-phase reaction to form expanded and defective LiSnS2, while the lithium extraction initially involves heterogeneous nucleation of intermediate superstructure Li0.5SnS2 domains with a 1-4 nm size. Density functional theory calculations indicate that the Li0.5SnS2 is kinetically favored and structurally stable. The asymmetric reaction pathways may supply enlightening insights into the mechanistic understanding of the underlying electrochemistry in the layered electrode materials and also suggest possible alternatives to the accepted explanation of the origins of voltage hysteresis in the intercalation electrode materials.

Glutathione reductase: solvent equilibrium and kinetic isotope effects

International Nuclear Information System (INIS)

Wong, K.K.; Vanoni, M.A.; Blanchard, J.S.

1988-01-01

Glutathione reductase catalyzes the NADPH-dependent reduction of oxidized glutathione (GSSG). The kinetic mechanism is ping-pong, and we have investigated the rate-limiting nature of proton-transfer steps in the reactions catalyzed by the spinach, yeast, and human erythrocyte glutathione reductases using a combination of alternate substrate and solvent kinetic isotope effects. With NADPH or GSSG as the variable substrate, at a fixed, saturating concentration of the other substrate, solvent kinetic isotope effects were observed on V but not V/K. Plots of Vm vs mole fraction of D 2 O (proton inventories) were linear in both cases for the yeast, spinach, and human erythrocyte enzymes. When solvent kinetic isotope effect studies were performed with DTNB instead of GSSG as an alternate substrate, a solvent kinetic isotope effect of 1.0 was observed. Solvent kinetic isotope effect measurements were also performed on the asymmetric disulfides GSSNB and GSSNP by using human erythrocyte glutathione reductase. The Km values for GSSNB and GSSNP were 70 microM and 13 microM, respectively, and V values were 62 and 57% of the one calculated for GSSG, respectively. Both of these substrates yield solvent kinetic isotope effects greater than 1.0 on both V and V/K and linear proton inventories, indicating that a single proton-transfer step is still rate limiting. These data are discussed in relationship to the chemical mechanism of GSSG reduction and the identity of the proton-transfer step whose rate is sensitive to solvent isotopic composition. Finally, the solvent equilibrium isotope effect measured with yeast glutathione reductase is 4.98, which allows us to calculate a fractionation factor for the thiol moiety of GSH of 0.456

Dynamic phase transition in the kinetic spin-1 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

International Nuclear Information System (INIS)

Keskin, M.; Canko, O.; Temizer, U.

2007-01-01

Within a mean-field approach, the stationary states of the kinetic spin-1 Blume-Capel model in the presence of a time-dependent oscillating external magnetic field is studied. The Glauber-type stochastic dynamics is used to describe the time evolution of the system and obtain the mean-field dynamic equation of motion. The dynamic phase-transition points are calculated and phase diagrams are presented in the temperature and crystal-field interaction plane. According to the values of the magnetic field amplitude, three fundamental types of phase diagrams are found: One exhibits a dynamic tricritical point, while the other two exhibit a dynamic zero-temperature critical point

Kinetic evidence of an apparent negative activation enthalpy in an organocatalytic process

KAUST Repository

Han, Xiao

2013-08-30

A combined kinetic and computational study on our tryptophan-based bifunctional thiourea catalyzed asymmetric Mannich reactions reveals an apparent negative activation enthalpy. The formation of the pre-transition state complex has been unambiguously confirmed and these observations provide an experimental support for the formation of multiple hydrogen bonding network between the substrates and the catalyst. Such interactions allow the creation of a binding cavity, a key factor to install high enantioselectivity.

Kinetic evidence of an apparent negative activation enthalpy in an organocatalytic process

KAUST Repository

Han, Xiao; Lee, Richmond; Chen, Tao; Luo, Jie; Lu, Yixin; Huang, Kuo-Wei

2013-01-01

A combined kinetic and computational study on our tryptophan-based bifunctional thiourea catalyzed asymmetric Mannich reactions reveals an apparent negative activation enthalpy. The formation of the pre-transition state complex has been unambiguously confirmed and these observations provide an experimental support for the formation of multiple hydrogen bonding network between the substrates and the catalyst. Such interactions allow the creation of a binding cavity, a key factor to install high enantioselectivity.

Mucuna pruriens in Parkinson Disease: A Kinetic-Dynamic Comparison With Levodopa Standard Formulations.

Science.gov (United States)

Contin, Manuela; Lopane, Giovanna; Passini, Andrea; Poli, Ferruccio; Iannello, Carmelina; Guarino, Maria

2015-01-01

We compared levodopa (LD) kinetic-dynamic profile of a dose of LD/aromatic amino acid decarboxylase peripheral inhibitors versus a nominally equivalent dose of a commercial Mucuna pruriens (Mucuna) seeds extract in 2 patients with Parkinson disease chronically taking LD standard combined with self-prescribed Mucuna. Patients were challenged with a fasting morning dose of 100 mg LD/25 mg carbidopa (patient 1) or benserazide (patient 2) versus 100 mg LD from Mucuna capsules in 2 different sessions, after a 12-hour standard LD formulations' washout. They underwent kinetic-dynamic LD monitoring based on LD dose intake and simultaneous serial assessments of plasma drug concentrations and motor test performances. Quantitative analysis of LD in Mucuna capsules was also performed. Levodopa bioavailability was markedly lower after Mucuna administration compared with LD standard formulations: in patient 1, peak plasma LD concentration (Cmax) decreased from 2.0 to 1.0 mg/L and the area under the plasma concentration time curve from 137 to 33.6 mg/L per minute; in patient 2, Cmax was 0.7 mg/L after LD/benserazide and nearly undetectable after Mucuna. In patient 1, impaired LD bioavailability from Mucuna resulted in reduced duration and overall extent of drug response compared with LD/carbidopa. In patient 2, no significant subacute LD motor response was observed in either condition. Quantitative analysis of Mucuna formulation confirmed the 100 mg LD content for the utilized capsules. Our results show an impaired LD bioavailability from Mucuna preparation, as expected by the lacking aromatic amino acid decarboxylase inhibitors coadministration, which might explain the suggested lower dyskinetic potential of Mucuna compared with standard LD formulations.

Machine learning-based kinetic modeling: a robust and reproducible solution for quantitative analysis of dynamic PET data.

Science.gov (United States)

Pan, Leyun; Cheng, Caixia; Haberkorn, Uwe; Dimitrakopoulou-Strauss, Antonia

2017-05-07

A variety of compartment models are used for the quantitative analysis of dynamic positron emission tomography (PET) data. Traditionally, these models use an iterative fitting (IF) method to find the least squares between the measured and calculated values over time, which may encounter some problems such as the overfitting of model parameters and a lack of reproducibility, especially when handling noisy data or error data. In this paper, a machine learning (ML) based kinetic modeling method is introduced, which can fully utilize a historical reference database to build a moderate kinetic model directly dealing with noisy data but not trying to smooth the noise in the image. Also, due to the database, the presented method is capable of automatically adjusting the models using a multi-thread grid parameter searching technique. Furthermore, a candidate competition concept is proposed to combine the advantages of the ML and IF modeling methods, which could find a balance between fitting to historical data and to the unseen target curve. The machine learning based method provides a robust and reproducible solution that is user-independent for VOI-based and pixel-wise quantitative analysis of dynamic PET data.

Machine learning-based kinetic modeling: a robust and reproducible solution for quantitative analysis of dynamic PET data

Science.gov (United States)

Pan, Leyun; Cheng, Caixia; Haberkorn, Uwe; Dimitrakopoulou-Strauss, Antonia

2017-05-01

A variety of compartment models are used for the quantitative analysis of dynamic positron emission tomography (PET) data. Traditionally, these models use an iterative fitting (IF) method to find the least squares between the measured and calculated values over time, which may encounter some problems such as the overfitting of model parameters and a lack of reproducibility, especially when handling noisy data or error data. In this paper, a machine learning (ML) based kinetic modeling method is introduced, which can fully utilize a historical reference database to build a moderate kinetic model directly dealing with noisy data but not trying to smooth the noise in the image. Also, due to the database, the presented method is capable of automatically adjusting the models using a multi-thread grid parameter searching technique. Furthermore, a candidate competition concept is proposed to combine the advantages of the ML and IF modeling methods, which could find a balance between fitting to historical data and to the unseen target curve. The machine learning based method provides a robust and reproducible solution that is user-independent for VOI-based and pixel-wise quantitative analysis of dynamic PET data.

Asymmetric Evolutionary Games

Science.gov (United States)

McAvoy, Alex; Hauert, Christoph

2015-01-01

Evolutionary game theory is a powerful framework for studying evolution in populations of interacting individuals. A common assumption in evolutionary game theory is that interactions are symmetric, which means that the players are distinguished by only their strategies. In nature, however, the microscopic interactions between players are nearly always asymmetric due to environmental effects, differing baseline characteristics, and other possible sources of heterogeneity. To model these phenomena, we introduce into evolutionary game theory two broad classes of asymmetric interactions: ecological and genotypic. Ecological asymmetry results from variation in the environments of the players, while genotypic asymmetry is a consequence of the players having differing baseline genotypes. We develop a theory of these forms of asymmetry for games in structured populations and use the classical social dilemmas, the Prisoner’s Dilemma and the Snowdrift Game, for illustrations. Interestingly, asymmetric games reveal essential differences between models of genetic evolution based on reproduction and models of cultural evolution based on imitation that are not apparent in symmetric games. PMID:26308326

Asymmetrical field emitter

Science.gov (United States)

Fleming, J.G.; Smith, B.K.

1995-10-10

A method is disclosed for providing a field emitter with an asymmetrical emitter structure having a very sharp tip in close proximity to its gate. One preferred embodiment of the present invention includes an asymmetrical emitter and a gate. The emitter having a tip and a side is coupled to a substrate. The gate is connected to a step in the substrate. The step has a top surface and a side wall that is substantially parallel to the side of the emitter. The tip of the emitter is in close proximity to the gate. The emitter is at an emitter potential, and the gate is at a gate potential such that with the two potentials at appropriate values, electrons are emitted from the emitter. In one embodiment, the gate is separated from the emitter by an oxide layer, and the emitter is etched anisotropically to form its tip and its asymmetrical structure. 17 figs.

Asymmetric synthesis of a potent, aminopiperidine-fused imidazopyridine dipeptidyl peptidase IV inhibitor.

Science.gov (United States)

Xu, Feng; Corley, Edward; Zacuto, Michael; Conlon, David A; Pipik, Brenda; Humphrey, Guy; Murry, Jerry; Tschaen, David

2010-03-05

A practical asymmetric synthesis of a novel aminopiperidine-fused imidazopyridine dipeptidyl peptidase IV (DPP-4) inhibitor 1 has been developed. Application of a unique three-component cascade coupling with chiral nitro diester 7, which is easily accessed via a highly enantioselective Michael addition of dimethyl malonate to a nitrostyrene, allows for the assembly of the functionalized piperidinone skeleton in one pot. Through a base-catalyzed, dynamic crystallization-driven process, the cis-piperidionone 16a is epimerized to the desired trans isomer 16b, which is directly crystallized from the crude reaction stream in high yield and purity. Isomerization of the allylamide 16b in the presence of RhCl(3) is achieved without any epimerization of the acid/base labile stereogenic center adjacent to the nitro group on the piperidinone ring, while the undesired enamine intermediate is consumed to <0.5% by utilizing a trace amount of HCl generated from RhCl(3). The amino lactam 4, obtained through hydrogenation and hydrolysis, is isolated as its crystalline pTSA salt from the reaction solution directly, as such intramolecular transamidation has been dramatically suppressed via kinetic control. Finally, a Cu(I) catalyzed coupling-cyclization allows for the formation of the tricyclic structure of the potent DPP-4 inhibitor 1. The synthesis, which is suitable for large scale preparation, is accomplished in 23% overall yield.

Tracer kinetic model-driven registration for dynamic contrast-enhanced MRI time-series data.

Science.gov (United States)

Buonaccorsi, Giovanni A; O'Connor, James P B; Caunce, Angela; Roberts, Caleb; Cheung, Sue; Watson, Yvonne; Davies, Karen; Hope, Lynn; Jackson, Alan; Jayson, Gordon C; Parker, Geoffrey J M

2007-11-01

Dynamic contrast-enhanced MRI (DCE-MRI) time series data are subject to unavoidable physiological motion during acquisition (e.g., due to breathing) and this motion causes significant errors when fitting tracer kinetic models to the data, particularly with voxel-by-voxel fitting approaches. Motion correction is problematic, as contrast enhancement introduces new features into postcontrast images and conventional registration similarity measures cannot fully account for the increased image information content. A methodology is presented for tracer kinetic model-driven registration that addresses these problems by explicitly including a model of contrast enhancement in the registration process. The iterative registration procedure is focused on a tumor volume of interest (VOI), employing a three-dimensional (3D) translational transformation that follows only tumor motion. The implementation accurately removes motion corruption in a DCE-MRI software phantom and it is able to reduce model fitting errors and improve localization in 3D parameter maps in patient data sets that were selected for significant motion problems. Sufficient improvement was observed in the modeling results to salvage clinical trial DCE-MRI data sets that would otherwise have to be rejected due to motion corruption. Copyright 2007 Wiley-Liss, Inc.

Magma chamber interaction giving rise to asymmetric oscillations

Science.gov (United States)

Walwer, D.; Ghil, M.; Calais, E.

2017-12-01

Geodetic time series at four volcanoes (Okmok, Akutan, Shishaldin, and Réunion) are processed using Multi-channel Singular Spectrum Analysis (M-SSA) and reveal sawtooth-shaped oscillations ; the latter are characterized by short intervals of fast inflations followed by longer intervals of slower deflations. At Okmok and Akutan, the oscillations are first damped and then accentuated. At Okmok, the increase in amplitude of the oscillations is followed by an eruption. We first show that the dynamics of these four volcanoes bears similarities with that of a simple nonlinear, dissipative oscillator, indicating that the inflation-deflation episodes are relaxation oscillations. These observations imply that ab initio dynamical models of magma chambers should possess an asymmetric oscillatory regime. Next, based on the work of Whitehead and Helfrich [1991], we show that a model of two magma chambers — connected by a cylindrical conduit in which the magma viscosity depends on temperature — gives rise to asymmetric overpressure oscillations in the magma reservoirs. These oscillations lead to surface deformations that are consistent with those observed at the four volcanoes in this study. This relaxation oscillation regime occurs only when the vertical temperature gradient in the host rock between the two magma chambers is large enough and when the magma flux entering the volcanic system is sufficiently high. The magma being supplied by a deeper source region, the input flux depends on the pressure difference between the source and the deepest reservoir. When this difference is not sufficiently high, the magma flux exponentially decreases, leading to damped oscillations as observed at Akutan and Okmok. The combination of observational and modeling results clearly supports the role of relaxation oscillations in the dynamics of volcanic systems.

North-South Climate Change Negotiations. A Sequential Game with Asymmetric Information

International Nuclear Information System (INIS)

Caparros, A.; Tazdait, T.; Pereau, J.C.

2003-01-01

This article determines the conditions under which the Southern countries should act together, or separately, while negotiating with the North about climate change policy and about the conditions for future Southern engagement. The paper models the international negotiations with complete and with asymmetric information in a dynamic framework. Results show that, depending on their characteristics, the different players can obtain benefits delaying the moment of the agreement

Multi-step cure kinetic model of ultra-thin glass fiber epoxy prepreg exhibiting both autocatalytic and diffusion-controlled regimes under isothermal and dynamic-heating conditions

Science.gov (United States)

Kim, Ye Chan; Min, Hyunsung; Hong, Sungyong; Wang, Mei; Sun, Hanna; Park, In-Kyung; Choi, Hyouk Ryeol; Koo, Ja Choon; Moon, Hyungpil; Kim, Kwang J.; Suhr, Jonghwan; Nam, Jae-Do

2017-08-01

As packaging technologies are demanded that reduce the assembly area of substrate, thin composite laminate substrates require the utmost high performance in such material properties as the coefficient of thermal expansion (CTE), and stiffness. Accordingly, thermosetting resin systems, which consist of multiple fillers, monomers and/or catalysts in thermoset-based glass fiber prepregs, are extremely complicated and closely associated with rheological properties, which depend on the temperature cycles for cure. For the process control of these complex systems, it is usually required to obtain a reliable kinetic model that could be used for the complex thermal cycles, which usually includes both the isothermal and dynamic-heating segments. In this study, an ultra-thin prepreg with highly loaded silica beads and glass fibers in the epoxy/amine resin system was investigated as a model system by isothermal/dynamic heating experiments. The maximum degree of cure was obtained as a function of temperature. The curing kinetics of the model prepreg system exhibited a multi-step reaction and a limited conversion as a function of isothermal curing temperatures, which are often observed in epoxy cure system because of the rate-determining diffusion of polymer chain growth. The modified kinetic equation accurately described the isothermal behavior and the beginning of the dynamic-heating behavior by integrating the obtained maximum degree of cure into the kinetic model development.

Symmetrical kinematics does not imply symmetrical kinetics in people with transtibial amputation using cycling model.

Science.gov (United States)

Childers, W Lee; Kogler, Géza F

2014-01-01

People with amputation move asymmetrically with regard to kinematics (joint angles) and kinetics (joint forces and moments). Clinicians have traditionally sought to minimize kinematic asymmetries, assuming kinetic asymmetries would also be minimized. A cycling model evaluated locomotor asymmetries. Eight individuals with unilateral transtibial amputation pedaled with 172 mm-length crank arms on both sides (control condition) and with the crank arm length shortened to 162 mm on the amputated side (CRANK condition). Pedaling kinetics and limb kinematics were recorded. Joint kinetics, joint angles (mean and range of motion [ROM]), and pedaling asymmetries were calculated from force pedals and with a motion capture system. A one-way analysis of variance with tukey post hoc compared kinetics and kinematics across limbs. Statistical significance was set to p Pedaling asymmetries did not differ and were 23.0% +/= 9.8% and 23.2% +/= 12% for the control and CRANK conditions, respectively. Our results suggest that minimizing kinematic asymmetries does not relate to kinetic asymmetries as clinically assumed. We propose that future research should concentrate on defining acceptable asymmetry.

Cinchona alkaloids in asymmetric organocatalysis

NARCIS (Netherlands)

Marcelli, T.; Hiemstra, H.

2010-01-01

This article reviews the applications of cinchona alkaloids as asymmetric catalysts. In the last few years, characterized by the resurgence of interest in asymmetric organocatalysis, cinchona derivatives have been shown to catalyze an outstanding array of chemical reactions, often with remarkable

Quantum kinetic theory

CERN Document Server

Bonitz, Michael

2016-01-01

This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.

Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics

Energy Technology Data Exchange (ETDEWEB)

Yu Lin; Xueyi Wang; Liu Chen; Zhihong Lin

2009-08-11

Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence

Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics

International Nuclear Information System (INIS)

Lin, Yu; Wang, Xueyi; Chen, Liu; Lin, Zhihong

2009-01-01

Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence test

Development of dynamic kinetic resolution on large scale for (±-1-phenylethylamine

Directory of Open Access Journals (Sweden)

Lisa K. Thalén

2010-09-01

Full Text Available Candida antarctica lipase B (CALB and racemization catalyst 4 were combined in the dynamic kinetic resolution (DKR of (±-1-phenylethylamine (1. Several reaction parameters have been investigated to modify the method for application on multigram scale. A comparison of isopropyl acetate and alkyl methoxyacetates as acyl donors was carried out. It was found that lower catalyst loadings could be used to obtain (R-2-methoxy-N-(1-phenylethylacetamide (3 in good yield and high ee when alkyl methoxyacetates were used as acyl donors compared to when isopropyl acetate was used as the acyl donor. The catalyst loading could be decreased to 1.25 mol % Ru-catalyst 4 and 10 mg CALB per mmol 1 when alkyl methoxyacetates were used as the acyl donor.

Development of dynamic kinetic resolution on large scale for (±)-1-phenylethylamine.

Science.gov (United States)

Thalén, Lisa K; Bäckvall, Jan-E

2010-09-13

Candida antarctica lipase B (CALB) and racemization catalyst 4 were combined in the dynamic kinetic resolution (DKR) of (±)-1-phenylethylamine (1). Several reaction parameters have been investigated to modify the method for application on multigram scale. A comparison of isopropyl acetate and alkyl methoxyacetates as acyl donors was carried out. It was found that lower catalyst loadings could be used to obtain (R)-2-methoxy-N-(1-phenylethyl)acetamide (3) in good yield and high ee when alkyl methoxyacetates were used as acyl donors compared to when isopropyl acetate was used as the acyl donor. The catalyst loading could be decreased to 1.25 mol % Ru-catalyst 4 and 10 mg CALB per mmol 1 when alkyl methoxyacetates were used as the acyl donor.

Alternative Asymmetric Stochastic Volatility Models

NARCIS (Netherlands)

M. Asai (Manabu); M.J. McAleer (Michael)

2010-01-01

textabstractThe stochastic volatility model usually incorporates asymmetric effects by introducing the negative correlation between the innovations in returns and volatility. In this paper, we propose a new asymmetric stochastic volatility model, based on the leverage and size effects. The model is

Asymmetric ion trap

Science.gov (United States)

Barlow, Stephan E.; Alexander, Michael L.; Follansbee, James C.

1997-01-01

An ion trap having two end cap electrodes disposed asymmetrically about a center of a ring electrode. The inner surface of the end cap electrodes are conformed to an asymmetric pair of equipotential lines of the harmonic formed by the application of voltages to the electrodes. The asymmetry of the end cap electrodes allows ejection of charged species through the closer of the two electrodes which in turn allows for simultaneously detecting anions and cations expelled from the ion trap through the use of two detectors charged with opposite polarity.

Periodicity in tumor vasculature targeting kinetics of ligand-functionalized nanoparticles studied by dynamic contrast enhanced magnetic resonance imaging and intravital microscopy

DEFF Research Database (Denmark)

Hak, Sjoerd; Cebulla, Jana; Huuse, Else Marie

2014-01-01

In the past two decades advances in the development of targeted nanoparticles have facilitated their application as molecular imaging agents and targeted drug delivery vehicles. Nanoparticle-enhanced molecular imaging of the angiogenic tumor vasculature has been of particular interest. Not only...... because angiogenesis plays an important role in various pathologies, but also since endothelial cell surface receptors are directly accessible for relatively large circulating nanoparticles. Typically, nanoparticle targeting towards these receptors is studied by analyzing the contrast distribution...... kinetics. These kinetics will not only depend on nanoparticle characteristics, but also on receptor binding and recycling. In this study, we monitored the in vivo targeting kinetics of αvβ3-integrin specific nanoparticles with intravital microscopy and dynamic contrast enhanced magnetic resonance imaging...

Worst Asymmetrical Short-Circuit Current

DEFF Research Database (Denmark)

Arana Aristi, Iván; Holmstrøm, O; Grastrup, L

2010-01-01

In a typical power plant, the production scenario and the short-circuit time were found for the worst asymmetrical short-circuit current. Then, a sensitivity analysis on the missing generator values was realized in order to minimize the uncertainty of the results. Afterward the worst asymmetrical...

A three-state kinetic agent-based model to analyze tax evasion dynamics

Science.gov (United States)

Crokidakis, Nuno

2014-11-01

In this work we study the problem of tax evasion on a fully-connected population. For this purpose, we consider that the agents may be in three different states, namely honest tax payers, tax evaders and undecided, that are individuals in an intermediate class among honests and evaders. Every individual can change his/her state following a kinetic exchange opinion dynamics, where the agents interact by pairs with competitive negative (with probability q) and positive (with probability 1-q) couplings, representing agreement/disagreement between pairs of agents. In addition, we consider the punishment rules of the Zaklan econophysics model, for which there is a probability pa of an audit each agent is subject to in every period and a length of time k detected tax evaders remain honest. Our results suggest that below the critical point qc=1/4 of the opinion dynamics the compliance is high, and the punishment rules have a small effect in the population. On the other hand, for q>qc the tax evasion can be considerably reduced by the enforcement mechanism. We also discuss the impact of the presence of the undecided agents in the evolution of the system.

Analysis and synthesis of Cohen-Grossberg networks with asymmetric connections

Science.gov (United States)

Zheng, Pengsheng; Zhang, Jianxiong; Tang, Wansheng

2011-09-01

In this paper, the dynamic behaviours of the asymmetric Cohen-Grossberg neural networks are studied, and some sufficient conditions for the local and global stability of the networks are proposed. Based on the stability results and recently developed system designing method, the networks are constructed for storing and retrieving binary and non-binary patterns, and the network performances are analysed by numerical simulations. It is shown that the designed networks can act as information retrieval systems.

Recombination kinetics of photogenerated electrons in InGaAs/InP quantum wells

Science.gov (United States)

Tito, M. A.; Pusep, Yu. A.; Gold, A.; Teodoro, M. D.; Marques, G. E.; LaPierre, R. R.

2016-03-01

The electron transport and recombination processes of photoexcited electron-hole pairs were studied in InGaAs/InP single quantum wells. Comprehensive transport data analysis reveals a asymmetric shape of the quantum well potential where the electron mobility was found to be dominated by interface-roughness scattering. The low-temperature time-resolved photoluminescence was employed to investigate recombination kinetics of photogenerated electrons. Remarkable modification of Auger recombination was observed with variation of the electron mobility. In high mobility quantum wells, the increasing pump power resulted in a new and unexpected phenomenon: a considerably enhanced Auger non-radiative recombination time. We propose that the distribution of the photoexcited electrons over different conduction band valleys might account for this effect. In low mobility quantum wells, disorder-induced relaxation of the momentum conservation rule causes inter-valley transitions to be insignificant; as a consequence, the non-radiative recombination time is reduced with the increase in pump power. Thus, interface-roughness scattering was found responsible for both transport properties and dynamic optical response in InGaAs/InP quantum wells.

Effect of dynamic and static friction on an asymmetric granular piston.

Science.gov (United States)

Talbot, Julian; Viot, Pascal

2012-02-01

We investigate the influence of dry friction on an asymmetric, granular piston of mass M, composed of two materials, undergoing inelastic collisions with bath particles of mass m. Numerical simulations of the Boltzmann-Lorentz equation reveal the existence of two scaling regimes depending on the friction strength. In the large friction limit, we introduce an exact model giving the asymptotic behavior of the Boltzmann-Lorentz equation. For small friction and for large mass ratio M/m, we derive a Fokker-Planck equation for which the exact solution is also obtained. Static friction attenuates the motor effect and results in a discontinuous velocity distribution. © 2012 American Physical Society

Inclined asymmetric librations in exterior resonances

Science.gov (United States)

Voyatzis, G.; Tsiganis, K.; Antoniadou, K. I.

2018-04-01

Librational motion in Celestial Mechanics is generally associated with the existence of stable resonant configurations and signified by the existence of stable periodic solutions and oscillation of critical (resonant) angles. When such an oscillation takes place around a value different than 0 or π , the libration is called asymmetric. In the context of the planar circular restricted three-body problem, asymmetric librations have been identified for the exterior mean motion resonances (MMRs) 1:2, 1:3, etc., as well as for co-orbital motion (1:1). In exterior MMRs the massless body is the outer one. In this paper, we study asymmetric librations in the three-dimensional space. We employ the computational approach of Markellos (Mon Not R Astron Soc 184:273-281, https://doi.org/10.1093/mnras/184.2.273, 1978) and compute families of asymmetric periodic orbits and their stability. Stable asymmetric periodic orbits are surrounded in phase space by domains of initial conditions which correspond to stable evolution and librating resonant angles. Our computations were focused on the spatial circular restricted three-body model of the Sun-Neptune-TNO system (TNO = trans-Neptunian object). We compare our results with numerical integrations of observed TNOs, which reveal that some of them perform 1:2 resonant, inclined asymmetric librations. For the stable 1:2 TNO librators, we find that their libration seems to be related to the vertically stable planar asymmetric orbits of our model, rather than the three-dimensional ones found in the present study.

Adsorption kinetics and dynamics of small organic molecules on a silica wafer: Butane, pentane, nonane, thiophene, and methanol adsorption on SiO2/Si(1 1 1)

International Nuclear Information System (INIS)

Funk, S.; Goering, J.; Burghaus, U.

2008-01-01

The adsorption kinetics (by thermal desorption spectroscopy) and adsorption dynamics (by molecular beam scattering) have been determined for a number of alkanes, methanol, thiophene, and water on a silica wafer-SiO 2 /Si(1 1 1). No indications for bond activation were present, i.e., all probe molecules adsorb molecularly obeying 1st order kinetics. The coverage-dependent heat of adsorption has been determined accordingly. The adsorption dynamics are precursor-mediated with Kisliuk-like shapes of the adsorption probabilities at low impact energies and adsorbate-assisted adsorption at large impact energies

Validation of the dynamic structural integrity of a nuclear piping component using static inelastic modelling technique

International Nuclear Information System (INIS)

Leonard, J.W.

1975-01-01

This work is concerned with the evaluation of a quasi-static method as applied to a swing check valve designed to provide emergency shut-off capability subsequent to a postulated break in a steam line. The impact analysis of swinging disk upon the valve seat is an asymmetric problem in dynamic elastoplasticity with potentially large displacements and strains resulting from the impact. To perform a quasi-static analysis for this component the disk and seat region of the valve was isolated from the piping system by special boundary elements and an elastic-plastic finite element model was generated assuming axisymmetric solid ring elements. An equivalent static axisymmetric incremental load system was used to approximate the nonsymmetric initial velocity of impact. Subsequent to the nonlinear incremental finite element analysis by a standard computer software package (MARC-CDC program), a special post-processing program was employed to calculate the incremental sum of external work due to the defined load system. Equating this external work to the initial kinetic energy of impact, parametric curves for displacements, stresses, and strains were obtained as functions of various levels of kinetic energy imparted to the valve at closure. To verify the conservative nature of the assumptions made in the quasi-static model, a comparison was made with a time-dependent, nonlinear, axisymmetric, elastic-plastic finite difference simulation. Another standard computer software package (PISCES-2DL) was used for this dynamic simulation. For a check-point value of initial impact kinetic energy, correlation between the quasi-static finite element and dynamic finite difference analyses is presented. Validations of the assumptions made in the quasi-static analysis and of the results obtained are discussed in detail

Enhancement of nuclear reaction rates in asymmetric binary ionic mixtures

Energy Technology Data Exchange (ETDEWEB)

Clerouin, J.; Arnault, P.; Desbiens, N. [CEA, DAM, DIF, Arpajon (France); White, A.; Ticknor, C.; Kress, J.D.; Collins, L.A. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM (United States)

2017-11-15

Using orbital-free molecular dynamics simulations we study the structure and dynamics of increasingly asymmetric mixtures such as hydrogen-carbon, hydrogen-aluminium, hydrogen-copper, and hydrogen-silver. We show that, whereas the heavy component structure is close to an effective one-component plasma (OCP), the light component appears more structured than the corresponding OCP. This effect is related to the crossover towards a Lorentz-type diffusion triggered by strongly coupled, highly charged heavy ions, and witnessed by the change of temperature scaling laws of diffusion. This over-correlation translates into an enhancement of nuclear reaction rates much higher than its classical OCP counterpart. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Inventories and upstream gasoline price dynamics

NARCIS (Netherlands)

Kuper, Gerard H.

This paper sheds new light on the asymmetric dynamics in upstream U.S. gasoline prices. The model is based on Pindyck's inventory model of commodity price dynamics. We show that asymmetry in gasoline price dynamics is caused by changes in the net marginal convenience yield: higher costs of marketing

Instantaneous Tunneling Flight Time for Wavepacket Transmission through Asymmetric Barriers.

Science.gov (United States)

Petersen, Jakob; Pollak, Eli

2018-04-12

The time it takes a particle to tunnel through the asymmetric Eckart barrier potential is investigated using Gaussian wavepackets, where the barrier serves as a model for the potential along a chemical reaction coordinate. We have previously shown that the, in principle experimentally measurable, tunneling flight time, which determines the time taken by the transmitted particle to traverse the barrier, vanishes for symmetric potentials like the Eckart and square barrier [ Petersen , J. ; Pollak , E. J. Phys. Chem. Lett. 2017 , 9 , 4017 ]. Here we show that the same result is obtained for the asymmetric Eckart barrier potential, and therefore, the zero tunneling flight time seems to be a general result for one-dimensional time-independent potentials. The wavepacket dynamics is simulated using both an exact quantum mechanical method and a classical Wigner prescription. The excellent agreement between the two methods shows that quantum coherences are not important in pure one-dimensional tunneling and reinforces the conclusion that the tunneling flight time vanishes.

Migration and Morphology of Asymmetric Barchans in the Central Hexi Corridor of Northwest China

Directory of Open Access Journals (Sweden)

Zhengcai Zhang

2018-06-01

Full Text Available Crescent-shaped barchan dunes often display an asymmetric shape, with one limb longer than the other. As shown in previous studies, asymmetric bimodal winds constitute one major cause of barchan asymmetry, but the heterogeneous conditions of sand availability or flux, as well as topographic influences, may be also important. Understanding the morphology and dynamics of asymmetric barchans may have an impact in a broad range of areas, particularly as these dunes may serve as a proxy for planetary wind regimes and soil conditions in extraterrestrial environments. However, in addition to the existing theories and numerical models that explain barchan asymmetry, direct measurements of migration rates and morphologic changes of real asymmetric barchans over a time span of several years would be beneficial. Therefore, here we report such measurements, which we have acquired by investigating asymmetric barchans in the Hexi Corridor, northwest of China. We have found that dune interactions and asymmetric influx conditions are the most important causes of barchan asymmetry in this field. Particle size distributions in the Hexi Corridor display strong variations over different parts of the asymmetric barchans, as well as over different dunes, with gravel particles being incorporated from the substrate as the dunes migrate. Our observations have shown that upwind sediment sources are important for dune formation in the Hexi Corridor, and that interdune interactions affect dune shape in different ways, depending on their offset. The asymmetric barchans in the Hexi Corridor are active, with an average migration rate (MR between 8 and 53 m year−1, in spite of the different asymmetric shapes. Our data for dune migration rates can be described well by a scaling of MR = A/(W + W0, where W is the barchan cross-wind width, A ≈ 2835 m2 s−1, and W0 ≈ 44 m. A similar scaling fits very well the migration rate as a function of dune along-wind width L, (i.e., MR

Reversal modes in asymmetric Ni nanowires

Energy Technology Data Exchange (ETDEWEB)

Leighton, B.; Pereira, A. [Departamento de Fisica, Universidad de Santiago de Chile (USACH), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Escrig, J., E-mail: jescrigm@gmail.com [Departamento de Fisica, Universidad de Santiago de Chile (USACH), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Center for the Development of Nanoscience and Nanotechnology (CEDENNA), Avda. Ecuador 3493, 917-0124 Santiago (Chile)

2012-11-15

We have investigated the evolution of the magnetization reversal mechanism in asymmetric Ni nanowires as a function of their geometry. Circular nanowires are found to reverse their magnetization by the propagation of a vortex domain wall, while in very asymmetric nanowires the reversal is driven by the propagation of a transverse domain wall. The effect of shape asymmetry of the wire on coercivity and remanence is also studied. Angular dependence of the remanence and coercivity is also addressed. Tailoring the magnetization reversal mechanism in asymmetric nanowires can be useful for magnetic logic and race-track memory, both of which are based on the displacement of magnetic domain walls. Finally, an alternative method to detect the presence of magnetic drops is proposed. - Highlights: Black-Right-Pointing-Pointer Asymmetry strongly modifies the magnetic behavior of a wire. Black-Right-Pointing-Pointer Very asymmetric nanowires reverse their magnetization by a transverse domain wall. Black-Right-Pointing-Pointer An alternative method to detect the presence of magnetic drops is proposed. Black-Right-Pointing-Pointer Tailoring the reversal mode in asymmetric nanowires can be useful for potential applications.

Extended asymmetric-cut multilayer X-ray gratings.

Science.gov (United States)

Prasciolu, Mauro; Haase, Anton; Scholze, Frank; Chapman, Henry N; Bajt, Saša

2015-06-15

The fabrication and characterization of a large-area high-dispersion blazed grating for soft X-rays based on an asymmetric-cut multilayer structure is reported. An asymmetric-cut multilayer structure acts as a perfect blazed grating of high efficiency that exhibits a single diffracted order, as described by dynamical diffraction throughout the depth of the layered structure. The maximum number of grating periods created by cutting a multilayer deposited on a flat substrate is equal to the number of layers deposited, which limits the size of the grating. The size limitation was overcome by depositing the multilayer onto a substrate which itself is a coarse blazed grating and then polish it flat to reveal the uniformly spaced layers of the multilayer. The number of deposited layers required is such that the multilayer thickness exceeds the step height of the substrate structure. The method is demonstrated by fabricating a 27,060 line pairs per mm blazed grating (36.95 nm period) that is repeated every 3,200 periods by the 120-μm period substrate structure. This preparation technique also relaxes the requirements on stress control and interface roughness of the multilayer film. The dispersion and efficiency of the grating is demonstrated for soft X-rays of 13.2 nm wavelength.

Modeling of laser induced air plasma and shock wave dynamics using 2D-hydrodynamic simulations

Science.gov (United States)

Paturi, Prem Kiran; S, Sai Shiva; Chelikani, Leela; Ikkurthi, Venkata Ramana; C. D., Sijoy; Chaturvedi, Shashank; Acrhem, University Of Hyderabad Team; Computational Analysis Division, Bhabha Atomic Research Centre, Visakhapatnam Team

2017-06-01

The laser induced air plasma dynamics and the SW evolution modeled using the two dimensional hydrodynamic code by considering two different EOS: ideal gas EOS with charge state effects taken into consideration and Chemical Equilibrium applications (CEA) EOS considering the chemical kinetics of different species will be presented. The inverse bremsstrahlung absorption process due to electron-ion and electron-neutrals is considered for the laser-air interaction process for both the models. The numerical results obtained with the two models were compared with that of the experimental observations over the time scales of 200 - 4000 ns at an input laser intensity of 2.3 ×1010 W/cm2. The comparison shows that the plasma and shock dynamics differ significantly for two EOS considered. With the ideas gas EOS the asymmetric expansion and the subsequent plasma dynamics have been well reproduced as observed in the experiments, whereas with the CEA model these processes were not reproduced due to the laser energy absorption occurring mostly at the focal volume. ACRHEM team thank DRDO, India for funding.

Attributing Asymmetric Productivity Responses to Internal Ecosystem Dynamics and External Drivers Using Probabilistic Models

Science.gov (United States)

Parolari, A.; Goulden, M.

2017-12-01

A major challenge to interpreting asymmetric changes in ecosystem productivity is the attribution of these changes to external climate forcing or to internal ecophysiological processes that respond to these drivers (e.g., photosynthesis response to drying soil). For example, positive asymmetry in productivity can result from either positive skewness in the distribution of annual rainfall amount or from negative curvature in the productivity response to annual rainfall. To analyze the relative influences of climate and ecosystem dynamics on both positive and negative asymmetry in multi-year ANPP experiments, we use a multi-scale coupled ecosystem water-carbon model to interpret field experimental results that span gradients of rainfall skewness and ANPP response curvature. The model integrates rainfall variability, soil moisture dynamics, and net carbon assimilation from the daily to inter-annual scales. From the underlying physical basis of the model, we compute the joint probability distribution of the minimum and maximum ANPP for an annual ANPP experiment of N years. The distribution is used to estimate the likelihood that either positive or negative asymmetry will be observed in an experiment, given the annual rainfall distribution and the ANPP response curve. We estimate the total asymmetry as the mode of this joint distribution and the relative contribution attributable to rainfall skewness as the mode for a linear ANPP response curve. Applied to data from several long-term ANPP experiments, we find that there is a wide range of observed ANPP asymmetry (positive and negative) and a spectrum of contributions from internal and external factors. We identify the soil water holding capacity relative to the mean rain event depth as a critical ecosystem characteristic that controls the non-linearity of the ANPP response and positive curvature at high rainfall. Further, the seasonal distribution of rainfall is shown to control the presence or absence of negative

Asymmetric cryptography based on wavefront sensing.

Science.gov (United States)

Peng, Xiang; Wei, Hengzheng; Zhang, Peng

2006-12-15

A system of asymmetric cryptography based on wavefront sensing (ACWS) is proposed for the first time to our knowledge. One of the most significant features of the asymmetric cryptography is that a trapdoor one-way function is required and constructed by analogy to wavefront sensing, in which the public key may be derived from optical parameters, such as the wavelength or the focal length, while the private key may be obtained from a kind of regular point array. The ciphertext is generated by the encoded wavefront and represented with an irregular array. In such an ACWS system, the encryption key is not identical to the decryption key, which is another important feature of an asymmetric cryptographic system. The processes of asymmetric encryption and decryption are formulized mathematically and demonstrated with a set of numerical experiments.

SU-C-BRB-02: Symmetric and Asymmetric MLC Based Lung Shielding and Dose Optimization During Translating Bed TBI

Energy Technology Data Exchange (ETDEWEB)

Ahmed, S; Kakakhel, MB [Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad (Pakistan); Ahmed, SBS; Hussain, A [Aga Khan University Hospital (AKUH), Karachi (Pakistan)

2015-06-15

Purpose: The primary aim was to introduce a dose optimization method for translating bed total body irradiation technique that ensures lung shielding dynamically. Symmetric and asymmetric dynamic MLC apertures were employed for this purpose. Methods: The MLC aperture sizes were defined based on the radiological depth values along the divergent ray lines passing through the individual CT slices. Based on these RD values, asymmetrically shaped MLC apertures were defined every 9 mm of the phantom in superior-inferior direction. Individual MLC files were created with MATLAB™ and were imported into Eclipse™ treatment planning system for dose calculations. Lungs can be shielded to an optimum level by reducing the MLC aperture width over the lungs. The process was repeated with symmetrically shaped apertures. Results: Dose-volume histogram (DVH) analysis shows that the asymmetric MLC based technique provides better dose coverage to the body and optimum shielding of the lungs compared to symmetrically shaped beam apertures. Midline dose homogeneity is within ±3% with asymmetric MLC apertures whereas it remains within ±4.5% with symmetric ones (except head region where it drops down to −7%). The substantial over and under dosage of ±5% at tissue interfaces has been reduced to ±2% with asymmetric MLC technique. Lungs dose can be reduced to any desired limit. In this experiment lungs dose was reduced to 80% of the prescribed dose, as was desired. Conclusion: The novel asymmetric MLC based technique assures optimum shielding of OARs (e.g. lungs) and better 3-D dose homogeneity and body-dose coverage in comparison with the symmetric MLC aperture optimization. The authors acknowledge the financial and infrastructural support provided by Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad and Aga Khan University Hospital (AKUH), Karachi during the course of this research project. Authors have no conflict of interest with any national / international

Influence of reactor vessel nodalization in the coupled code analysis of Asymmetric Main Feedwater Isolation

International Nuclear Information System (INIS)

Bencik, V.; Feretic, D.; Grgic, D.

2001-01-01

Asymmetric Main Feedwater Isolation (AMFWI) transient in one Steam Generator (SG) for NPP Krsko using RELAP5 standalone code and coupled code RELAP5- QUABOX/CUBBOX (R5QC) was analyzed. In the RELAP5 standalone calculation, a point kinetics model was used, while in the coupled code a three-dimensional (3D) neutronics model of QUABOX with different RELAP5 nodalization schemes of reactor vessel was used. Both code versions use best-estimate thermal-hydraulic system code for all components in the plant and include realistic description of plant protection and control systems. Two different types of calculations were performed: with and without automatic control rod system available. The AMFWI transient causes the great asymmetry of the transferred heat in the SGs and subsequently the asymmetry of the power produced across the core due to different reactivity feedback resulting from the thermal-hydraulic channels assigned to different loops. The work presented in the paper is a part of validation of the 3D coupled code R5QC in the analysis of asymmetric transients.(author)

Quantifying social asymmetric structures.

Science.gov (United States)

Solanas, Antonio; Salafranca, Lluís; Riba, Carles; Sierra, Vicenta; Leiva, David

2006-08-01

Many social phenomena involve a set of dyadic relations among agents whose actions may be dependent. Although individualistic approaches have frequently been applied to analyze social processes, these are not generally concerned with dyadic relations, nor do they deal with dependency. This article describes a mathematical procedure for analyzing dyadic interactions in a social system. The proposed method consists mainly of decomposing asymmetric data into their symmetric and skew-symmetric parts. A quantification of skew symmetry for a social system can be obtained by dividing the norm of the skew-symmetric matrix by the norm of the asymmetric matrix. This calculation makes available to researchers a quantity related to the amount of dyadic reciprocity. With regard to agents, the procedure enables researchers to identify those whose behavior is asymmetric with respect to all agents. It is also possible to derive symmetric measurements among agents and to use multivariate statistical techniques.

Hybrid dynamic modeling of Escherichia coli central metabolic network combining Michaelis–Menten and approximate kinetic equations

DEFF Research Database (Denmark)

Costa, Rafael S.; Machado, Daniel; Rocha, Isabel

2010-01-01

, represent nowadays the limiting factor in the construction of such models. In this study, we compare four alternative modeling approaches based on Michaelis–Menten kinetics for the bi-molecular reactions and different types of simplified rate equations for the remaining reactions (generalized mass action......The construction of dynamic metabolic models at reaction network level requires the use of mechanistic enzymatic rate equations that comprise a large number of parameters. The lack of knowledge on these equations and the difficulty in the experimental identification of their associated parameters...

Challenging fission dynamics around the barrier: The case of {sup 34}S + {sup 186}W

Energy Technology Data Exchange (ETDEWEB)

Kozulin, E.M.; Itkis, I.; Knyazheva, G.; Novikov, K.; Bogachev, A.; Dmitriev, S.; Loktev, T. [Joint Institute for Nuclear Research, Flerov Laboratory of Nuclear Reactions, Dubna (Russian Federation); Vardaci, E. [Dipartamento di Scienze Fisiche, Napoli (Italy); INFN, Napoli (Italy); Harca, I.M. [Joint Institute for Nuclear Research, Flerov Laboratory of Nuclear Reactions, Dubna (Russian Federation); Horia Hulubei National Institute for R and D in Physics and Nuclear Engineering (IFIN-HH), Bucharest - Magurele (Romania); Universitatea din Bucuresti, Facultatea de Fizica, Bucharest (Romania); Schmitt, C.; Piot, J. [GANIL, CEA/DSM-CNRS/IN2P3, Bd Henri Becquerel, BP 55027, Caen (France); Azaiez, F.; Matea, I.; Verney, D.; Gottardo, A. [Universite Paris-Saclay, IPN, CNRS/IN2P3, Orsay (France); Dorvaux, O. [Universite de Strasbourg, IPHC, CNRS/IN2P3, Strasbourg (France); Chubarian, G. [Texas A and M University, Cyclotron Institute, College Station, TX (United States); Trzaska, W.H. [Accelerator Laboratory of University of Jyvaskyla (JYFL), Jyvaskyla (Finland); Hanappe, F. [Universite Libre de Bruxelles (ULB), Bruxelles (Belgium); Borcea, C.; Calinescu, S.; Petrone, C. [Horia Hulubei National Institute for R and D in Physics and Nuclear Engineering (IFIN-HH), Bucharest - Magurele (Romania)

2016-09-15

The current status of fission dynamics studies in heavy-ion collisions around the Coulomb barrier is illustrated with the {sup 34}S + {sup 186}W reaction. The fission-fragment mass and total kinetic energy were measured at the ALTO facility at IPN Orsay, France, with a dedicated set-up using the (v, E) approach. The measurement reveals the presence of an asymmetric fission component on top of a predominantly symmetric distribution. The asymmetric structure, pointed out for the first time, is discussed along with results of previous experiments studying the same reaction. While these analyses suggested the contribution from either quasi-fission or pre-equilibrium fission, we offer an alternative interpretation, in terms of shell-driven compound-nucleus fission. The present measurement demonstrates the critical influence of resolution when addressing puzzling cases, situated at the crossroads of the various channels opened in a heavy-ion collision. Current status in the field clearly calls for innovative measurements involving manifold correlations and new observables. The outcome of the attempt done in this work in this direction, based on the coincident measurement of prompt γ-rays is reported, and encouraging perspectives are discussed. (orig.)

Kinetic Behavior of Escherichia coli on Various Cheeses under Constant and Dynamic Temperature.

Science.gov (United States)

Kim, K; Lee, H; Gwak, E; Yoon, Y

2014-07-01

In this study, we developed kinetic models to predict the growth of pathogenic Escherichia coli on cheeses during storage at constant and changing temperatures. A five-strain mixture of pathogenic E. coli was inoculated onto natural cheeses (Brie and Camembert) and processed cheeses (sliced Mozzarella and sliced Cheddar) at 3 to 4 log CFU/g. The inoculated cheeses were stored at 4, 10, 15, 25, and 30°C for 1 to 320 h, with a different storage time being used for each temperature. Total bacteria and E. coli cells were enumerated on tryptic soy agar and MacConkey sorbitol agar, respectively. E. coli growth data were fitted to the Baranyi model to calculate the maximum specific growth rate (μ max; log CFU/g/h), lag phase duration (LPD; h), lower asymptote (log CFU/g), and upper asymptote (log CFU/g). The kinetic parameters were then analyzed as a function of storage temperature, using the square root model, polynomial equation, and linear equation. A dynamic model was also developed for varying temperature. The model performance was evaluated against observed data, and the root mean square error (RMSE) was calculated. At 4°C, E. coli cell growth was not observed on any cheese. However, E. coli growth was observed at 10°C to 30°C with a μ max of 0.01 to 1.03 log CFU/g/h, depending on the cheese. The μ max values increased as temperature increased, while LPD values decreased, and μ max and LPD values were different among the four types of cheese. The developed models showed adequate performance (RMSE = 0.176-0.337), indicating that these models should be useful for describing the growth kinetics of E. coli on various cheeses.

Designing asymmetric multiferroics with strong magnetoelectric coupling

Science.gov (United States)

Lu, Xuezeng; Xiang, Hongjun; Rondinelli, James; Materials Theory; Design Group Team

2015-03-01

Multiferroics offer exciting opportunities for electric-field control of magnetism. Single-phase multiferroics suitable for such applications at room temperature need much more study. Here, we propose the concept of an alternative type of multiferroics, namely, the ``asymmetric multiferroic.'' In asymmetric multiferroics, two locally stable ferroelectric states are not symmetrically equivalent, leading to different magnetic properties between these two states. Furthermore, we predict from first principles that a Fe-Cr-Mo superlattice with the LiNbO3-type structure is such an asymmetric multiferroic. The strong ferrimagnetism, high ferroelectric polarization, and significant dependence of the magnetic transition temperature on polarization make this asymmetric multiferroic an ideal candidate for realizing electric-field control of magnetism at room temperature. Our study suggests that the asymmetric multiferroic may provide an alternative playground for voltage control of magnetism and find its applications in spintronics and quantum computing.

Asymmetric intergroup bullying: The enactment and maintenance of societal inequality at work

OpenAIRE

Soylu, Soydan; Sheehy-Skeffington, Jennifer

2015-01-01

What does inequality mean for dysfunctional organizational behaviours, such as workplace bullying? This article argues that workplace bullying can be understood as a manifestation of intergroup dynamics originating beyond the organization. We introduce the construct of asymmetric intergroup bullying: the disproportionate mistreatment of members of low status groups, with the intended effect of enhancing the subordination of that group in society at large. Analysis of data from 38 interviews w...

Symmetric and Asymmetric Tendencies in Stable Complex Systems.

Science.gov (United States)

Tan, James P L

2016-08-22

A commonly used approach to study stability in a complex system is by analyzing the Jacobian matrix at an equilibrium point of a dynamical system. The equilibrium point is stable if all eigenvalues have negative real parts. Here, by obtaining eigenvalue bounds of the Jacobian, we show that stable complex systems will favor mutualistic and competitive relationships that are asymmetrical (non-reciprocative) and trophic relationships that are symmetrical (reciprocative). Additionally, we define a measure called the interdependence diversity that quantifies how distributed the dependencies are between the dynamical variables in the system. We find that increasing interdependence diversity has a destabilizing effect on the equilibrium point, and the effect is greater for trophic relationships than for mutualistic and competitive relationships. These predictions are consistent with empirical observations in ecology. More importantly, our findings suggest stabilization algorithms that can apply very generally to a variety of complex systems.

A discontinuous Galerkin method on kinetic flocking models

OpenAIRE

Tan, Changhui

2014-01-01

We study kinetic representations of flocking models. They arise from agent-based models for self-organized dynamics, such as Cucker-Smale and Motsch-Tadmor models. We prove flocking behavior for the kinetic descriptions of flocking systems, which indicates a concentration in velocity variable in infinite time. We propose a discontinuous Galerkin method to treat the asymptotic $\\delta$-singularity, and construct high order positive preserving scheme to solve kinetic flocking systems.

Chemical kinetic modeling of H{sub 2} applications

Energy Technology Data Exchange (ETDEWEB)

Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D. [Lawrence Livermore National Lab., CA (United States)] [and others

1995-09-01

Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.

SPQR: a Monte Carlo reactor kinetics code

International Nuclear Information System (INIS)

Cramer, S.N.; Dodds, H.L.

1980-02-01

The SPQR Monte Carlo code has been developed to analyze fast reactor core accident problems where conventional methods are considered inadequate. The code is based on the adiabatic approximation of the quasi-static method. This initial version contains no automatic material motion or feedback. An existing Monte Carlo code is used to calculate the shape functions and the integral quantities needed in the kinetics module. Several sample problems have been devised and analyzed. Due to the large statistical uncertainty associated with the calculation of reactivity in accident simulations, the results, especially at later times, differ greatly from deterministic methods. It was also found that in large uncoupled systems, the Monte Carlo method has difficulty in handling asymmetric perturbations

Transient Response Dynamic Module Modifications to Include Static and Kinetic Friction Effects

Science.gov (United States)

Misel, J. E.; Nenno, S. B.; Takahashi, D.

1984-01-01

A methodology that supports forced transient response dynamic solutions when both static and kinetic friction effects are included in a structural system model is described. Modifications that support this type of nonlinear transient response solution are summarized for the transient response dynamics (TRD) NASTRAN module. An overview of specific modifications for the NASTRAN processing subroutines, INITL, TRD1C, and TRD1D, are described with further details regarding inspection of nonlinear input definitions to define the type of nonlinear solution required, along with additional initialization requirements and specific calculation subroutines to successfully solve the transient response problem. The extension of the basic NASTRAN nonlinear methodology is presented through several stages of development to the point where constraint equations and residual flexibility effects are introduced into the finite difference Newmark-Beta recurrsion formulas. Particular emphasis is placed on cost effective solutions for large finite element models such as the Space Shuttle with friction degrees of freedom between the orbiter and payloads mounted in the cargo bay. An alteration to the dynamic finite difference equations of motion is discussed, which allows one to include friction effects at reasonable cost for large structural systems such as the Space Shuttle. Data are presented to indicate the possible impact of transient friction loads to the payload designer for the Space Shuttle. Transient response solution data are also included, which compare solutions without friction forces and those with friction forces for payloads mounted in the Space Shuttle cargo bay. These data indicate that payload components can be sensitive to friction induced loads.

Asymmetric mass models of disk galaxies. I. Messier 99

Science.gov (United States)

Chemin, Laurent; Huré, Jean-Marc; Soubiran, Caroline; Zibetti, Stefano; Charlot, Stéphane; Kawata, Daisuke

2016-04-01

Mass models of galactic disks traditionally rely on axisymmetric density and rotation curves, paradoxically acting as if their most remarkable asymmetric features, such as lopsidedness or spiral arms, were not important. In this article, we relax the axisymmetry approximation and introduce a methodology that derives 3D gravitational potentials of disk-like objects and robustly estimates the impacts of asymmetries on circular velocities in the disk midplane. Mass distribution models can then be directly fitted to asymmetric line-of-sight velocity fields. Applied to the grand-design spiral M 99, the new strategy shows that circular velocities are highly nonuniform, particularly in the inner disk of the galaxy, as a natural response to the perturbed gravitational potential of luminous matter. A cuspy inner density profile of dark matter is found in M 99, in the usual case where luminous and dark matter share the same center. The impact of the velocity nonuniformity is to make the inner profile less steep, although the density remains cuspy. On another hand, a model where the halo is core dominated and shifted by 2.2-2.5 kpc from the luminous mass center is more appropriate to explain most of the kinematical lopsidedness evidenced in the velocity field of M 99. However, the gravitational potential of luminous baryons is not asymmetric enough to explain the kinematical lopsidedness of the innermost regions, irrespective of the density shape of dark matter. This discrepancy points out the necessity of an additional dynamical process in these regions: possibly a lopsided distribution of dark matter.

Exercise: Kinetic considerations for gas exchange.

Science.gov (United States)

Rossiter, Harry B

2011-01-01

The activities of daily living typically occur at metabolic rates below the maximum rate of aerobic energy production. Such activity is characteristic of the nonsteady state, where energy demands, and consequential physiological responses, are in constant flux. The dynamics of the integrated physiological processes during these activities determine the degree to which exercise can be supported through rates of O₂ utilization and CO₂ clearance appropriate for their demands and, as such, provide a physiological framework for the notion of exercise intensity. The rate at which O₂ exchange responds to meet the changing energy demands of exercise--its kinetics--is dependent on the ability of the pulmonary, circulatory, and muscle bioenergetic systems to respond appropriately. Slow response kinetics in pulmonary O₂ uptake predispose toward a greater necessity for substrate-level energy supply, processes that are limited in their capacity, challenge system homeostasis and hence contribute to exercise intolerance. This review provides a physiological systems perspective of pulmonary gas exchange kinetics: from an integrative view on the control of muscle oxygen consumption kinetics to the dissociation of cellular respiration from its pulmonary expression by the circulatory dynamics and the gas capacitance of the lungs, blood, and tissues. The intensity dependence of gas exchange kinetics is discussed in relation to constant, intermittent, and ramped work rate changes. The influence of heterogeneity in the kinetic matching of O₂ delivery to utilization is presented in reference to exercise tolerance in endurance-trained athletes, the elderly, and patients with chronic heart or lung disease. © 2011 American Physiological Society.

Orientation of X Lines in Asymmetric Magnetic Reconnection-Mass Ratio Dependency

Science.gov (United States)

Liu, Yi-Hsin; Hesse, M.; Kuznetsova, M.

2015-01-01

Using fully kinetic simulations, we study the X line orientation of magnetic reconnection in an asymmetric configuration. A spatially localized perturbation is employed to induce a single X line, which has sufficient freedom to choose its orientation in three-dimensional systems. The effect of ion to electron mass ratio is investigated, and the X line appears to bisect the magnetic shear angle across the current sheet in the large mass ratio limit. The orientation can generally be deduced by scanning through the corresponding 2-D simulations to find the reconnection plane that maximizes the peak reconnection electric field. The deviation from the bisection angle in the lower mass ratio limit is consistent with the orientation shift of the most unstable linear tearing mode in an electron-scale current sheet.

Influence of the partial volume correction method on (18)F-fluorodeoxyglucose brain kinetic modelling from dynamic PET images reconstructed with resolution model based OSEM.

Science.gov (United States)

Bowen, Spencer L; Byars, Larry G; Michel, Christian J; Chonde, Daniel B; Catana, Ciprian

2013-10-21

Kinetic parameters estimated from dynamic (18)F-fluorodeoxyglucose ((18)F-FDG) PET acquisitions have been used frequently to assess brain function in humans. Neglecting partial volume correction (PVC) for a dynamic series has been shown to produce significant bias in model estimates. Accurate PVC requires a space-variant model describing the reconstructed image spatial point spread function (PSF) that accounts for resolution limitations, including non-uniformities across the field of view due to the parallax effect. For ordered subsets expectation maximization (OSEM), image resolution convergence is local and influenced significantly by the number of iterations, the count density, and background-to-target ratio. As both count density and background-to-target values for a brain structure can change during a dynamic scan, the local image resolution may also concurrently vary. When PVC is applied post-reconstruction the kinetic parameter estimates may be biased when neglecting the frame-dependent resolution. We explored the influence of the PVC method and implementation on kinetic parameters estimated by fitting (18)F-FDG dynamic data acquired on a dedicated brain PET scanner and reconstructed with and without PSF modelling in the OSEM algorithm. The performance of several PVC algorithms was quantified with a phantom experiment, an anthropomorphic Monte Carlo simulation, and a patient scan. Using the last frame reconstructed image only for regional spread function (RSF) generation, as opposed to computing RSFs for each frame independently, and applying perturbation geometric transfer matrix PVC with PSF based OSEM produced the lowest magnitude bias kinetic parameter estimates in most instances, although at the cost of increased noise compared to the PVC methods utilizing conventional OSEM. Use of the last frame RSFs for PVC with no PSF modelling in the OSEM algorithm produced the lowest bias in cerebral metabolic rate of glucose estimates, although by less than 5% in

Congenital asymmetric crying face: a case report

Directory of Open Access Journals (Sweden)

Semra Kara

2011-12-01

Full Text Available Congenital asymmetric crying face is an anomalia caused by unilateral absence or weakness of depressor anguli oris muscle The major finding of the disease is the absence or weakness in the outer and lower movement of the commissure during crying. The other expression muscles are normal and the face is symmetric at rest. The asymmetry in congenital asymmetric crying face is most evident during infancy but decreases by age. Congenital asymmetric crying face can be associated with cervicofacial, musclebone, respiratory, genitourinary and central nervous system anomalia. It is diagnosed by physical examination. This paper presents a six days old infant with Congenital asymmetric crying face and discusses the case in terms of diagnosis and disease features.

Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

International Nuclear Information System (INIS)

Keskin, Mustafa; Canko, Osman; Deviren, Bayram

2007-01-01

We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 0 5.06

Self-consistent green function calculations for isospin asymmetric nuclear matter

International Nuclear Information System (INIS)

Mansour, Hesham; Gad, Khalaf; Hassaneen, Khaled S.A.

2010-01-01

The one-body potentials for protons and neutrons are obtained from the self-consistent Green-function calculations of asymmetric nuclear matter, in particular their dependence on the degree of proton/neutron asymmetry. Results of the binding energy per nucleon as a function of the density and asymmetry parameter are presented for the self-consistent Green function approach using the CD-Bonn potential. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The contribution of the hole-hole terms leads to a repulsive contribution to the energy per nucleon which increases with the nuclear density. The incompressibility for asymmetric nuclear matter has been also investigated in the framework of the self-consistent Green-function approach using the CD-Bonn potential. The behavior of the incompressibility is studied for different values of the nuclear density and the neutron excess parameter. The nuclear symmetry potential at fixed nuclear density is also calculated and its value decreases with increasing the nucleon energy. In particular, the nuclear symmetry potential at saturation density changes from positive to negative values at nucleon kinetic energy of about 200 MeV. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The proton/neutron effective mass splitting in neutron-rich matter has been studied. The predicted isospin splitting of the proton/neutron effective mass splitting in neutron-rich matter is such that m n * ≥ m p * . (author)

Merging Iron Catalysis and Biocatalysis-Iron Carbonyl Complexes as Efficient Hydrogen Autotransfer Catalysts in Dynamic Kinetic Resolutions

KAUST Repository

El-Sepelgy, Osama

2016-09-29

A dual catalytic iron/lipase system has been developed and applied in the dynamic kinetic resolution of benzylic and aliphatic secondary alcohols. A detailed study of the Knölker-type iron complexes demonstrated the hydrogen autotransfer of alcohols to proceed under mild reaction conditions and allowed the combination with the enzymatic resolution. Different racemic alcohols were efficiently converted to chiral acetates in good yields and with excellent enantioselectivities. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

Role of dynamical screening in excitation kinetics of biased quantum wells: Nonlinear absorption and ultrabroadband terahertz emission

DEFF Research Database (Denmark)

Turchinovich, Dmitry; Monozon, B. S.; Jepsen, Peter Uhd

2006-01-01

In this work we describe the ultrafast excitation kinetics of biased quantum well, arising from the optically induced dynamical screening of a bias electric field. The initial bia electric field inside the quantum well is screened by the optically excited polarized electron-hole pairs. This leads...... wells are in good agreement with our experimental observations [Turchinovich et al., Phys. Rev. B 68, 241307(R) (2003)], as well as in perfect compliance with qualitative considerations. ©2006 American Institute of Physics...

Merging Iron Catalysis and Biocatalysis-Iron Carbonyl Complexes as Efficient Hydrogen Autotransfer Catalysts in Dynamic Kinetic Resolutions

KAUST Repository

El-Sepelgy, Osama; Alandini, Nurtalya; Rueping, Magnus

2016-01-01

A dual catalytic iron/lipase system has been developed and applied in the dynamic kinetic resolution of benzylic and aliphatic secondary alcohols. A detailed study of the Knölker-type iron complexes demonstrated the hydrogen autotransfer of alcohols to proceed under mild reaction conditions and allowed the combination with the enzymatic resolution. Different racemic alcohols were efficiently converted to chiral acetates in good yields and with excellent enantioselectivities. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

Studies of pyrolysis kinetics of sewage sludge obtained from dynamic experiments; Estudio cinetico de la pirolisis de fangos mediante experimentos dinamicos

Energy Technology Data Exchange (ETDEWEB)

Arauzo, J; Gonzalo, A; Sanchez, J L [Universidad de Zaragoza, Madrid (Spain). Inst. de Investigacion en Ingenieria de Aragon. Grupo de Procesos Termoquimicos; Resende, F L.P. [University of Michigan, Ann Arbor, MI (United States). Dept. of Chemical Engineering; Rocha, J D [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Nucleo Interdisciplinar de Planejamento Energetico (NIPE); Mesa Perez, J M [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Fac. de Engenharia Agricola

2004-07-01

In this work, a pyrolysis model is presented in order to describe the pyrolysis kinetics of sewage sludge. Data were obtained from dynamic experiments, at heating rates of 5 to 20 deg C/min and in a temperature range of 40 to 900 deg C. A simple first order or near first order can predict reasonably well the final conversion reached, but, in what concerns the weight loss rate, a simple model cannot predict the peaks obtained in the weight loss rate. As it is shown, the best fit has been obtained by a model which takes into account four fractions which decompose independently following a first order kinetics. (author)

Modeling chemical kinetics graphically

NARCIS (Netherlands)

Heck, A.

2012-01-01

In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could

Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

Energy Technology Data Exchange (ETDEWEB)

Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)]. E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2007-06-15

We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 0dynamic tricritical point for 1.44dynamic tricritical points for h>5.06.

Long-lived oscillons from asymmetric bubbles: Existence and stability

International Nuclear Information System (INIS)

Adib, Artur B.; Gleiser, Marcelo; Almeida, Carlos A. S.

2002-01-01

The possibility that extremely long-lived, time-dependent, and localized field configurations ('oscillons') arise during the collapse of asymmetrical bubbles in (2+1)-dimensional φ 4 models is investigated. It is found that oscillons can develop from a large spectrum of elliptically deformed bubbles. Moreover, we provide numerical evidence that such oscillons are (a) circularly symmetric and (b) linearly stable against small arbitrary radial and angular perturbations. The latter is based on a dynamical approach designed to investigate the stability of nonintegrable time-dependent configurations that is capable of probing slowly growing instabilities not seen through the usual 'spectral' method

Long-lived oscillons from asymmetric bubbles: Existence and stability

Science.gov (United States)

Adib, Artur B.; Gleiser, Marcelo; Almeida, Carlos A.

2002-10-01

The possibility that extremely long-lived, time-dependent, and localized field configurations (``oscillons'') arise during the collapse of asymmetrical bubbles in (2+1)-dimensional φ4 models is investigated. It is found that oscillons can develop from a large spectrum of elliptically deformed bubbles. Moreover, we provide numerical evidence that such oscillons are (a) circularly symmetric and (b) linearly stable against small arbitrary radial and angular perturbations. The latter is based on a dynamical approach designed to investigate the stability of nonintegrable time-dependent configurations that is capable of probing slowly growing instabilities not seen through the usual ``spectral'' method.

Evidence for Dynamic Chemical Kinetics at Individual Molecular Ruthenium Catalysts.

Science.gov (United States)

Easter, Quinn T; Blum, Suzanne A

2018-02-05

Catalytic cycles are typically depicted as possessing time-invariant steps with fixed rates. Yet the true behavior of individual catalysts with respect to time is unknown, hidden by the ensemble averaging inherent to bulk measurements. Evidence is presented for variable chemical kinetics at individual catalysts, with a focus on ring-opening metathesis polymerization catalyzed by the second-generation Grubbs' ruthenium catalyst. Fluorescence microscopy is used to probe the chemical kinetics of the reaction because the technique possesses sufficient sensitivity for the detection of single chemical reactions. Insertion reactions in submicron regions likely occur at groups of many (not single) catalysts, yet not so many that their unique kinetic behavior is ensemble averaged. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

An Explicit Finite Difference scheme for numerical solution of fractional neutron point kinetic equation

International Nuclear Information System (INIS)

Saha Ray, S.; Patra, A.

2012-01-01

Highlights: ► In this paper fractional neutron point kinetic equation has been analyzed. ► The numerical solution for fractional neutron point kinetic equation is obtained. ► Explicit Finite Difference Method has been applied. ► Supercritical reactivity, critical reactivity and subcritical reactivity analyzed. ► Comparison between fractional and classical neutron density is presented. - Abstract: In the present article, a numerical procedure to efficiently calculate the solution for fractional point kinetics equation in nuclear reactor dynamics is investigated. The Explicit Finite Difference Method is applied to solve the fractional neutron point kinetic equation with the Grunwald–Letnikov (GL) definition (). Fractional Neutron Point Kinetic Model has been analyzed for the dynamic behavior of the neutron motion in which the relaxation time associated with a variation in the neutron flux involves a fractional order acting as exponent of the relaxation time, to obtain the best operation of a nuclear reactor dynamics. Results for neutron dynamic behavior for subcritical reactivity, supercritical reactivity and critical reactivity and also for different values of fractional order have been presented and compared with the classical neutron point kinetic (NPK) equation as well as the results obtained by the learned researchers .

Effective potential kinetic theory for strongly coupled plasmas

Science.gov (United States)

Baalrud, Scott D.; Daligault, Jérôme

2016-11-01

The effective potential theory (EPT) is a recently proposed method for extending traditional plasma kinetic and transport theory into the strongly coupled regime. Validation from experiments and molecular dynamics simulations have shown it to be accurate up to the onset of liquid-like correlation parameters (corresponding to Γ ≃ 10-50 for the one-component plasma, depending on the process of interest). Here, this theory is briefly reviewed along with comparisons between the theory and molecular dynamics simulations for self-diffusivity and viscosity of the one-component plasma. A number of new results are also provided, including calculations of friction coefficients, energy exchange rates, stopping power, and mobility. The theory is also cast in the Landau and Fokker-Planck kinetic forms, which may prove useful for enabling efficient kinetic computations.

Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

Energy Technology Data Exchange (ETDEWEB)

Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kocakaplan, Yusuf [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2013-12-15

Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior.

Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

International Nuclear Information System (INIS)

Ertaş, Mehmet; Kocakaplan, Yusuf; Keskin, Mustafa

2013-01-01

Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior

Influence of Prolonged Spaceflight on Heart Rate and Oxygen Uptake Kinetics

Science.gov (United States)

Hoffmann, U.; Moore, A.; Drescher, U.

2013-02-01

During prolonged spaceflight, physical training is used to minimize cardiovascular deconditioning. Measurement of the kinetics of cardiorespiratory parameters, in particular the kinetic analysis of heart rate, respiratory and muscular oxygen uptake, provides useful information with regard to the efficiency and regulation of the cardiorespiratory system. Practically, oxygen uptake kinetics can only be measured at the lung site (V’O2 resp). The dynamics of V’O2 resp, however, is not identical with the dynamics at the site of interest: skeletal muscle. Eight Astronauts were tested pre- and post-flight using pseudo random binary workload changes between 30 and 80 W. Their kinetic responses of heart rate, respiratory as well as muscular V’O2 kinetics were estimated by using time-series analysis. Statistical analysis revealed that the kinetic responses of respiratory as well as muscular V’O2 kinetics are slowed post-flight than pre-flight. Heart rate seems not to be influenced following flight. The influence of other factors (e. g. astronauts’ exercise training) may impact these parameters and is an area for future studies.

Multicatalyst system in asymmetric catalysis

CERN Document Server

Zhou, Jian

2014-01-01

This book introduces multi-catalyst systems by describing their mechanism and advantages in asymmetric catalysis.  Helps organic chemists perform more efficient catalysis with step-by-step methods  Overviews new concepts and progress for greener and economic catalytic reactions  Covers topics of interest in asymmetric catalysis including bifunctional catalysis, cooperative catalysis, multimetallic catalysis, and novel tandem reactions   Has applications for pharmaceuticals, agrochemicals, materials, and flavour and fragrance

A Comparison of Kinetic Energy and Momentum in Special Relativity and Classical Mechanics

Science.gov (United States)

Riggs, Peter J.

2016-01-01

Kinetic energy and momentum are indispensable dynamical quantities in both the special theory of relativity and in classical mechanics. Although momentum and kinetic energy are central to understanding dynamics, the differences between their relativistic and classical notions have not always received adequate treatment in undergraduate teaching.…

Molecular kinetics. Ras activation by SOS: allosteric regulation by altered fluctuation dynamics.

Science.gov (United States)

Iversen, Lars; Tu, Hsiung-Lin; Lin, Wan-Chen; Christensen, Sune M; Abel, Steven M; Iwig, Jeff; Wu, Hung-Jen; Gureasko, Jodi; Rhodes, Christopher; Petit, Rebecca S; Hansen, Scott D; Thill, Peter; Yu, Cheng-Han; Stamou, Dimitrios; Chakraborty, Arup K; Kuriyan, John; Groves, Jay T

2014-07-04

Activation of the small guanosine triphosphatase H-Ras by the exchange factor Son of Sevenless (SOS) is an important hub for signal transduction. Multiple layers of regulation, through protein and membrane interactions, govern activity of SOS. We characterized the specific activity of individual SOS molecules catalyzing nucleotide exchange in H-Ras. Single-molecule kinetic traces revealed that SOS samples a broad distribution of turnover rates through stochastic fluctuations between distinct, long-lived (more than 100 seconds), functional states. The expected allosteric activation of SOS by Ras-guanosine triphosphate (GTP) was conspicuously absent in the mean rate. However, fluctuations into highly active states were modulated by Ras-GTP. This reveals a mechanism in which functional output may be determined by the dynamical spectrum of rates sampled by a small number of enzymes, rather than the ensemble average. Copyright © 2014, American Association for the Advancement of Science.

Coulomb and even-odd effects in cold and super-asymmetric fragmentation for thermal neutron induced fission of {sup 235}U

Energy Technology Data Exchange (ETDEWEB)

Montoya, M. [Universidad Nacional de Ingeniería, Av. Túpac Amaru 210, Rímac, Lima (Peru)

2016-07-07

Even-odd effects of the maximal total kinetic energy (K{sub max}) as a function of charge (Z) and mass (A) of fragments from thermal neutron induced fission of actinides are questioned by other authors. In this work, visiting old results on thermal neutron induced fission of {sup 235}U, those even-odd effects are reconfirmed. The cases seeming to contradict even-odd effects are interpreted with the Coulomb effect hypothesis. According to Coulomb effect hypothesis, K{sub max} is equal to the Coulomb interaction energy of the most compact scission configuration. As a consequence, between two isobaric charge splits with similar Q-values, the more asymmetrical one will get the more compact scission configuration and then it will reach the higher K{sub max}-value. In some cases, the more asymmetrical charge split corresponds, by coincidence, to an odd charge split; consequently its higher K{sub max}-value may be misinterpreted as anti-even-odd effect. Another experimental result reported in the literature is the increasing of even-odd effects on charge distribution on the more asymmetrical fragmentations region. In this region, the difference between K{sub max} and Q-values increases with asymmetry, which means that the corresponding scission configuration needs higher total deformation energy to occur. Higher deformation energy of the fragments implies lower free energy to break nucleon pairs. Consequently, in the asymmetric fragmentation region, the even-odd effects of the distribution of proton number and neutron number must increase with asymmetry.

Estimation of value at risk in currency exchange rate portfolio using asymmetric GJR-GARCH Copula

Science.gov (United States)

Nurrahmat, Mohamad Husein; Noviyanti, Lienda; Bachrudin, Achmad

2017-03-01

In this study, we discuss the problem in measuring the risk in a portfolio based on value at risk (VaR) using asymmetric GJR-GARCH Copula. The approach based on the consideration that the assumption of normality over time for the return can not be fulfilled, and there is non-linear correlation for dependent model structure among the variables that lead to the estimated VaR be inaccurate. Moreover, the leverage effect also causes the asymmetric effect of dynamic variance and shows the weakness of the GARCH models due to its symmetrical effect on conditional variance. Asymmetric GJR-GARCH models are used to filter the margins while the Copulas are used to link them together into a multivariate distribution. Then, we use copulas to construct flexible multivariate distributions with different marginal and dependence structure, which is led to portfolio joint distribution does not depend on the assumptions of normality and linear correlation. VaR obtained by the analysis with confidence level 95% is 0.005586. This VaR derived from the best Copula model, t-student Copula with marginal distribution of t distribution.

The Einstein-Vlasov System/Kinetic Theory.

Science.gov (United States)

Andréasson, Håkan

2011-01-01

The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on non-relativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to a good comprehension of kinetic theory in general relativity.

Dynamics of asymmetric non-polymeric binary glass formers—A nuclear magnetic resonance and dielectric spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Pötzschner, B.; Mohamed, F.; Lichtinger, A.; Bock, D.; Rössler, E. A., E-mail: ernst.roessler@uni-bayreuth.de [Experimentalphysik II, Universität Bayreuth, 95440 Bayreuth (Germany)

2015-10-21

We study a dynamically asymmetric binary glass former with the low-T{sub g} component m-tri-cresyl phosphate (m-TCP: T{sub g} = 206 K) and a spirobichroman derivative as a non-polymeric high-T{sub g} component (T{sub g} = 382 K) by means of {sup 1}H nuclear magnetic resonance (NMR), {sup 31}P NMR, and dielectric spectroscopy which allow component-selectively probing the dynamics. The entire concentration range is covered, and two main relaxation processes with two T{sub g} are identified, T{sub g1} and T{sub g2}. The slower one is attributed to the high-T{sub g} component (α{sub 1}-process), and the faster one is related to the m-TCP molecules (α{sub 2}-process). Yet, there are indications that a small fraction of m-TCP is associated also with the α{sub 1}-process. While the α{sub 1}-relaxation only weakly broadens upon adding m-TCP, the α{sub 2}-relaxation becomes extremely stretched leading to quasi-logarithmic correlation functions at low m-TCP concentrations—as probed by {sup 31}P NMR stimulated echo experiments. Frequency-temperature superposition does not apply for the α{sub 2}-process and it reflects an isotropic, liquid-like motion which is observed even below T{sub g1}, i.e., in the matrix of the arrested high-T{sub g} molecules. As proven by 2D {sup 31}P NMR, the corresponding dynamic heterogeneities are of transient nature, i.e., exchange occurs within the distribution G(lnτ{sub α2}). At T{sub g1} a crossover is found for the temperature dependence of (mean) τ{sub α2}(T) from non-Arrhenius above to Arrhenius below T{sub g1} which is attributed to intrinsic confinement effects. This “fragile-to-strong” transition also leads to a re-decrease of T{sub g2}(c{sub m−TCP}) at low concentration c{sub m−TCP}, i.e., a maximum is observed in T{sub g2}(c{sub m−TCP}) while T{sub g1}(c{sub m−TCP}) displays the well-known plasticizer effect. Although only non-polymeric components are involved, we re-discover essentially all features previously

Molecular dynamics study of kinetic boundary condition at an interface between a polyatomic vapor and its condensed phase

OpenAIRE

Ishiyama, Tatsuya; Yano, Takeru; Fujikawa, Shigeo

2004-01-01

The kinetic boundary condition for the Boltzmann equation at an interface between a polyatomic vapor and its liquid phase is investigated by the numerical method of molecular dynamics, with particular emphasis on the functional form of the evaporation part of the boundary condition, including the evaporation coefficient. The present study is an extension of a previous one for argon [Ishiyama, Yano, and Fujikawa, Phys. Fluids 16, 2899 (2004)] to water and methanol, typical examples of polyatom...

Simultaneous measurement of amyloid fibril formation by dynamic light scattering and fluorescence reveals complex aggregation kinetics.

Directory of Open Access Journals (Sweden)

Aaron M Streets

Full Text Available An apparatus that combines dynamic light scattering and Thioflavin T fluorescence detection is used to simultaneously probe fibril formation in polyglutamine peptides, the aggregating subunit associated with Huntington's disease, in vitro. Huntington's disease is a neurodegenerative disorder in a class of human pathologies that includes Alzheimer's and Parkinson's disease. These pathologies are all related by the propensity of their associated protein or polypeptide to form insoluble, β-sheet rich, amyloid fibrils. Despite the wide range of amino acid sequence in the aggregation prone polypeptides associated with these diseases, the resulting amyloids display strikingly similar physical structure, an observation which suggests a physical basis for amyloid fibril formation. Thioflavin T fluorescence reports β-sheet fibril content while dynamic light scattering measures particle size distributions. The combined techniques allow elucidation of complex aggregation kinetics and are used to reveal multiple stages of amyloid fibril formation.

Kinetic analysis of dynamic PET data

Energy Technology Data Exchange (ETDEWEB)

Knittel, B.

1983-12-01

Our goal is to quantify regional physiological processes such as blood flow and metabolism by means of tracer kinetic modeling and positron emission tomography (PET). Compartmental models are one way of characterizing the behavior of tracers in physiological systems. This paper describes a general method of estimating compartmental model rate constants from measurements of the concentration of tracers in blood and tissue, taken at multiple time intervals. A computer program which applies the method is described, and examples are shown for simulated and actual data acquired from the Donner 280-Crystal Positron Tomograph.

Kinetic analysis of dynamic PET data

International Nuclear Information System (INIS)

Knittel, B.

1983-12-01

Our goal is to quantify regional physiological processes such as blood flow and metabolism by means of tracer kinetic modeling and positron emission tomography (PET). Compartmental models are one way of characterizing the behavior of tracers in physiological systems. This paper describes a general method of estimating compartmental model rate constants from measurements of the concentration of tracers in blood and tissue, taken at multiple time intervals. A computer program which applies the method is described, and examples are shown for simulated and actual data acquired from the Donner 280-Crystal Positron Tomograph

Modeling in applied sciences a kinetic theory approach

CERN Document Server

Pulvirenti, Mario

2000-01-01

Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process Topics and Features * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinet...

Heteroclinic dynamics of coupled semiconductor lasers with optoelectronic feedback.

Science.gov (United States)

Shahin, S; Vallini, F; Monifi, F; Rabinovich, M; Fainman, Y

2016-11-15

Generalized Lotka-Volterra (GLV) equations are important equations used in various areas of science to describe competitive dynamics among a population of N interacting nodes in a network topology. In this Letter, we introduce a photonic network consisting of three optoelectronically cross-coupled semiconductor lasers to realize a GLV model. In such a network, the interaction of intensity and carrier inversion rates, as well as phases of laser oscillator nodes, result in various dynamics. We study the influence of asymmetric coupling strength and frequency detuning between semiconductor lasers and show that inhibitory asymmetric coupling is required to achieve consecutive amplitude oscillations of the laser nodes. These studies were motivated primarily by the dynamical models used to model brain cognitive activities and their correspondence with dynamics obtained among coupled laser oscillators.

Quantitative dynamic ¹⁸FDG-PET and tracer kinetic analysis of soft tissue sarcomas.

Science.gov (United States)

Rusten, Espen; Rødal, Jan; Revheim, Mona E; Skretting, Arne; Bruland, Oyvind S; Malinen, Eirik

2013-08-01

To study soft tissue sarcomas using dynamic positron emission tomography (PET) with the glucose analog tracer [(18)F]fluoro-2-deoxy-D-glucose ((18)FDG), to investigate correlations between derived PET image parameters and clinical characteristics, and to discuss implications of dynamic PET acquisition (D-PET). D-PET images of 11 patients with soft tissue sarcomas were analyzed voxel-by-voxel using a compartment tracer kinetic model providing estimates of transfer rates between the vascular, non-metabolized, and metabolized compartments. Furthermore, standard uptake values (SUVs) in the early (2 min p.i.; SUVE) and late (45 min p.i.; SUVL) phases of the PET acquisition were obtained. The derived transfer rates K1, k2 and k3, along with the metabolic rate of (18)FDG (MRFDG) and the vascular fraction νp, was fused with the computed tomography (CT) images for visual interpretation. Correlations between D-PET imaging parameters and clinical parameters, i.e. tumor size, grade and clinical status, were calculated with a significance level of 0.05. The temporal uptake pattern of (18)FDG in the tumor varied considerably from patient to patient. SUVE peak was higher than SUVL peak for four patients. The images of the rate constants showed a systematic pattern, often with elevated intensity in the tumors compared to surrounding tissue. Significant correlations were found between SUVE/L and some of the rate parameters. Dynamic (18)FDG-PET may provide additional valuable information on soft tissue sarcomas not obtainable from conventional (18)FDG-PET. The prognostic role of dynamic imaging should be investigated.

CALCULATING ROTATING HYDRODYNAMIC AND MAGNETOHYDRODYNAMIC WAVES TO UNDERSTAND MAGNETIC EFFECTS ON DYNAMICAL TIDES

Energy Technology Data Exchange (ETDEWEB)

Wei, Xing, E-mail: xing.wei@sjtu.edu.cn [Institute of Natural Sciences and Department of Physics and Astronomy, Shanghai Jiao Tong University (China); Princeton University Observatory, Princeton, NJ 08544 (United States)

2016-09-01

To understand magnetic effects on dynamical tides, we study the rotating magnetohydrodynamic (MHD) flow driven by harmonic forcing. The linear responses are analytically derived in a periodic box under the local WKB approximation. Both the kinetic and Ohmic dissipations at the resonant frequencies are calculated, and the various parameters are investigated. Although magnetic pressure may be negligible compared to thermal pressure, the magnetic field can be important for the first-order perturbation, e.g., dynamical tides. It is found that the magnetic field splits the resonant frequency, namely the rotating hydrodynamic flow has only one resonant frequency, but the rotating MHD flow has two, one positive and the other negative. In the weak field regime the dissipations are asymmetric around the two resonant frequencies and this asymmetry is more striking with a weaker magnetic field. It is also found that both the kinetic and Ohmic dissipations at the resonant frequencies are inversely proportional to the Ekman number and the square of the wavenumber. The dissipation at the resonant frequency on small scales is almost equal to the dissipation at the non-resonant frequencies, namely the resonance takes its effect on the dissipation at intermediate length scales. Moreover, the waves with phase propagation that is perpendicular to the magnetic field are much more damped. It is also interesting to find that the frequency-averaged dissipation is constant. This result suggests that in compact objects, magnetic effects on tidal dissipation should be considered.

Theoretical analysis and simulation of obstructed breakup of micro-droplet in T-junction under an asymmetric pressure difference

Science.gov (United States)

Fu, Yuhang; Bai, Lin; Jin, Yong; Cheng, Yi

2017-03-01

Asymmetric droplet breakup under a pressure difference at two outlets of a T-junction is investigated theoretically and numerically in this study. An accurate analysis of the evolution of droplet dynamics during the obstructed breakup process has been conducted. Meanwhile, the lattice Boltzmann method based on color gradient model is employed to simulate the system with the verification of the theoretical results. It is demonstrated that the Zou-He boundary setting at each outlet is advantageous for modifying the pressure drop of the two branches of T-junction. The results reveal that asymmetric breakup of the unequally sized droplets follows two steps, namely, the filling stage and the breakup stage. Then a universal parameter is proposed to describe the asymmetric condition of droplet breakup in T-junction, which plays a key role to characterize the temporal evolution of volume ratio and the droplet length of formed smaller droplets.

A dynamic analysis of the demand for health insurance and health care

NARCIS (Netherlands)

Bolhaar, J.A.; van der Klaauw, B.; Lindeboom, M.

2012-01-01

We find that asymmetric information is important for the uptake of supplementary private health insurance and health care utilization. We use dynamic panel data models to investigate the sources of asymmetric information and distinguish short-run selection effects into insurance from long-run

Resonance transport and kinetic entropy

International Nuclear Information System (INIS)

Ivanov, Yu.B.; Knoll, J.; Voskresensky, D.N.

2000-01-01

We continue the description of the dynamics of unstable particles within the real-time formulation of nonequilibrium field theory initiated in a previous paper . There we suggest to use Baym's PHI-functional method in order to achieve approximation schemes with 'built in' consistency with respect to conservation laws and thermodynamics even in the case of particles with finite damping width. Starting from Kadanoff-Baym equations we discuss a consistent first order gradient approach to transport which preserves the PHI-derivable properties. The validity conditions for the resulting quantum four-phase-space kinetic theory are discussed under the perspective to treat particles with broad damping widths. This non-equilibrium dynamics naturally includes all those quantum features already inherent in the corresponding equilibrium limit (e.g. Matsubara formalism) at the same level of PHI-derivable approximation. Various collision-term diagrams are discussed including those of higher order which lead to memory effects. As an important novel part we derive a generalized nonequilibrium expression for the kinetic entropy flow, which includes contributions from fluctuations and mass-width effects. In special cases an H-theorem is derived implying that the entropy can only increase with time. Memory effects in the kinetic terms provide contributions to the kinetic entropy flow that in the equilibrium limit recover the famous bosonic type T 3 lnT correction to the specific heat in the case of Fermi liquids like Helium-3

Multicritical dynamical phase diagrams of the kinetic Blume-Emery-Griffiths model with repulsive biquadratic coupling in an oscillating field

Energy Technology Data Exchange (ETDEWEB)

Temizer, Umuet [Department of Physics, Bozok University, 66100 Yozgat (Turkey); Kantar, Ersin [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

2008-06-15

We study, within a mean-field approach, the stationary states of the kinetic Blume-Emery-Griffiths model with repulsive biquadratic coupling under the presence of a time-varying (sinusoidal) magnetic field. We employ the Glauber-type stochastic dynamics to construct set of dynamic equations of motion. The behavior of the time dependence of the order parameters and the behavior of the average order parameters in a period, which is also called the dynamic order parameters, as functions of the reduced temperature are investigated. The dynamic phase transition points are calculated and phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane. The dynamical transition from one regime to the other can be of first- or second order depending on the region in the phase diagram. According to the values of the crystal field interaction or single-ion anisotropy constant and biquadratic exchange constant, we find 20 fundamental types of phase diagrams which exhibit many dynamic critical points, such as tricritical points, zero-temperature critical points, double critical end points, critical end point, triple point and multicritical point. Moreover, besides a disordered and ordered phases, seven coexistence phase regions exist in the system.

Asymmetric impacts of global risk appetite on the risk premium for an emerging market

Science.gov (United States)

Kanlı, İbrahim Burak

2008-05-01

This paper analyzes the impact of global risk appetite on the risk premium utilizing high-frequency data. Taking the Turkish economy as our laboratory, we find that the risk premium volatility responds only to a worsening in the risk appetite for the Turkish economy, which is a result that we do not observe for the other emerging markets. Then, we investigate the role of current account dynamics on this asymmetric effect, by focusing also on an economy with similar current account performance. The empirical results find supporting evidence for the role of current account dynamics on the estimated asymmetry.

Hemispherically asymmetric trade wind changes as signatures of past ITCZ shifts

Science.gov (United States)

McGee, David; Moreno-Chamarro, Eduardo; Green, Brian; Marshall, John; Galbraith, Eric; Bradtmiller, Louisa

2018-01-01

The atmospheric Hadley cells, which meet at the Intertropical Convergence Zone (ITCZ), play critical roles in transporting heat, driving ocean circulation and supplying precipitation to the most heavily populated regions of the globe. Paleo-reconstructions can provide concrete evidence of how these major features of the atmospheric circulation can change in response to climate perturbations. While most such reconstructions have focused on ITCZ-related rainfall, here we show that trade wind proxies can document dynamical aspects of meridional ITCZ shifts. Theoretical expectations based on angular momentum constraints and results from freshwater hosing simulations with two different climate models predict that ITCZ shifts due to anomalous cooling of one hemisphere would be accompanied by a strengthening of the Hadley cell and trade winds in the colder hemisphere, with an opposite response in the warmer hemisphere. This expectation of hemispherically asymmetric trade wind changes is confirmed by proxy data of coastal upwelling and windblown dust from the Atlantic basin during Heinrich stadials, showing trade wind strengthening in the Northern Hemisphere and weakening in the Southern Hemisphere subtropics in concert with southward ITCZ shifts. Data from other basins show broadly similar patterns, though improved constraints on past trade wind changes are needed outside the Atlantic Basin. The asymmetric trade wind changes identified here suggest that ITCZ shifts are also marked by intensification of the ocean's wind-driven subtropical cells in the cooler hemisphere and a weakening in the warmer hemisphere, which induces cross-equatorial oceanic heat transport into the colder hemisphere. This response would be expected to prevent extreme meridional ITCZ shifts in response to asymmetric heating or cooling. Understanding trade wind changes and their coupling to cross-equatorial ocean cells is key to better constraining ITCZ shifts and ocean and atmosphere dynamical

Coupled channel calculations of K-shell ionization in asymmetric collision systems

International Nuclear Information System (INIS)

Mehler, G.; Greiner, W.; Soff, G.

1986-07-01

We report theoretical results on K-shell ionization for a variety of asymmetric collision systems. The calculated ionization rates are compared with experimental data. The coupled channel formalism underlying these calculations is presented. It is based on a set of relativistic target centred states, taking a screened potential of Dirac-Fock-Slater type into account. We discuss the effects of different matrix elements, e.g. continuum-continuum couplings. The binding effect is inherently contained in our approach and described in a dynamical way. (orig.)

Renewable resource management under asymmetric information

DEFF Research Database (Denmark)

Jensen, Frank; Andersen, Peder; Nielsen, Max

2013-01-01

Asymmetric information between fishermen and the regulator is important within fisheries. The regulator may have less information about stock sizes, prices, costs, effort, productivity and catches than fishermen. With asymmetric information, a strong analytical tool is principal-agent analysis....... In this paper, we study asymmetric information about productivity within a principal-agent framework and a tax on fishing effort is considered. It is shown that a second best optimum can be achieved if the effort tax is designed such that low-productivity agents rent is exhausted, while high-productivity agents...... receive an information rent. The information rent is equivalent to the total incentive cost. The incentive costs arise as we want to reveal the agent's type....

Subcopula-based measure of asymmetric association for contingency tables.

Science.gov (United States)

Wei, Zheng; Kim, Daeyoung

2017-10-30

For the analysis of a two-way contingency table, a new asymmetric association measure is developed. The proposed method uses the subcopula-based regression between the discrete variables to measure the asymmetric predictive powers of the variables of interest. Unlike the existing measures of asymmetric association, the subcopula-based measure is insensitive to the number of categories in a variable, and thus, the magnitude of the proposed measure can be interpreted as the degree of asymmetric association in the contingency table. The theoretical properties of the proposed subcopula-based asymmetric association measure are investigated. We illustrate the performance and advantages of the proposed measure using simulation studies and real data examples. Copyright © 2017 John Wiley & Sons, Ltd.

Assessment of input function distortions on kinetic model parameters in simulated dynamic 82Rb PET perfusion studies

International Nuclear Information System (INIS)

Meyer, Carsten; Peligrad, Dragos-Nicolae; Weibrecht, Martin

2007-01-01

Cardiac 82 rubidium dynamic PET studies allow quantifying absolute myocardial perfusion by using tracer kinetic modeling. Here, the accurate measurement of the input function, i.e. the tracer concentration in blood plasma, is a major challenge. This measurement is deteriorated by inappropriate temporal sampling, spillover, etc. Such effects may influence the measured input peak value and the measured blood pool clearance. The aim of our study is to evaluate the effect of input function distortions on the myocardial perfusion as estimated by the model. To this end, we simulate noise-free myocardium time activity curves (TACs) with a two-compartment kinetic model. The input function to the model is a generic analytical function. Distortions of this function have been introduced by varying its parameters. Using the distorted input function, the compartment model has been fitted to the simulated myocardium TAC. This analysis has been performed for various sets of model parameters covering a physiologically relevant range. The evaluation shows that ±10% error in the input peak value can easily lead to ±10-25% error in the model parameter K 1 , which relates to myocardial perfusion. Variations in the input function tail are generally less relevant. We conclude that an accurate estimation especially of the plasma input peak is crucial for a reliable kinetic analysis and blood flow estimation

Modelling asymmetric growth in crowded plant communities

DEFF Research Database (Denmark)

Damgaard, Christian

2010-01-01

A class of models that may be used to quantify the effect of size-asymmetric competition in crowded plant communities by estimating a community specific degree of size-asymmetric growth for each species in the community is suggested. The model consists of two parts: an individual size......-asymmetric growth part, where growth is assumed to be proportional to a power function of the size of the individual, and a term that reduces the relative growth rate as a decreasing function of the individual plant size and the competitive interactions from other plants in the neighbourhood....

Self-Consistent System of Equations for a Kinetic Description of the Low-Pressure Discharges Accounting for the Nonlocal and Collisionless Electron Dynamics

International Nuclear Information System (INIS)

Kaganovich, Igor D.; Polomarov, Oleg

2003-01-01

In low-pressure discharges, when the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially non-local. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the non-local conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, non-uniform, nearly collisionless plasmas of low-pressure discharges is derived. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. The importance of accounting for the non-uniform plasma density profile on both the current density profile and the EEDF is demonstrated

Asymmetric Frontal Brain Activity and Parental Rejection

NARCIS (Netherlands)

Huffmeijer, R.; Alink, L.R.A.; Tops, M.; Bakermans-Kranenburg, M.J.; van IJzendoorn, M.H.

2013-01-01

Asymmetric frontal brain activity has been widely implicated in reactions to emotional stimuli and is thought to reflect individual differences in approach-withdrawal motivation. Here, we investigate whether asymmetric frontal activity, as a measure of approach-withdrawal motivation, also predicts

Shuttlecock-Shaped Molecular Rectifier: Asymmetric Electron Transport Coupled with Controlled Molecular Motion.

Science.gov (United States)

Ryu, Taekhee; Lansac, Yves; Jang, Yun Hee

2017-07-12

A fullerene derivative with five hydroxyphenyl groups attached around a pentagon, (4-HOC 6 H 4 ) 5 HC 60 (1), has shown an asymmetric current-voltage (I-V) curve in a conducting atomic force microscopy experiment on gold. Such molecular rectification has been ascribed to the asymmetric distribution of frontier molecular orbitals over its shuttlecock-shaped structure. Our nonequilibrium Green's function (NEGF) calculations based on density functional theory (DFT) indeed exhibit an asymmetric I-V curve for 1 standing up between two Au(111) electrodes, but the resulting rectification ratio (RR ∼ 3) is insufficient to explain the wide range of RR observed in experiments performed under a high bias voltage. Therefore, we formulate a hypothesis that high RR (>10) may come from molecular orientation switching induced by a strong electric field applied between two electrodes. Indeed, molecular dynamics simulations of a self-assembled monolayer of 1 on Au(111) show that the orientation of 1 can be switched between standing-up and lying-on-the-side configurations in a manner to align its molecular dipole moment with the direction of the applied electric field. The DFT-NEGF calculations taking into account such field-induced reorientation between up and side configurations indeed yield RR of ∼13, which agrees well with the experimental value obtained under a high bias voltage.

Coupled effects of market impact and asymmetric sensitivity in financial markets

Science.gov (United States)

Zhong, Li-Xin; Xu, Wen-Juan; Ren, Fei; Shi, Yong-Dong

2013-05-01

By incorporating market impact and asymmetric sensitivity into the evolutionary minority game, we study the coevolutionary dynamics of stock prices and investment strategies in financial markets. Both the stock price movement and the investors’ global behavior are found to be closely related to the phase region they fall into. Within the region where the market impact is small, investors’ asymmetric response to gains and losses leads to the occurrence of herd behavior, when all the investors are prone to behave similarly in an extreme way and large price fluctuations occur. A linear relation between the standard deviation of stock price changes and the mean value of strategies is found. With full market impact, the investors tend to self-segregate into opposing groups and the introduction of asymmetric sensitivity leads to the disappearance of dominant strategies. Compared with the situations in the stock market with little market impact, the stock price fluctuations are suppressed and an efficient market occurs. Theoretical analyses indicate that the mechanism of phase transition from clustering to self-segregation in the present model is similar to that in the majority-minority game and the occurrence and disappearance of efficient markets are related to the competition between the trend-following and the trend-aversion forces. The clustering of the strategies in the present model results from the majority-wins effect and the wealth-driven mechanism makes the market become predictable.

Asymmetric dominance and asymmetric mate choice oppose premating isolation after allopatric divergence.

Science.gov (United States)

Sefc, Kristina M; Hermann, Caroline M; Steinwender, Bernd; Brindl, Hanna; Zimmermann, Holger; Mattersdorfer, Karin; Postl, Lisbeth; Makasa, Lawrence; Sturmbauer, Christian; Koblmüller, Stephan

2015-04-01

Assortative mating promotes reproductive isolation and allows allopatric speciation processes to continue in secondary contact. As mating patterns are determined by mate preferences and intrasexual competition, we investigated male-male competition and behavioral isolation in simulated secondary contact among allopatric populations. Three allopatric color morphs of the cichlid fish Tropheus were tested against each other. Dyadic male-male contests revealed dominance of red males over bluish and yellow-blotch males. Reproductive isolation in the presence of male-male competition was assessed from genetic parentage in experimental ponds and was highly asymmetric among pairs of color morphs. Red females mated only with red males, whereas the other females performed variable degrees of heteromorphic mating. Discrepancies between mating patterns in ponds and female preferences in a competition-free, two-way choice paradigm suggested that the dominance of red males interfered with positive assortative mating of females of the subordinate morphs and provoked asymmetric hybridization. Between the nonred morphs, a significant excess of negative assortative mating by yellow-blotch females with bluish males did not coincide with asymmetric dominance among males. Hence, both negative assortative mating preferences and interference of male-male competition with positive assortative preferences forestall premating isolation, the latter especially in environments unsupportive of competition-driven spatial segregation.

The total kinetic energy release in the fast neutron-induced fission of {sup 232}Th

Energy Technology Data Exchange (ETDEWEB)

King, Jonathan; Yanez, Ricardo; Loveland, Walter; Barrett, J. Spencer; Oscar, Breland [Oregon State University, Dept. of Chemistry, Corvallis, OR (United States); Fotiades, Nikolaos; Tovesson, Fredrik; Young Lee, Hye [Los Alamos National Laboratory, Physics Division, Los Alamos, NM (United States)

2017-12-15

The post-emission total kinetic energy release (TKE) in the neutron-induced fission of {sup 232}Th was measured (using white spectrum neutrons from LANSCE) for neutron energies from E{sub n} = 3 to 91 MeV. In this energy range the average post-neutron total kinetic energy release decreases from 162.3 ± 0.3 at E{sub n} = 3 MeV to 154.9 ± 0.3 MeV at E{sub n} = 91 MeV. Analysis of the fission mass distributions indicates that the decrease in TKE with increasing neutron energy is a combination of increasing yields of symmetric fission (which has a lower associated TKE) and a decrease in the TKE release in asymmetric fission. (orig.)

CFD simulation of a four-loop PWR at asymmetric operation conditions

Energy Technology Data Exchange (ETDEWEB)

Cheng, Jian-Ping; Yan, Li-Ming; Li, Feng-Chen, E-mail: lifch@hit.edu.cn

2016-04-15

Highlights: • A CFD numerical simulation procedure was established for simulating RPV of VVER-1000. • The established CFD approach was validated by comparing with available data. • Thermal hydraulic characteristics under asymmetric operation condition were investigated. • Apparent influences of the shutdown loop on its neighboring loops were obtained. - Abstract: The pressurized water reactor (PWR) with multiple loops may have abnormal working conditions with coolant pumps out of running in some loops. In this paper, a computational fluid dynamics (CFD) numerical study of the four-loop VVER-1000 PWR pressure vessel model was presented. Numerical simulations of the thermohydrodynamic characteristics in the pressure vessel were carried out at different inlet conditions with four and three loops running, respectively. At normal stead-state condition (four-loop running), different parameters were obtained for the full fluid domain, including pressure losses across different parts, pressure, velocity and temperature distributions in the reactor pressure vessel (RPV) and mass flow distribution of the coolant at the inlet of reactor core. The obtained results for pressure losses matched with the experimental reference values of the VVER-1000 PWR at Tianwan nuclear power plant (NPP). For most fuel assemblies (FAs), the inlet flow rates presented a symmetrical distribution about the center under full-loop operation conditions, which accorded with the practical distribution. These results indicate that it is now possible to study the dynamic transition process between different asymmetric operation conditions in a multi-loop PWR using the established CFD method.

Chemical kinetic insights into the ignition dynamics of n-hexane

KAUST Repository

Tingas, Alexandros

2017-10-13

Normal alkanes constitute a significant fraction of transportation fuels, and are the primary drivers of ignition processes in gasoline and diesel fuels. Low temperature ignition of n-alkanes is driven by a complex sequence of oxidation reactions, for which detailed mechanisms are still being developed. The current study explores the dynamics of low-temperature ignition of n-hexane/air mixtures, and identifies chemical pathways that characterize the combustion process. Two chemical kinetic mechanisms were selected as a comparative study in order to better understand the role of specific reaction sequences in ignition dynamics: one mechanism including a new third sequential O2 addition reaction pathways (recently proposed by Wang et al. 2017), while the other without (Zhang et al. 2015). The analysis is conducted by applying tools generated from the computational singular perturbation (CSP) approach to two distinct ignition phenomena: constant volume and compression ignition. In both cases, the role of the third sequential O2 addition reactions proves to be significant, although it is found to be much more pronounced in the constant volume cases compared to the HCCI. In particular, in the constant volume ignition case, reactions present in the third sequential O2 addition reaction pathways (e.g., KDHP  →  products + OH) contribute significantly to the explosivity of the mixture; when accounted for along with reactions P(OOH)2 + O2  →  OOP(OOH)2 and OOP(OOH)2  →  KDHP + OH, they decrease ignition delay time of the mixture by up to 40%. Under HCCI conditions, in the first-stage ignition, the third-O2 addition reactions contribute to the process, although their role decays with time and becomes negligible at the end of the first stage. The second ignition stage is dominated almost exclusively by hydrogen-related chemistry.

Design and testing of a novel piezoelectric micro-motor actuated by asymmetrical inertial impact driving principle.

Science.gov (United States)

Zeng, Ping; Sun, Shujie; Li, Li'an; Xu, Feng; Cheng, Guangming

2014-03-01

In this paper, an asymmetrical inertial impact driving principle is first proposed, and accordingly a novel piezoelectrically actuated linear micro-motor is developed. It is driven by the inertial impact force generated by piezoelectric smart cantilever (PSC) with asymmetrical clamping locations during a driving cycle. When the PSC is excited by typical harmonic voltage signals, different equivalent stiffness will be induced due to its asymmetrical clamping locations when it is vibrating back and forth, leading to a tiny displacement difference on the two opposite directions in a cycle, and then the accumulation of tiny displacement difference will allow directional movements. A prototype of the proposed motor has been developed and investigated by means of experimental tests. The motion and dynamics characteristics of the prototype are well studied. The experimental results demonstrate that the resolution of the micro-motor is 0.02 μm, the maximum velocity is 16.87 mm/s, and the maximum loading capacity can reach up to 1 kg with a voltage of 100 V and 35 Hz.

Asymmetric Synthesis via Chiral Aziridines

DEFF Research Database (Denmark)

Tanner, David Ackland; Harden, Adrian; Wyatt, Paul

1996-01-01

A series of chiral bis(aziridines) has been synthesised and evaluated as chelating ligands for a variety of asymmetric transformations mediated by metals [Os (dihydroxylation), Pd (allylic alkylation) Cu (cyclopropanation and aziridination, Li (1,2-addition of organolithiums to imines)]. In the b......A series of chiral bis(aziridines) has been synthesised and evaluated as chelating ligands for a variety of asymmetric transformations mediated by metals [Os (dihydroxylation), Pd (allylic alkylation) Cu (cyclopropanation and aziridination, Li (1,2-addition of organolithiums to imines...

Optimal multicopy asymmetric Gaussian cloning of coherent states

International Nuclear Information System (INIS)

Fiurasek, Jaromir; Cerf, Nicolas J.

2007-01-01

We investigate the asymmetric Gaussian cloning of coherent states which produces M copies from N input replicas in such a way that the fidelity of each copy may be different. We show that the optimal asymmetric Gaussian cloning can be performed with a single phase-insensitive amplifier and an array of beam splitters. We obtain a simple analytical expression characterizing the set of optimal asymmetric Gaussian cloning machines and prove the optimality of these cloners using the formalism of Gaussian completely positive maps and semidefinite programming techniques. We also present an alternative implementation of the asymmetric cloning machine where the phase-insensitive amplifier is replaced with a beam splitter, heterodyne detector, and feedforward

Optimal multicopy asymmetric Gaussian cloning of coherent states

Science.gov (United States)

Fiurášek, Jaromír; Cerf, Nicolas J.

2007-05-01

We investigate the asymmetric Gaussian cloning of coherent states which produces M copies from N input replicas in such a way that the fidelity of each copy may be different. We show that the optimal asymmetric Gaussian cloning can be performed with a single phase-insensitive amplifier and an array of beam splitters. We obtain a simple analytical expression characterizing the set of optimal asymmetric Gaussian cloning machines and prove the optimality of these cloners using the formalism of Gaussian completely positive maps and semidefinite programming techniques. We also present an alternative implementation of the asymmetric cloning machine where the phase-insensitive amplifier is replaced with a beam splitter, heterodyne detector, and feedforward.

Seeking kinetic pathways relevant to the structural evolution of metal nanoparticles

International Nuclear Information System (INIS)

Haldar, Paramita; Chatterjee, Abhijit

2015-01-01

Understanding the kinetic pathways that cause metal nanoparticles to structurally evolve over time is essential for predicting their shape and size distributions and catalytic properties. Consequently, we need detailed kinetic models that can provide such information. Most kinetic Monte Carlo models used for metal systems contain a fixed catalogue of atomic moves; the catalogue is largely constructed based on our physical understanding of the material. In some situations, it is possible that an incorrect picture of the overall dynamics is obtained when kinetic pathways that are relevant to the dynamics are missing from the catalogue. Hence, a computational framework that can systematically determine the relevant pathways is required. This work intends to fulfil this requirement. Examples involving an Ag nanoparticle are studied to illustrate how molecular dynamics (MD) calculations can be employed to find the relevant pathways in a system. Since pathways that are unlikely to be selected at short timescales can become relevant at longer times, the accuracy of the catalogue is maintained by continually seeking these pathways using MD. We discuss various aspects of our approach, namely, defining the relevance of atomic moves to the dynamics and determining when additional MD is required to ensure the desired accuracy, as well as physical insights into the Ag nanoparticle. (paper)

Dynamic nonlinear analysis of shells of revolution

International Nuclear Information System (INIS)

Riesemann, W.A. von; Stricklin, J.A.; Haisler, W.E.

1975-01-01

Over the past few years a series of finite element computer programs have been developed at Texas A and M University for the static and dynamic nonlinear analysis of shells of revolution. This paper discusses one of these, DYNAPLAS, which is a program for the transient response of ring stiffened shells of revolution subjected to either asymmetric initial velocities or to asymmetric pressure loadings. Both material and geometric nonlinearities may be considered. (Auth.)

Learning reduced kinetic Monte Carlo models of complex chemistry from molecular dynamics.

Science.gov (United States)

Yang, Qian; Sing-Long, Carlos A; Reed, Evan J

2017-08-01

We propose a novel statistical learning framework for automatically and efficiently building reduced kinetic Monte Carlo (KMC) models of large-scale elementary reaction networks from data generated by a single or few molecular dynamics simulations (MD). Existing approaches for identifying species and reactions from molecular dynamics typically use bond length and duration criteria, where bond duration is a fixed parameter motivated by an understanding of bond vibrational frequencies. In contrast, we show that for highly reactive systems, bond duration should be a model parameter that is chosen to maximize the predictive power of the resulting statistical model. We demonstrate our method on a high temperature, high pressure system of reacting liquid methane, and show that the learned KMC model is able to extrapolate more than an order of magnitude in time for key molecules. Additionally, our KMC model of elementary reactions enables us to isolate the most important set of reactions governing the behavior of key molecules found in the MD simulation. We develop a new data-driven algorithm to reduce the chemical reaction network which can be solved either as an integer program or efficiently using L1 regularization, and compare our results with simple count-based reduction. For our liquid methane system, we discover that rare reactions do not play a significant role in the system, and find that less than 7% of the approximately 2000 reactions observed from molecular dynamics are necessary to reproduce the molecular concentration over time of methane. The framework described in this work paves the way towards a genomic approach to studying complex chemical systems, where expensive MD simulation data can be reused to contribute to an increasingly large and accurate genome of elementary reactions and rates.

Survey of beta-particle interaction experiments with asymmetric matter

Science.gov (United States)

Van Horn, J. David; Wu, Fei

2018-05-01

Asymmetry is a basic property found at multiple scales in the universe. Asymmetric molecular interactions are fundamental to the operation of biological systems in both signaling and structural roles. Other aspects of asymmetry are observed and useful in many areas of science and engineering, and have been studied since the discovery of chirality in tartrate salts. The observation of parity violation in beta decay provided some impetus for later experiments using asymmetric particles. Here we survey historical work and experiments related to electron (e-) or positron (e+) polarimetry and their interactions with asymmetric materials in gas, liquid and solid forms. Asymmetric interactions may be classified as: 1) stereorecognition, 2) stereoselection and 3) stereoinduction. These three facets of physical stereochemistry are unique but interrelated; and examples from chemistry and materials science illustrate these aspects. Experimental positron and electron interactions with asymmetric materials may be classified in like manner. Thus, a qualitative assessment of helical and polarized positron experiments with different forms of asymmetric matter from the past 40 years is presented, as well as recent experiments with left-hand and right-hand single crystal quartz and organic compounds. The purpose of this classification and review is to evaluate the field for potential new experiments and directions for positron (or electron) studies with asymmetric materials.

Ensemble Kinetic Modeling of Metabolic Networks from Dynamic Metabolic Profiles

Directory of Open Access Journals (Sweden)

Gengjie Jia

2012-11-01

Full Text Available Kinetic modeling of metabolic pathways has important applications in metabolic engineering, but significant challenges still remain. The difficulties faced vary from finding best-fit parameters in a highly multidimensional search space to incomplete parameter identifiability. To meet some of these challenges, an ensemble modeling method is developed for characterizing a subset of kinetic parameters that give statistically equivalent goodness-of-fit to time series concentration data. The method is based on the incremental identification approach, where the parameter estimation is done in a step-wise manner. Numerical efficacy is achieved by reducing the dimensionality of parameter space and using efficient random parameter exploration algorithms. The shift toward using model ensembles, instead of the traditional “best-fit” models, is necessary to directly account for model uncertainty during the application of such models. The performance of the ensemble modeling approach has been demonstrated in the modeling of a generic branched pathway and the trehalose pathway in Saccharomyces cerevisiae using generalized mass action (GMA kinetics.

Spin-charge coupled dynamics driven by a time-dependent magnetization

Science.gov (United States)

Tölle, Sebastian; Eckern, Ulrich; Gorini, Cosimo

2017-03-01

The spin-charge coupled dynamics in a thin, magnetized metallic system are investigated. The effective driving force acting on the charge carriers is generated by a dynamical magnetic texture, which can be induced, e.g., by a magnetic material in contact with a normal-metal system. We consider a general inversion-asymmetric substrate/normal-metal/magnet structure, which, by specifying the precise nature of each layer, can mimic various experimentally employed setups. Inversion symmetry breaking gives rise to an effective Rashba spin-orbit interaction. We derive general spin-charge kinetic equations which show that such spin-orbit interaction, together with anisotropic Elliott-Yafet spin relaxation, yields significant corrections to the magnetization-induced dynamics. In particular, we present a consistent treatment of the spin density and spin current contributions to the equations of motion, inter alia, identifying a term in the effective force which appears due to a spin current polarized parallel to the magnetization. This "inverse-spin-filter" contribution depends markedly on the parameter which describes the anisotropy in spin relaxation. To further highlight the physical meaning of the different contributions, the spin-pumping configuration of typical experimental setups is analyzed in detail. In the two-dimensional limit the buildup of dc voltage is dominated by the spin-galvanic (inverse Edelstein) effect. A measuring scheme that could isolate this contribution is discussed.

Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

Science.gov (United States)

Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

2018-03-01

The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

Association of footprint measurements with plantar kinetics: a linear regression model.

Science.gov (United States)

Fascione, Jeanna M; Crews, Ryan T; Wrobel, James S

2014-03-01

The use of foot measurements to classify morphology and interpret foot function remains one of the focal concepts of lower-extremity biomechanics. However, only 27% to 55% of midfoot variance in foot pressures has been determined in the most comprehensive models. We investigated whether dynamic walking footprint measurements are associated with inter-individual foot loading variability. Thirty individuals (15 men and 15 women; mean ± SD age, 27.17 ± 2.21 years) walked at a self-selected speed over an electronic pedography platform using the midgait technique. Kinetic variables (contact time, peak pressure, pressure-time integral, and force-time integral) were collected for six masked regions. Footprints were digitized for area and linear boundaries using digital photo planimetry software. Six footprint measurements were determined: contact area, footprint index, arch index, truncated arch index, Chippaux-Smirak index, and Staheli index. Linear regression analysis with a Bonferroni adjustment was performed to determine the association between the footprint measurements and each of the kinetic variables. The findings demonstrate that a relationship exists between increased midfoot contact and increased kinetic values in respective locations. Many of these variables produced large effect sizes while describing 38% to 71% of the common variance of select plantar kinetic variables in the medial midfoot region. In addition, larger footprints were associated with larger kinetic values at the medial heel region and both masked forefoot regions. Dynamic footprint measurements are associated with dynamic plantar loading kinetics, with emphasis on the midfoot region.

Asymmetric and nonlinear pass-through of crude oil prices to gasoline and natural gas prices

International Nuclear Information System (INIS)

Atil, Ahmed; Lahiani, Amine; Nguyen, Duc Khuong

2014-01-01

In this article, we use the recently developed nonlinear autoregressive distributed lags (NARDL) model to examine the pass-through of crude oil prices into gasoline and natural gas prices. Our approach allows us to simultaneously test the short- and long-run nonlinearities through positive and negative partial sum decompositions of the predetermined explanatory variables. It also offers the possibility to quantify the respective responses of gasoline and natural gas prices to positive and negative oil price shocks from the asymmetric dynamic multipliers. The obtained results indicate that oil prices affect gasoline prices and natural gas prices in an asymmetric and nonlinear manner, but the price transmission mechanism is not the same. Important policy implications can be learned from the empirical findings. - Highlights: • The pass-through of crude oil prices into gasoline and natural gas prices is examined. • We use a NARDL model to test for the long-run and short-run asymmetric reactions. • Both gasoline and natural gas prices significantly adjust to changes in the price of oil. • Negative oil shocks have greater effects than positive oil shocks. • Policy implications are discussed

Dynamics of entropy perturbations in assisted dark energy with mixed kinetic terms

International Nuclear Information System (INIS)

Karwan, Khamphee

2011-01-01

We study dynamics of entropy perturbations in the two-field assisted dark energy model. Based on the scenario of assisted dark energy, in which one scalar field is subdominant compared with the other in the early epoch, we show that the entropy perturbations in this two-field system tend to be constant on large scales in the early epoch and hence survive until the present era for a generic evolution of both fields during the radiation and matter eras. This behaviour of the entropy perturbations is preserved even when the fields are coupled via kinetic interaction. Since, for assisted dark energy, the subdominant field in the early epoch becomes dominant at late time, the entropy perturbations can significantly influence the dynamics of density perturbations in the universe. Assuming correlations between the entropy and curvature perturbations, the entropy perturbations can enhance the integrated Sachs-Wolfe (ISW) effect if the signs of the contributions from entropy perturbations and curvature perturbations are opposite after the matter era, otherwise the ISW contribution is suppressed. For canonical scalar field the effect of entropy perturbations on ISW effect is small because the initial value of the entropy perturbations estimated during inflation cannot be sufficiently large. However, in the case of k-essence, the initial value of the entropy perturbations can be large enough to affect the ISW effect to leave a significant imprint on the CMB power spectrum

Time-Dependent-Asymmetric-Linear-Parsimonious Ancestral State Reconstruction.

Science.gov (United States)

Didier, Gilles

2017-10-01

The time-dependent-asymmetric-linear parsimony is an ancestral state reconstruction method which extends the standard linear parsimony (a.k.a. Wagner parsimony) approach by taking into account both branch lengths and asymmetric evolutionary costs for reconstructing quantitative characters (asymmetric costs amount to assuming an evolutionary trend toward the direction with the lowest cost). A formal study of the influence of the asymmetry parameter shows that the time-dependent-asymmetric-linear parsimony infers states which are all taken among the known states, except for some degenerate cases corresponding to special values of the asymmetry parameter. This remarkable property holds in particular for the Wagner parsimony. This study leads to a polynomial algorithm which determines, and provides a compact representation of, the parametric reconstruction of a phylogenetic tree, that is for all the unknown nodes, the set of all the possible reconstructed states associated with the asymmetry parameters leading to them. The time-dependent-asymmetric-linear parsimony is finally illustrated with the parametric reconstruction of the body size of cetaceans.

Nonlinear Kinetics on Lattices Based on the Kinetic Interaction Principle

Directory of Open Access Journals (Sweden)

Giorgio Kaniadakis

2018-06-01

Full Text Available Master equations define the dynamics that govern the time evolution of various physical processes on lattices. In the continuum limit, master equations lead to Fokker–Planck partial differential equations that represent the dynamics of physical systems in continuous spaces. Over the last few decades, nonlinear Fokker–Planck equations have become very popular in condensed matter physics and in statistical physics. Numerical solutions of these equations require the use of discretization schemes. However, the discrete evolution equation obtained by the discretization of a Fokker–Planck partial differential equation depends on the specific discretization scheme. In general, the discretized form is different from the master equation that has generated the respective Fokker–Planck equation in the continuum limit. Therefore, the knowledge of the master equation associated with a given Fokker–Planck equation is extremely important for the correct numerical integration of the latter, since it provides a unique, physically motivated discretization scheme. This paper shows that the Kinetic Interaction Principle (KIP that governs the particle kinetics of many body systems, introduced in G. Kaniadakis, Physica A 296, 405 (2001, univocally defines a very simple master equation that in the continuum limit yields the nonlinear Fokker–Planck equation in its most general form.

More symmetrical gait after split-belt treadmill walking does not modify dynamic and postural balance in individuals post-stroke.

Science.gov (United States)

Miéville, Carole; Lauzière, Séléna; Betschart, Martina; Nadeau, Sylvie; Duclos, Cyril

2018-04-24

Spontaneous gait is often asymmetrical in individuals post-stroke, despite their ability to walk more symmetrically on demand. Given the sensorimotor deficits in the paretic limb, this asymmetrical gait may facilitate balance maintenance. We used a split-belt walking protocol to alter gait asymmetry and determine the effects on dynamic and postural balance. Twenty individuals post-stroke walked on a split-belt treadmill. In two separate periods, the effects of walking with the non-paretic leg, and then the paretic one, on the faster belt on spatio-temporal symmetry and balance were compared before and after these perturbation periods. Kinematic and kinetic data were collected using a motion analysis system and an instrumented treadmill to determine symmetry ratios of spatiotemporal parameters and dynamic and postural balance. Balance, quantified by the concepts of stabilizing and destabilizing forces, was compared before and after split-belt walking for subgroups of participants who improved and worsened their symmetry. The side on the slow belt during split-belt walking, but not the changes in asymmetry, affected balance. Difficulty in maintaining balance was higher during stance phase of the leg that was on the slow belt and lower on the contralateral side after split-belt walking, mostly because the center of pressure was closer (higher difficulty) or further (lower difficulty) from the limit of the base of support, respectively. Changes in spatiotemporal parameters may be sought without additional alteration of balance during gait post-stroke. Copyright © 2018 Elsevier Ltd. All rights reserved.

Mechanochemistry assisted asymmetric organocatalysis: A sustainable approach

Directory of Open Access Journals (Sweden)

Pankaj Chauhan

2012-12-01

Full Text Available Ball-milling and pestle and mortar grinding have emerged as powerful methods for the development of environmentally benign chemical transformations. Recently, the use of these mechanochemical techniques in asymmetric organocatalysis has increased. This review highlights the progress in asymmetric organocatalytic reactions assisted by mechanochemical techniques.

Large-scale ruthenium- and enzyme-catalyzed dynamic kinetic resolution of (rac-1-phenylethanol

Directory of Open Access Journals (Sweden)

Bäckvall Jan-E

2007-12-01

Full Text Available Abstract The scale-up of the ruthenium- and enzyme-catalyzed dynamic kinetic resolution (DKR of (rac-1-phenylethanol (2 is addressed. The immobilized lipase Candida antarctica lipase B (CALB was employed for the resolution, which shows high enantioselectivity in the transesterification. The ruthenium catalyst used, (η 5-C5Ph5RuCl(CO2 1, was shown to possess very high reactivity in the "in situ" redox racemization of 1-phenylethanol (2 in the presence of the immobilized enzyme, and could be used in 0.05 mol% with high efficiency. Commercially available isopropenyl acetate was employed as acylating agent in the lipase-catalyzed transesterifications, which makes the purification of the product very easy. In a successful large-scale DKR of 2, with 0.05 mol% of 1, (R-1-phenylethanol acetate (3 was obtained in 159 g (97% yield in excellent enantiomeric excess (99.8% ee.

Improving malignancy prediction in breast lesions with the combination of apparent diffusion coefficient and dynamic contrast-enhanced kinetic descriptors

International Nuclear Information System (INIS)

Nogueira, Luisa; Brandão, Sofia; Matos, Eduarda; Gouveia Nunes, Rita; Ferreira, Hugo Alexandre; Loureiro, Joana; Ramos, Isabel

2015-01-01

Aim: To assess how the joint use of apparent diffusion coefficient (ADC) and kinetic parameters (uptake phase and delayed enhancement characteristics) from dynamic contrast-enhanced (DCE) can boost the ability to predict breast lesion malignancy. Materials and methods: Breast magnetic resonance examinations including DCE and diffusion-weighted imaging (DWI) were performed on 51 women. The association between kinetic parameters and ADC were evaluated and compared between lesion types. Models with binary outcome of malignancy were studied using generalized estimating equations (GEE), (GEE), and using kinetic parameters and ADC values as malignancy predictors. Model accuracy was assessed using the corrected maximum quasi-likelihood under the independence confidence criterion (QICC). Predicted probability of malignancy was estimated for the best model. Results: ADC values were significantly associated with kinetic parameters: medium and rapid uptake phase (p<0.001) and plateau and washout curve types (p=0.004). Comparison between lesion type showed significant differences for ADC (p=0.001), early phase (p<0.001), and curve type (p<0.001). The predicted probabilities of malignancy for the first ADC quartile (≤1.17×10 −3  mm 2 /s) and persistent, plateau and washout curves, were 54.6%, 86.9%, and 97.8%, respectively, and for the third ADC quartile (≥1.51×10 −3  mm 2 /s) were 3.2%, 15.5%, and 54.8%, respectively. The predicted probability of malignancy was less than 5% for 18.8% of the lesions and greater than 33% for 50.7% of the lesions (24/35 lesions, corresponding to a malignancy rate of 68.6%). Conclusion: The best malignancy predictors were low ADCs and washout curves. ADC and kinetic parameters provide differentiated information on the microenvironment of the lesion, with joint models displaying improved predictive performance. -- Highlights: •ADC and kinetic parameters provide diverse information regarding lesion environment. •The best predictors

Ideal 3D asymmetric concentrator

Energy Technology Data Exchange (ETDEWEB)

Garcia-Botella, Angel [Departamento Fisica Aplicada a los Recursos Naturales, Universidad Politecnica de Madrid, E.T.S.I. de Montes, Ciudad Universitaria s/n, 28040 Madrid (Spain); Fernandez-Balbuena, Antonio Alvarez; Vazquez, Daniel; Bernabeu, Eusebio [Departamento de Optica, Universidad Complutense de Madrid, Fac. CC. Fisicas, Ciudad Universitaria s/n, 28040 Madrid (Spain)

2009-01-15

Nonimaging optics is a field devoted to the design of optical components for applications such as solar concentration or illumination. In this field, many different techniques have been used for producing reflective and refractive optical devices, including reverse engineering techniques. In this paper we apply photometric field theory and elliptic ray bundles method to study 3D asymmetric - without rotational or translational symmetry - concentrators, which can be useful components for nontracking solar applications. We study the one-sheet hyperbolic concentrator and we demonstrate its behaviour as ideal 3D asymmetric concentrator. (author)

Asymmetric Threats and Risks of the XXI Century

International Nuclear Information System (INIS)

Doncev, A.

2007-01-01

The rapid technology development in the 21st century has a great influence over the dynamic arm competition, thus threats and risks increasing. They are sublimated in different forms of international terrorism and could produce crisis in the Region, and furthermore all round the world. The international community is faced with new challenges. Now, the territories are not the only targets of attacks. The result of the theoretical and empirical research leads towards to the non-existence of national crisis management capacity. The paper identifies the international scenario which is very complex and unpredictable in the diapason of the asymmetric threats, as well as a new priorities agenda of the international community in the 21st century. Therefore, a risk management model is suggested, too.(author)

The Einstein-Vlasov System/Kinetic Theory

Directory of Open Access Journals (Sweden)

Håkan Andréasson

2002-12-01

Full Text Available The main purpose of this article is to provide a guide to theorems on global properties of solutions to the Einstein-Vlasov system. This system couples Einstein's equations to a kinetic matter model. Kinetic theory has been an important field of research during several decades in which the main focus has been on nonrelativistic and special relativistic physics, i.e., to model the dynamics of neutral gases, plasmas, and Newtonian self-gravitating systems. In 1990, Rendall and Rein initiated a mathematical study of the Einstein-Vlasov system. Since then many theorems on global properties of solutions to this system have been established. The Vlasov equation describes matter phenomenologically, and it should be stressed that most of the theorems presented in this article are not presently known for other such matter models (i.e., fluid models. This paper gives introductions to kinetic theory in non-curved spacetimes and then the Einstein-Vlasov system is introduced. We believe that a good understanding of kinetic theory in non-curved spacetimes is fundamental to good comprehension of kinetic theory in general relativity.

Extracting a kinetic relation from the dynamics of a bistable chain

International Nuclear Information System (INIS)

Zhao, Qingze; Purohit, Prashant K

2014-01-01

We integrate Newton's second law for a chain of masses and bistable springs with a spinodal region with the goal of extracting a kinetic relation for propagating phase boundaries. Our numerical experiments correspond to the impact on a bar made of phase changing material. By reading off the spring extensions ahead and behind the phase boundaries in our numerical experiments, we compute a driving force and plot it as a function of the phase boundary velocity to get a kinetic relation. We then show that this kinetic relation results in solutions to Riemann problems in continuum bars that agree with the corresponding numerical experiments on the discrete mass–spring chain. We also integrate Langevin's equations of motion for the same chain of masses and springs to account for the presence of a heat bath at a fixed temperature. We find that the xt-plane looks similar to the purely mechanical numerical experiments at low temperatures but at high temperatures there is an increased incidence of random nucleation events. Using results from both impact and Riemann problems, we show that the kinetic relation is a function of the bath temperature. (paper)

Microtubule dynamics. II. Kinetics of self-assembly

DEFF Research Database (Denmark)

Flyvbjerg, H.; Jobs, E.

1997-01-01

Inverse scattering theory describes the conditions necessary and sufficient to determine an unknown potential from known scattering data. No similar theory exists for when and how one may deduce the kinetics of an unknown chemical reaction from quantitative information about its final state and i...... to analyze the self-assembly of microtubules from tubulin are general, and many other reactions and processes may be studied as inverse problems with these methods when enough experimental data are available....

Flow chemistry and polymer-supported pseudoenantiomeric acylating agents enable parallel kinetic resolution of chiral saturated N-heterocycles

Science.gov (United States)

Kreituss, Imants; Bode, Jeffrey W.

2017-05-01

Kinetic resolution is a common method to obtain enantioenriched material from a racemic mixture. This process will deliver enantiopure unreacted material when the selectivity factor of the process, s, is greater than 1; however, the scalemic reaction product is often discarded. Parallel kinetic resolution, on the other hand, provides access to two enantioenriched products from a single racemic starting material, but suffers from a variety of practical challenges regarding experimental design that limit its applications. Here, we describe the development of a flow-based system that enables practical parallel kinetic resolution of saturated N-heterocycles. This process provides access to both enantiomers of the starting material in good yield and high enantiopurity; similar results with classical kinetic resolution would require selectivity factors in the range of s = 100. To achieve this, two immobilized quasienantiomeric acylating agents were designed for the asymmetric acylation of racemic saturated N-heterocycles. Using the flow-based system we could efficiently separate, recover and reuse the polymer-supported reagents. The amide products could be readily separated and hydrolysed to the corresponding amines without detectable epimerization.

Asymmetric step-like characteristics in a tilted rocking ratchet potential

International Nuclear Information System (INIS)

Lee, A. Khangjune; Lee, Jong-Rim; Lee, K.H.

2012-01-01

The overdamped Langevin dynamics has been employed to study the directional transport of particles driven in a tilted rocking ratchet potential. The system subjected to a constant direct force undergoes an asymmetrical dynamic transition from a static state to a sliding state at two different critical forces that are consistent with the predicted values. When an additional alternating force is applied to the system, the time-averaged velocity shows several steps of equal height as the direct force increases. These steps are similar to the Shapiro steps in an rf-driven Josephson junction, and appear whenever the system's natural frequency given by the direct force matches an integer multiple of the applied frequency. When the alternating force exceeds a certain critical value which can be also estimated for a slow rocking, a directional motion known as the rectification effect occurs even at zero direct force.

Impact of human milk pasteurization on the kinetics of peptide release during in vitro dynamic term newborn digestion.

Science.gov (United States)

Deglaire, Amélie; De Oliveira, Samira C; Jardin, Julien; Briard-Bion, Valérie; Emily, Mathieu; Ménard, Olivia; Bourlieu, Claire; Dupont, Didier

2016-07-01

Holder pasteurization (62.5°C, 30 min) ensures sanitary quality of donor's human milk but also denatures beneficial proteins. Understanding whether this further impacts the kinetics of peptide release during gastrointestinal digestion of human milk was the aim of the present paper. Mature raw (RHM) or pasteurized (PHM) human milk were digested (RHM, n = 2; PHM, n = 3) by an in vitro dynamic system (term stage). Label-free quantitative peptidomics was performed on milk and digesta (ten time points). Ascending hierarchical clustering was conducted on "Pasteurization × Digestion time" interaction coefficients. Preproteolysis occurred in human milk (159 unique peptides; RHM: 91, PHM: 151), mostly on β-casein (88% of the endogenous peptides). The predicted cleavage number increased with pasteurization, potentially through plasmin activation (plasmin cleavages: RHM, 53; PHM, 76). During digestion, eight clusters resumed 1054 peptides from RHM and PHM, originating for 49% of them from β-casein. For seven clusters (57% of peptides), the kinetics of peptide release differed between RHM and PHM. The parent protein was significantly linked to the clustering (p-value = 1.4 E-09), with β-casein and lactoferrin associated to clusters in an opposite manner. Pasteurization impacted selectively gastric and intestinal kinetics of peptide release in term newborns, which may have further nutritional consequences. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic theory and transport phenomena

CERN Document Server

Soto, Rodrigo

2016-01-01

This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

Kinetic energy spectra, vertical resolution and dissipation in high-resolution atmospheric simulations.

Science.gov (United States)

Skamarock, W. C.

2017-12-01

We have performed week-long full-physics simulations with the MPAS global model at 15 km cell spacing using vertical mesh spacings of 800, 400, 200 and 100 meters in the mid-troposphere through the mid-stratosphere. We find that the horizontal kinetic energy spectra in the upper troposphere and stratosphere does not converge with increasing vertical resolution until we reach 200 meter level spacing. Examination of the solutions indicates that significant inertia-gravity waves are not vertically resolved at the lower vertical resolutions. Diagnostics from the simulations indicate that the primary kinetic energy dissipation results from the vertical mixing within the PBL parameterization and from the gravity-wave drag parameterization, with smaller but significant contributions from damping in the vertical transport scheme and from the horizontal filters in the dynamical core. Most of the kinetic energy dissipation in the free atmosphere occurs within breaking mid-latitude baroclinic waves. We will briefly review these results and their implications for atmospheric model configuration and for atmospheric dynamics, specifically that related to the dynamics associated with the mesoscale kinetic energy spectrum.

Tracer kinetic modelling of tumour angiogenesis based on dynamic contrast-enhanced CT and MRI measurements

Energy Technology Data Exchange (ETDEWEB)

Brix, Gunnar [Federal Office for Radiation Protection, Department of Medical and Occupational Radiation Protection, Oberschleissheim (Germany); Bundesamt fuer Strahlenschutz (BfS), Abteilung fuer medizinischen und beruflichen Strahlenschutz, Oberschleissheim (Germany); Griebel, Juergen [Federal Office for Radiation Protection, Department of Medical and Occupational Radiation Protection, Oberschleissheim (Germany); Kiessling, Fabian [RWTH-Aachen University, Department of Experimental Molecular Imaging, Aachen (Germany); Wenz, Frederik [University Medical Center Mannheim, University of Heidelberg, Department of Radiation Oncology, Mannheim (Germany)

2010-08-15

Technical developments in both magnetic resonance imaging (MRI) and computed tomography (CT) have helped to reduce scan times and expedited the development of dynamic contrast-enhanced (DCE) imaging techniques. Since the temporal change of the image signal following the administration of a diffusible, extracellular contrast agent (CA) is related to the local blood supply and the extravasation of the CA into the interstitial space, DCE imaging can be used to assess tissue microvasculature and microcirculation. It is the aim of this review to summarize the biophysical and tracer kinetic principles underlying this emerging imaging technique offering great potential for non-invasive characterization of tumour angiogenesis. In the first part, the relevant contrast mechanisms are presented that form the basis to relate signal variations measured by serial CT and MRI to local tissue concentrations of the administered CA. In the second part, the concepts most widely used for tracer kinetic modelling of concentration-time courses derived from measured DCE image data sets are described in a consistent and unified manner to highlight their particular structure and assumptions as well as the relationships among them. Finally, the concepts presented are exemplified by the analysis of representative DCE data as well as discussed with respect to present and future applications in cancer diagnosis and therapy. Depending on the specific protocol used for the acquisition of DCE image data and the particular model applied for tracer kinetic analysis of the derived concentration-time courses, different aspects of tumour angiogenesis can be quantified in terms of well-defined physiological tissue parameters. DCE imaging offers promising prospects for improved tumour diagnosis, individualization of cancer treatment as well as the evaluation of novel therapeutic concepts in preclinical and early-stage clinical trials. (orig.)

Asymmetric hindwing foldings in rove beetles.

Science.gov (United States)

Saito, Kazuya; Yamamoto, Shuhei; Maruyama, Munetoshi; Okabe, Yoji

2014-11-18

Foldable wings of insects are the ultimate deployable structures and have attracted the interest of aerospace engineering scientists as well as entomologists. Rove beetles are known to fold their wings in the most sophisticated ways that have right-left asymmetric patterns. However, the specific folding process and the reason for this asymmetry remain unclear. This study reveals how these asymmetric patterns emerge as a result of the folding process of rove beetles. A high-speed camera was used to reveal the details of the wing-folding movement. The results show that these characteristic asymmetrical patterns emerge as a result of simultaneous folding of overlapped wings. The revealed folding mechanisms can achieve not only highly compact wing storage but also immediate deployment. In addition, the right and left crease patterns are interchangeable, and thus each wing internalizes two crease patterns and can be folded in two different ways. This two-way folding gives freedom of choice for the folding direction to a rove beetle. The use of asymmetric patterns and the capability of two-way folding are unique features not found in artificial structures. These features have great potential to extend the design possibilities for all deployable structures, from space structures to articles of daily use.

Molecular analysis of interactions between dendrimers and asymmetric membranes at different transport stages.

Science.gov (United States)

He, XiaoCong; Qu, ZhiGuo; Xu, Feng; Lin, Min; Wang, JiuLing; Shi, XingHua; Lu, TianJian

2014-01-07

Studying dendrimer-biomembrane interactions is important for understanding drug and gene delivery. In this study, coarse-grained molecular dynamics simulations were performed to investigate the behaviors of polyamidoamine (PAMAM) dendrimers (G4 and G5) as they interacted with asymmetric membranes from different sides of the bilayer, thus mimicking different dendrimer transport stages. The G4 dendrimer could insert into the membrane during an equilibrated state, and the G5 dendrimer could induce pore formation in the membrane when the dendrimers interacted with the outer side (outer interactions) of an asymmetric membrane [with 10% dipalmitoyl phosphatidylserine (DPPS) in the inner leaflet of the membrane]. During the interaction with the inner side of the asymmetric membrane (inner interactions), the G4 and G5 dendrimers only adsorbed onto the membrane. As the membrane asymmetry increased (e.g., increased DPPS percentage in the inner leaflet of the membrane), the G4 and G5 dendrimers penetrated deeper into the membrane during the outer interactions and the G4 and G5 dendrimers were adsorbed more tightly onto the membrane for the inner interactions. When the DPPS content reached 50%, the G4 dendrimer could completely penetrate through the membrane from the outer side to the inner side. Our study provides molecular understanding and reference information about different dendrimer transport stages during drug and gene delivery.

Quasiclassical Theory of Spin Dynamics in Superfluid ^3He: Kinetic Equations in the Bulk and Spin Response of Surface Majorana States

Science.gov (United States)

Silaev, M. A.

2018-06-01

We develop a theory based on the formalism of quasiclassical Green's functions to study the spin dynamics in superfluid ^3He. First, we derive kinetic equations for the spin-dependent distribution function in the bulk superfluid reproducing the results obtained earlier without quasiclassical approximation. Then, we consider spin dynamics near the surface of fully gapped ^3He-B-phase taking into account spin relaxation due to the transitions in the spectrum of localized fermionic states. The lifetimes of longitudinal and transverse spin waves are calculated taking into account the Fermi-liquid corrections which lead to a crucial modification of fermionic spectrum and spin responses.

Kinetic theory for strongly coupled Coulomb systems

Science.gov (United States)

Dufty, James; Wrighton, Jeffrey

2018-01-01

The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density-functional theory (DFT) that allow a detailed treatment of electron correlations, but its origin is largely phenomenological; traditional kinetic theories have a more secure foundation but are limited to weak ion-electron interactions. The objective here is to show how a combination of the two evolves naturally from the short-time limit for the generator of the effective single-electron dynamics governing time correlation functions without such limitations. This provides a theoretical context for the current DFT-related approach, the Kubo-Greenwood model, while showing the nature of its corrections. The method is to calculate the short-time dynamics in the single-electron subspace for a given configuration of the ions. This differs from the usual kinetic theory approach in which an average over the ions is performed as well. In this way the effective ion-electron interaction includes strong Coulomb coupling and is shown to be determined from DFT. The correlation functions have the form of the random-phase approximation for an inhomogeneous system but with renormalized ion-electron and electron-electron potentials. The dynamic structure function, density response function, and electrical conductivity are calculated as examples. The static local field corrections in the dielectric function are identified in this way. The current analysis is limited to semiclassical electrons (quantum statistical potentials), so important quantum conditions are excluded. However, a quantization of the kinetic theory is identified for broader application while awaiting its detailed derivation.

The asymmetric relationship between oil revenues and economic activities: The case of oil-exporting countries

International Nuclear Information System (INIS)

Mehrara, Mohsen

2008-01-01

This paper examines the nonlinear or asymmetric relationship between oil revenues and output growth in oil-exporting countries, applying a dynamic panel framework and two different measures of oil shocks. The main results in this paper confirm the stylized facts that in heavily oil-dependent countries lacking the institutional mechanisms de-linking fiscal expenditure from current revenue, oil revenue shocks tend to affect the output in asymmetric and nonlinear ways. The findings suggest that output growth is adversely affected by the negative oil shocks, while oil booms or the positive oil shocks play a limited role in stimulating economic growth. The findings have practical policy implications for decision makers in the area of macroeconomic planning. The use of stabilization and savings funds and diversification of the real sector seems crucial to minimize the harmful effects of oil booms and busts

Direct vector controlled six-phase asymmetrical induction motor with power balanced space vector PWM multilevel operation

DEFF Research Database (Denmark)

Padmanaban, Sanjeevi Kumar; Grandi, Gabriele; Ojo, Joseph Olorunfemi

2016-01-01

In this paper, a six-phase (asymmetrical) machine is investigated, 300 phase displacement is set between two three-phase stator windings keeping deliberately in open-end configuration. Power supply consists of four classical three-phase voltage inverters (VSIs), each one connected to the open......-winding terminals. An original synchronous field oriented control (FOC) algorithm with three variables as degree of freedom is proposed, allowing power sharing among the four VSIs in symmetric/asymmetric conditions. A standard three-level space vector pulse width modulation (SVPWM) by nearest three vector (NTV......) approach was adopted for each couple of VSIs to operate as multilevel output voltage generators. The proposed power sharing algorithm is verified for the ac drive system by observing the dynamic behaviours in different set conditions by complete simulation modelling in software (Matlab...

HIV-1 Env trimer opens through an asymmetric intermediate in which individual protomers adopt distinct conformations.

Science.gov (United States)

Ma, Xiaochu; Lu, Maolin; Gorman, Jason; Terry, Daniel S; Hong, Xinyu; Zhou, Zhou; Zhao, Hong; Altman, Roger B; Arthos, James; Blanchard, Scott C; Kwong, Peter D; Munro, James B; Mothes, Walther

2018-03-21

HIV-1 entry into cells requires binding of the viral envelope glycoprotein (Env) to receptor CD4 and coreceptor. Imaging of individual Env molecules on native virions shows Env trimers to be dynamic, spontaneously transitioning between three distinct well-populated conformational states: a pre-triggered Env (State 1), a default intermediate (State 2) and a three-CD4-bound conformation (State 3), which can be stabilized by binding of CD4 and coreceptor-surrogate antibody 17b. Here, using single-molecule Fluorescence Resonance Energy Transfer (smFRET), we show the default intermediate configuration to be asymmetric, with individual protomers adopting distinct conformations. During entry, this asymmetric intermediate forms when a single CD4 molecule engages the trimer. The trimer can then transition to State 3 by binding additional CD4 molecules and coreceptor.

Asymmetric explosion of core-collapse supernovae

International Nuclear Information System (INIS)

Kazeroni, Remi

2016-01-01

A core-collapse supernova represents the ultimate stage of the evolution of massive stars.The iron core contraction may be followed by a gigantic explosion which gives birth to a neutron star.The multidimensional dynamics of the innermost region, during the first hundreds milliseconds, plays a decisive role on the explosion success because hydrodynamical instabilities are able to break the spherical symmetry of the collapse. Large scale transverse motions generated by two instabilities, the neutrino-driven convection and the Standing Accretion Shock Instability (SASI),increase the heating efficiency up to the point of launching an asymmetric explosion and influencing the birth properties of the neutron star. In this thesis, hydrodynamical instabilities are studied using numerical simulations of simplified models. These models enable a wide exploration of the parameter space and a better physical understanding of the instabilities, generally inaccessible to realistic models.The non-linear regime of SASI is analysed to characterize the conditions under which a spiral mode prevails and to assess its ability to redistribute angular momentum radially.The influence of rotation on the shock dynamics is also addressed. For fast enough rotation rates, a corotation instability overlaps with SASI and greatly impacts the dynamics. The simulations enable to better constrain the effect of non-axisymmetric modes on the angular momentum budget of the iron core collapsing into a neutron star. SASI may under specific conditions spin up or down the pulsar born during the explosion. Finally, an idealised model of the heating region is studied to characterize the non-linear onset of convection by perturbations such as those produced by SASI or pre-collapse combustion inhomogeneities. The dimensionality issue is examined to stress the beneficial consequences of the three-dimensional dynamics on the onset of the explosion. (author) [fr

Kinetics and dynamics of cyclosporine A in three hepatic cell culture systems

NARCIS (Netherlands)

Bellwon, P; Truisi, G L; Bois, Frederic Y; Wilmes, A; Schmidt, T.; Savary, C C; Parmentier, C.C.; Hewitt, P.G.; Schmal, O; Josse, R.; Richert, L.; Guillouzo, A; Mueller, S O; Jennings, P; Testai, E; Dekant, W.

2015-01-01

In vitro experiments have a high potential to improve current chemical safety assessment and reduce the number of animals used. However, most studies conduct hazard assessment alone, largely ignoring exposure and kinetic parameters. Therefore, in this study the kinetics of cyclosporine A (CsA) and

Neutron optical potentials in unstable nuclei and the equation of state of asymmetric nuclear matter

International Nuclear Information System (INIS)

Oyamatsu, K.; Iida, K.

2003-01-01

Neutron single particle potential is one of the basic macroscopic properties to describe structure and reactions of nuclei in nuclear reactors and in the universe. However, the potential is quite uncertain for unstable nuclei primarily because the equation of state (EOS) of asymmetric nuclear matter is not known well. The present authors studied systematically the empirical EOS of asymmetric nuclear matter using a macroscopic nuclear model; about two hundred EOS's having empirically allowed values of L (symmetry energy density derivative coefficient) and K 0 (incompressibility) were obtained from the fittings to masses and radii of stable nuclei. It was suggested that the L value could be determined from global (Z, A) dependence of nuclear radii. In the present study, the single particle potential is examined assuming kinetic energies of non-interacting Fermi gases. The potential in a nucleus can be calculated easily, once the density distribution is solved using the effective nuclear interaction (EOS). Neutron and proton single particle potentials are calculated systematically for 80 Ni using the two hundred EOS's. It is found that the neutron-proton potential difference has clear and appreciable L dependence, while the potential for each species does not show such simple dependence on L. (author)

Asymmetric Aldol Additions: A Guided-Inquiry Laboratory Activity on Catalysis

Science.gov (United States)

King, Jorge H. Torres; Wang, Hong; Yezierski, Ellen J.

2018-01-01

Despite the importance of asymmetric catalysis in both the pharmaceutical and commodity chemicals industries, asymmetric catalysis is under-represented in undergraduate chemistry laboratory curricula. A novel guided-inquiry experiment based on the asymmetric aldol addition was developed. Students conduct lab work to compare the effectiveness of…

Multipartite asymmetric quantum cloning

International Nuclear Information System (INIS)

Iblisdir, S.; Gisin, N.; Acin, A.; Cerf, N.J.; Filip, R.; Fiurasek, J.

2005-01-01

We investigate the optimal distribution of quantum information over multipartite systems in asymmetric settings. We introduce cloning transformations that take N identical replicas of a pure state in any dimension as input and yield a collection of clones with nonidentical fidelities. As an example, if the clones are partitioned into a set of M A clones with fidelity F A and another set of M B clones with fidelity F B , the trade-off between these fidelities is analyzed, and particular cases of optimal N→M A +M B cloning machines are exhibited. We also present an optimal 1→1+1+1 cloning machine, which is an example of a tripartite fully asymmetric cloner. Finally, it is shown how these cloning machines can be optically realized

A novel approach to study effects of asymmetric stiffness on parametric instabilities of multi-rotor-system

Science.gov (United States)

Jain, Anuj Kumar; Rastogi, Vikas; Agrawal, Atul Kumar

2018-01-01

The main focus of this paper is to study effects of asymmetric stiffness on parametric instabilities of multi-rotor-system through extended Lagrangian formalism, where symmetries are broken in terms of the rotor stiffness. The complete insight of dynamic behaviour of multi-rotor-system with asymmetries is evaluated through extension of Lagrangian equation with a case study. In this work, a dynamic mathematical model of a multi-rotor-system through a novel approach of extension of Lagrangian mechanics is developed, where the system is having asymmetries due to varying stiffness. The amplitude and the natural frequency of the rotor are obtained analytically through the proposed methodology. The bond graph modeling technique is used for modeling the asymmetric rotor. Symbol-shakti® software is used for the simulation of the model. The effects of the stiffness of multi-rotor-system on amplitude and frequencies are studied using numerical simulation. Simulation results show a considerable agreement with the theoretical results obtained through extended Lagrangian formalism. It is further shown that amplitude of the rotor increases inversely the stiffness of the rotor up to a certain limit, which is also affirmed theoretically.

Seasonally asymmetric enhancement of northern vegetation productivity

Science.gov (United States)

Park, T.; Myneni, R.

2017-12-01

Multiple evidences of widespread greening and increasing terrestrial carbon uptake have been documented. In particular, enhanced gross productivity of northern vegetation has been a critical role leading to observed carbon uptake trend. However, seasonal photosynthetic activity and its contribution to observed annual carbon uptake trend and interannual variability are not well understood. Here, we introduce a multiple-source of datasets including ground, atmospheric and satellite observations, and multiple process-based global vegetation models to understand how seasonal variation of land surface vegetation controls a large-scale carbon exchange. Our analysis clearly shows a seasonally asymmetric enhancement of northern vegetation productivity in growing season during last decades. Particularly, increasing gross productivity in late spring and early summer is obvious and dominant driver explaining observed trend and variability. We observe more asymmetric productivity enhancement in warmer region and this spatially varying asymmetricity in northern vegetation are likely explained by canopy development rate, thermal and light availability. These results imply that continued warming may facilitate amplifying asymmetric vegetation activity and cause these trends to become more pervasive, in turn warming induced regime shift in northern land.

Asymmetric three-dimensional topography over mantle plumes.

Science.gov (United States)

Burov, Evgueni; Gerya, Taras

2014-09-04

The role of mantle-lithosphere interactions in shaping surface topography has long been debated. In general, it is supposed that mantle plumes and vertical mantle flows result in axisymmetric, long-wavelength topography, which strongly differs from the generally asymmetric short-wavelength topography created by intraplate tectonic forces. However, identification of mantle-induced topography is difficult, especially in the continents. It can be argued therefore that complex brittle-ductile rheology and stratification of the continental lithosphere result in short-wavelength modulation and localization of deformation induced by mantle flow. This deformation should also be affected by far-field stresses and, hence, interplay with the 'tectonic' topography (for example, in the 'active/passive' rifting scenario). Testing these ideas requires fully coupled three-dimensional numerical modelling of mantle-lithosphere interactions, which so far has not been possible owing to the conceptual and technical limitations of earlier approaches. Here we present new, ultra-high-resolution, three-dimensional numerical experiments on topography over mantle plumes, incorporating a weakly pre-stressed (ultra-slow spreading), rheologically realistic lithosphere. The results show complex surface evolution, which is very different from the smooth, radially symmetric patterns usually assumed as the canonical surface signature of mantle upwellings. In particular, the topography exhibits strongly asymmetric, small-scale, three-dimensional features, which include narrow and wide rifts, flexural flank uplifts and fault structures. This suggests a dominant role for continental rheological structure and intra-plate stresses in controlling dynamic topography, mantle-lithosphere interactions, and continental break-up processes above mantle plumes.

Critical behavior near the Mott transition in the half-filled asymmetric Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Hoang, Anh-Tuan, E-mail: hatuan@iop.vast.ac.vn [Institute of Physics, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Le, Duc-Anh [Faculty of Physics, Hanoi National University of Education, Xuan Thuy 136, Cau Giay, Hanoi 10000 (Viet Nam)

2016-03-15

We study the half-filled asymmetric Hubbard model within the two-site dynamical mean field theory. At zero temperature, explicit expressions of the critical interaction U{sub c} for the Mott transition and the local self-energy are analytically derived. Critical behavior of the quasiparticle weights and the double occupancy are obtained analytically as functions of the on-site interaction U and the hopping asymmetry r. Our results are in good agreement with the ones obtained by much more sophisticated theory.

Asymmetric Price Responses of Gasoline Stations. Evidence for Heterogeneity of Retailers

Energy Technology Data Exchange (ETDEWEB)

Faber, R.P. [Erasmus University Rotterdam, Rotterdam (Netherlands)

2009-11-15

This paper studies asymmetric price responses of individual firms, via daily retail prices of almost all gasoline stations in the Netherlands and suggested prices of the five largest oil companies over more than two years. I find that 38% of the stations respond asymmetrically to changes in the spot market price. Hence, asymmetric pricing is not a feature of the market as a whole, but of individual firms. For asymmetrically pricing stations, the asymmetry is substantial directly after a change but disappears after one or two days. I study station-specific characteristics and conclude that asymmetric pricing seems to be a phenomenon that is randomly distributed across stations. I also find that none of the five largest oil companies adjust their suggested prices asymmetrically.

Asymmetric Price Responses of Gasoline Stations. Evidence for Heterogeneity of Retailers

International Nuclear Information System (INIS)

Faber, R.P.

2009-11-01

This paper studies asymmetric price responses of individual firms, via daily retail prices of almost all gasoline stations in the Netherlands and suggested prices of the five largest oil companies over more than two years. I find that 38% of the stations respond asymmetrically to changes in the spot market price. Hence, asymmetric pricing is not a feature of the market as a whole, but of individual firms. For asymmetrically pricing stations, the asymmetry is substantial directly after a change but disappears after one or two days. I study station-specific characteristics and conclude that asymmetric pricing seems to be a phenomenon that is randomly distributed across stations. I also find that none of the five largest oil companies adjust their suggested prices asymmetrically.

Experimental research of kinetic and dynamic characteristics of temperature movements of machines

Science.gov (United States)

Parfenov, I. V.; Polyakov, A. N.

2018-03-01

Nowadays, the urgency of informational support of machines at different stages of their life cycle is increasing in the form of various experimental characteristics that determine the criteria for working capacity. The effectiveness of forming the base of experimental characteristics of machines is related directly to the duration of their field tests. In this research, the authors consider a new technique that allows reducing the duration of full-scale testing of machines by 30%. To this end, three new indicator coefficients were calculated in real time to determine the moments corresponding to the characteristic points. In the work, new terms for thermal characteristics of machine tools are introduced: kinetic and dynamic characteristics of the temperature movements of the machine. This allow taking into account not only the experimental values for the temperature displacements of the elements of the carrier system of the machine, but also their derivatives up to the third order, inclusively. The work is based on experimental data obtained in the course of full-scale thermal tests of a drilling-milling and boring CNC machine.

Molecular dynamics study of the nanosized droplet spreading: The effect of the contact line forces on the kinetic energy dissipation

Energy Technology Data Exchange (ETDEWEB)

Yoon, Hong Min [Department of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Kondaraju, Sasidhar [Department of Mechanical Science, Indian Institute of Technology Bhubaneswar, Bhubaneswar, Odisha 751013 (India); Lee, Jung Shin [Department of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Suh, Youngho; Lee, Joonho H. [Samsung Electronics, Mechatronics R& D Center, Hwaseong-si, Gyeonggi-do 445-330 (Korea, Republic of); Lee, Joon Sang, E-mail: joonlee@yonsei.ac.kr [Department of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)

2017-07-01

Highlights: • Contact line forces, including friction and spreading forces are directly calculated. • Overall trends of variations in contact line forces during droplet spreading process show characteristics of contact line forces. • Detail relations of contact line forces and atomic kinetics in the contact line provide a clear evidence of the possible energy dissipation mechanism in droplet spreading process. - Abstract: Recent studies have revealed that contact line forces play an important role in the droplet spreading process. Despite their significance, the physics related to them has been studied only indirectly and the effect of contact line forces is still being disputed. We performed a molecular dynamics simulation and mimicked the droplet spreading process at the nanoscale. Based on the results of the simulation, the contact line forces were directly calculated. We found that the forces acting on the bulk and the contact line region showed different trends. Distinct positive and negative forces, contact line spreading, and friction forces were observed near the contact line. We also observed a strong dependency of the atomic kinetics in the contact line region on the variations in the contact line forces. The atoms of the liquid in the contact line region lost their kinetic energy due to the contact line friction force and became partially immobile on the solid surface. The results of the current study will be useful for understanding the role of the contact line forces on the kinetic energy dissipation in the contact line region.

Molecular dynamics study of the nanosized droplet spreading: The effect of the contact line forces on the kinetic energy dissipation

International Nuclear Information System (INIS)

Yoon, Hong Min; Kondaraju, Sasidhar; Lee, Jung Shin; Suh, Youngho; Lee, Joonho H.; Lee, Joon Sang

2017-01-01

Highlights: • Contact line forces, including friction and spreading forces are directly calculated. • Overall trends of variations in contact line forces during droplet spreading process show characteristics of contact line forces. • Detail relations of contact line forces and atomic kinetics in the contact line provide a clear evidence of the possible energy dissipation mechanism in droplet spreading process. - Abstract: Recent studies have revealed that contact line forces play an important role in the droplet spreading process. Despite their significance, the physics related to them has been studied only indirectly and the effect of contact line forces is still being disputed. We performed a molecular dynamics simulation and mimicked the droplet spreading process at the nanoscale. Based on the results of the simulation, the contact line forces were directly calculated. We found that the forces acting on the bulk and the contact line region showed different trends. Distinct positive and negative forces, contact line spreading, and friction forces were observed near the contact line. We also observed a strong dependency of the atomic kinetics in the contact line region on the variations in the contact line forces. The atoms of the liquid in the contact line region lost their kinetic energy due to the contact line friction force and became partially immobile on the solid surface. The results of the current study will be useful for understanding the role of the contact line forces on the kinetic energy dissipation in the contact line region.

Observation of asymmetric electromagnetic field profiles in chiral metamaterials

Science.gov (United States)

Hisamoto, Nobuyuki; Ueda, Tetsuya; Sawada, Kei; Tomita, Satoshi

2018-02-01

We experimentally observe asymmetric electromagnetic field profiles along two-dimensional chiral metamaterials. The asymmetric field profiles depending on the chirality and the operation frequency have been reproduced well by the numerical simulation. Around a chiral meta-atom, distribution of a Poynting vector is found to be shifted asymmetrically. These results are explained in terms of an analogy with the side-jump mechanism in the electronic anomalous Hall systems.

Study of asymmetric fission yield behavior from neutron-deficient Hg isotope

International Nuclear Information System (INIS)

Perkasa, Y. S.; Waris, A.; Kurniadi, R.; Su'ud, Z.

2014-01-01

A study of asymmetric fission yield behavior from a neutron-deficient Hg isotope has been conducted. The fission yield calculation of the neutron-deficient Hg isotope using Brownian Metropolis shape had showed unusual result at decreasing energy. In this paper, this interesting feature will be validated by using nine degree of scission shapes parameterization from Brosa model that had been implemented in TALYS nuclear reaction code. This validation is intended to show agreement between both model and the experiment result. The expected result from these models considered to be different due to dynamical properties that implemented in both models

Resistivity recovery simulations of electron-irradiated iron: Kinetic Monte Carlo versus cluster dynamics

International Nuclear Information System (INIS)

Dalla Torre, J.; Fu, C.-C.; Willaime, F.; Barbu, A.; Bocquet, J.-L.

2006-01-01

The isochronal resistivity recovery in high purity α-iron irradiated by electrons was successfully reproduced by a multiscale modelling approach. The stability and mobility of small self-defect clusters determined by ab initio methods were used as input data for an event based Kinetic Monte Carlo (KMC) model, used to explore the defect population evolution during the annealing and to extract the resistivity recovery peaks. In this paper, we investigate the possibility of using an efficient mesoscale model, the Cluster Dynamics (CD), instead of KMC in this approach. The comparison between the two methods for various CD initial conditions shows the importance of spatial correlations between defects, which are neglected in the CD model. However, using appropriate initial conditions, e.g. starting from the concentration of Frenkel pairs after the uncorrelated stage I E , the CD model captures the main characteristics of subsequent defect population evolution, and it can therefore be used for fast and semi-quantitative investigations

Kinetic modeling of the effect of solids retention time on methanethiol dynamics in anaerobic digestion.

Science.gov (United States)

Zhang, Dian; Strawn, Mary; Novak, John T; Wang, Zhi-Wu

2018-07-01

The highly volatile methanethiol (MT) with an extremely low odor threshold and distinctive putrid smell is often identified as a major odorous compound generated under anaerobic conditions. As an intermediate compound in the course of anaerobic digestion, the extent of MT emission is closely related to the time of anaerobic reaction. In this study, lab-scale anaerobic digesters were operated at solids retention time (SRTs) of 15, 20, 25, 30, 40 and 50 days to investigate the effect of SRT on MT emission. The experimental results demonstrated a bell-shaped curve of MT emission versus SRT with a peak around 20 days SRT. In order to understand this SRT effect, a kinetic model was developed to describe MT production and utilization dynamics in the course of anaerobic digestion and calibrated with the experimental results collected from this study. The model outcome revealed that the high protein content in the feed sludge together with the large maintenance coefficient of MT fermenters are responsible for the peak MT emission emergence in the range of typical SRT used for anaerobic digestion. A further analysis of the kinetic model shows that it can be extensively simplified with reasonable approximation to a form that anaerobic digestion practitioners could easily use to predict the MT and SRT relationship. Copyright © 2018 Elsevier Ltd. All rights reserved.

A new convenient asymmetric approach to herbarumin Ⅲ

Institute of Scientific and Technical Information of China (English)

Xue Song Chen; Shi Jun Da; Li Hong Yang; Bo Yan Xu; Zhi Xiang Xie; Ying Li

2007-01-01

The asymmetric total synthesis of herbarumin Ⅲ 3, a naturally occurred phytotoxin, along with 8-epi-herbarumin Ⅲ 22, was succeeded in 12 steps from n-butyraldehyde based on Brown's asymmetric allylation, taking modified Julia olefination and Yamaguchi's macro-lactonization as key steps.

Fourier synthesis of asymmetrical optical potentials for atoms

International Nuclear Information System (INIS)

Ritt, G.

2007-01-01

In this work a dissipationless asymmetrical optical potential for cold atoms was produced. In a first step a new type of optical lattice was generated, whose spatial periodicity only corresponds to a quarter of the wavelength of the light used for the generation. This corresponds to the half of the periodicity of a conventional optical lattice, which is formed by the light of the same wavelength. The generation of this new type of optical lattice was reached by the use of two degenerated raman transitions. Virtual processes occur, in which four photons are involved. In conventional optical lattices however virtual two-photon processes occur. By spatially superimposing this optical lattice with a conventional optical lattice an asymmetrical optical potential could be formed. By diffraction of a Bose Einstein condensate of rubidium atoms at the transient activated asymmetrical potential the asymmetrical structure was proven. (orig.)

Multicharged Ion-induced simple molecule fragmentation dynamics; Dynamique de la fragmentation de molecules simples induite par impact d'ion multicharge

Energy Technology Data Exchange (ETDEWEB)

Tarisien, M

2003-10-01

The aim of this work is to study the dynamics of swift multicharged ion-induced fragmentation of diatomic (CO) and triatomic (CO{sub 2}) molecules. Performed at the GANIL facility, this study used the Recoil Ion Momentum Spectroscopy technique (RIMS), which consists of a time-of-flight mass spectrometer, coupled with a multi-hit capability position sensitive detector (delay line anode). The high-resolution measurement of the kinetic energy distribution released (KER) during the CO fragmentation points out the limitation of the Coulomb Explosion Model, revealing, for example, the di-cation CO{sub 2}{sup +} electronic state contribution in the case of C{sup +}/O{sup +} fragmentation pathway. Furthermore, the multi-ionization cross section dependence with the orientation of the internuclear axis of CO is compared with a geometrical model calculation. Finally, different behaviours are observed for the dissociation dynamics of a triatomic molecule (CO{sub 2}). While triple ionization leads mainly to a synchronous concerted fragmentation dynamics, a weak fraction of dissociating molecule follows a sequential dynamics involving CO{sub 2}{sup +} metastable states. In the case of double ionization, (CO{sub 2}){sup 2+} di-cation dissociation dynamics is asynchronously concerted and has been interpreted using a simple model involving an asymmetrical vibration of the molecule. (author)

Dosimetric and qualitative analysis of kinetic properties of millennium 80 multileaf collimator system for dynamic intensity modulated radiotherapy treatments

Directory of Open Access Journals (Sweden)

Bhardwaj Anup

2007-01-01

Full Text Available The aim of this paper is to analyze the positional accuracy, kinetic properties of the dynamic multileaf collimator (MLC and dosimetric evaluation of fractional dose delivery for the intensity modulated radiotherapy (IMRT for step and shoot and sliding window (dynamic techniques of Varian multileaf collimator millennium 80. Various quality assurance tests such as accuracy in leaf positioning and speed, stability of dynamic MLC output, inter and intra leaf transmission, dosimetric leaf separation and multiple carriage field verification were performed. Evaluation of standard field patterns as pyramid, peaks, wedge, chair, garden fence test, picket fence test and sweeping gap output was done. Patient dose quality assurance procedure consists of an absolute dose measurement for all fields at 5 cm depth on solid water phantom using 0.6cc water proof ion chamber and relative dose verification using Kodak EDR-2 films for all treatment fields along transverse and coronal direction using IMRT phantom. The relative dose verification was performed using Omni Pro IMRT film verification software. The tests performed showed acceptable results for commissioning the millennium 80 MLC and Clinac DHX for dynamic and step and shoot IMRT treatments.

Engineered Asymmetric Composite Membranes with Rectifying Properties.

Science.gov (United States)

Wen, Liping; Xiao, Kai; Sainath, Annadanam V Sesha; Komura, Motonori; Kong, Xiang-Yu; Xie, Ganhua; Zhang, Zhen; Tian, Ye; Iyoda, Tomokazu; Jiang, Lei

2016-01-27

Asymmetric composite membranes with rectifying properties are developed by grafting pH-stimulus-responsive materials onto the top layer of the composite structure, which is prepared by two novel block copolymers using a phase-separation technique. This engineered asymmetric composite membrane shows potential applications in sensors, filtration, and nanofluidic devices. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic resolution and stereoselective synthesis of 3-substituted aspartic acids by using engineered methylaspartate ammonia lyases.

Science.gov (United States)

Raj, Hans; Szymanski, Wiktor; de Villiers, Jandré; Puthan Veetil, Vinod; Quax, Wim J; Shimamoto, Keiko; Janssen, Dick B; Feringa, Ben L; Poelarends, Gerrit J

2013-08-19

Enzymatic amino acid synthesis: Kinetic resolution and asymmetric synthesis of various valuable 3-substituted aspartic acids, which were obtained in fair to good yields with diastereomeric ratio values of up to >98:2 and enantiomeric excess values of up to >99 %, by using engineered methylaspartate ammonia lyases are described. These biocatalytic methodologies for the selective preparation of aspartic acid derivatives appear to be attractive alternatives for existing chemical methods. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies.

Science.gov (United States)

Bardhan, Jaydeep P; Jungwirth, Pavel; Makowski, Lee

2012-09-28

Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular "linear response" model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution).

Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies

Science.gov (United States)

Bardhan, Jaydeep P.; Jungwirth, Pavel; Makowski, Lee

2012-01-01

Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular “linear response” model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution). PMID:23020318

Variable angle asymmetric cut monochromator

International Nuclear Information System (INIS)

Smither, R.K.; Fernandez, P.B.

1993-09-01

A variable incident angle, asymmetric cut, double crystal monochromator was tested for use on beamlines at the Advanced Photon Source (APS). For both undulator and wiggler beams the monochromator can expand area of footprint of beam on surface of the crystals to 50 times the area of incident beam; this will reduce the slope errors by a factor of 2500. The asymmetric cut allows one to increase the acceptance angle for incident radiation and obtain a better match to the opening angle of the incident beam. This can increase intensity of the diffracted beam by a factor of 2 to 5 and can make the beam more monochromatic, as well. The monochromator consists of two matched, asymmetric cut (18 degrees), silicon crystals mounted so that they can be rotated about three independent axes. Rotation around the first axis controls the Bragg angle. The second rotation axis is perpendicular to the diffraction planes and controls the increase of the area of the footprint of the beam on the crystal surface. Rotation around the third axis controls the angle between the surface of the crystal and the wider, horizontal axis for the beam and can make the footprint a rectangle with a minimum. length for this area. The asymmetric cut is 18 degrees for the matched pair of crystals, which allows one to expand the footprint area by a factor of 50 for Bragg angles up to 19.15 degrees (6 keV for Si[111] planes). This monochromator, with proper cooling, will be useful for analyzing the high intensity x-ray beams produced by both undulators and wigglers at the APS

Modelling opinion formation by means of kinetic equations

OpenAIRE

Boudin , Laurent; Salvarani , Francesco

2010-01-01

In this chapter, we review some mechanisms of opinion dynamics that can be modelled by kinetic equations. Beside the sociological phenomenon of compromise, naturally linked to collisional operators of Boltzmann kind, many other aspects, already mentioned in the sociophysical literature or no, can enter in this framework. While describing some contributions appeared in the literature, we enlighten some mathematical tools of kinetic theory that can be useful in the context of sociophysics.

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

Science.gov (United States)

Nguyen, Howard; Willacy, Karen; Allen, Mark

2012-01-01

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

Vlasov simulations of kinetic Alfvén waves at proton kinetic scales

Energy Technology Data Exchange (ETDEWEB)

Vásconez, C. L. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Observatorio Astronómico de Quito, Escuela Politécnica Nacional, Quito (Ecuador); Valentini, F.; Veltri, P. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Camporeale, E. [Centrum Wiskunde and Informatica, Amsterdam (Netherlands)

2014-11-15

Kinetic Alfvén waves represent an important subject in space plasma physics, since they are thought to play a crucial role in the development of the turbulent energy cascade in the solar wind plasma at short wavelengths (of the order of the proton gyro radius ρ{sub p} and/or inertial length d{sub p} and beyond). A full understanding of the physical mechanisms which govern the kinetic plasma dynamics at these scales can provide important clues on the problem of the turbulent dissipation and heating in collisionless systems. In this paper, hybrid Vlasov-Maxwell simulations are employed to analyze in detail the features of the kinetic Alfvén waves at proton kinetic scales, in typical conditions of the solar wind environment (proton plasma beta β{sub p} = 1). In particular, linear and nonlinear regimes of propagation of these fluctuations have been investigated in a single-wave situation, focusing on the physical processes of collisionless Landau damping and wave-particle resonant interaction. Interestingly, since for wavelengths close to d{sub p} and β{sub p} ≃ 1 (for which ρ{sub p} ≃ d{sub p}) the kinetic Alfvén waves have small phase speed compared to the proton thermal velocity, wave-particle interaction processes produce significant deformations in the core of the particle velocity distribution, appearing as phase space vortices and resulting in flat-top velocity profiles. Moreover, as the Eulerian hybrid Vlasov-Maxwell algorithm allows for a clean almost noise-free description of the velocity space, three-dimensional plots of the proton velocity distribution help to emphasize how the plasma departs from the Maxwellian configuration of thermodynamic equilibrium due to nonlinear kinetic effects.

Dynamic range broadening for photomultipliers in kinetic spectrophotometry

International Nuclear Information System (INIS)

Rumas, V.K.

1983-01-01

The circuit of switching on a photomultiplier with prestage modulation developed for kinetic spectrophotometry purposes is described. Distinguishing features of the scheme are wide range of control pulse duration (40 nc - 2.5 mc) and direct transistor photostart by laser light pulse. In the case of PM prestage modulation for the second dynode modulation depth attains 400 while PM opening time constitutes 40 nc

Point Genetics: A New Concept to Assess Neutron Kinetics

International Nuclear Information System (INIS)

Klein Meulekamp, R.; Kuijper, J.C.; Schikorr, M.

2005-01-01

Point genetic equations are introduced. These equations are similar to the well-known point kinetic equations but characterize and couple individual fission generations in subcritical systems. Point genetic equations are able to describe dynamic behavior of source-driven subcritical systems on shorter timescales than is possible with point kinetic equations. Point genetic parameters can be used as a first-order characterization of the system and can be calculated using standard Monte Carlo techniques; the implementation in other calculational schemes seems straightforward. A Godiva sphere is considered to show the applicability of the point genetic equations in describing a detector response on short timescales. For this system the point genetic parameters are calculated and compared with reference calculations. Typical dynamic source behavior is considered by studying a transient in which the neutron source energy decreases from 20 to 1 MeV. For all cases studied, the point genetic equations are compared to full space-time kinetic solutions, and it is shown that point genetics performs well

Fundamental aspects of plasma chemical physics kinetics

CERN Document Server

Capitelli, Mario; Colonna, Gianpiero; Esposito, Fabrizio; Gorse, Claudine; Hassouni, Khaled; Laricchiuta, Annarita; Longo, Savino

2016-01-01

Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the...

Fractional Dynamics Applications of Fractional Calculus to Dynamics of Particles, Fields and Media

CERN Document Server

Tarasov, Vasily E

2010-01-01

"Fractional Dynamics: Applications of Fractional Calculus to Dynamics of Particles, Fields and Media" presents applications of fractional calculus, integral and differential equations of non-integer orders in describing systems with long-time memory, non-local spatial and fractal properties. Mathematical models of fractal media and distributions, generalized dynamical systems and discrete maps, non-local statistical mechanics and kinetics, dynamics of open quantum systems, the hydrodynamics and electrodynamics of complex media with non-local properties and memory are considered. This book is intended to meet the needs of scientists and graduate students in physics, mechanics and applied mathematics who are interested in electrodynamics, statistical and condensed matter physics, quantum dynamics, complex media theories and kinetics, discrete maps and lattice models, and nonlinear dynamics and chaos. Dr. Vasily E. Tarasov is a Senior Research Associate at Nuclear Physics Institute of Moscow State University and...

Some concepts in condensed phase chemical kinetics

International Nuclear Information System (INIS)

Adelman, S.A.

1986-01-01

Some concepts in condensed phase chemical kinetics which have emerged from a recent rigorous statistical mechanical treatment of condensed phase chemical reaction dynamics (S.A. Adelman, Adv. Chem. Phys.53:61 (1983)) are discussed in simple physical terms

Estimating kinetic parameters from dynamic contrast-enhanced T(1)-weighted MRI of a diffusable tracer: standardized quantities and symbols

DEFF Research Database (Denmark)

Tofts, P.S.; Brix, G; Buckley, D.L.

1999-01-01

We describe a standard set of quantity names and symbols related to the estimation of kinetic parameters from dynamic contrast-enhanced T(1)-weighted magnetic resonance imaging data, using diffusable agents such as gadopentetate dimeglumine (Gd-DTPA). These include a) the volume transfer constant K......-limited conditions K(trans) equals the blood plasma flow per unit volume of tissue; under permeability-limited conditions K(trans) equals the permeability surface area product per unit volume of tissue. We relate these quantities to previously published work from our groups; our future publications will refer...

Dual mechanism controls asymmetric spindle position in ascidian germ cell precursors.

Science.gov (United States)

Prodon, François; Chenevert, Janet; Hébras, Céline; Dumollard, Rémi; Faure, Emmanuel; Gonzalez-Garcia, Jose; Nishida, Hiroki; Sardet, Christian; McDougall, Alex

2010-06-01

Mitotic spindle orientation with respect to cortical polarity cues generates molecularly distinct daughter cells during asymmetric cell division (ACD). However, during ACD it remains unknown how the orientation of the mitotic spindle is regulated by cortical polarity cues until furrowing begins. In ascidians, the cortical centrosome-attracting body (CAB) generates three successive unequal cleavages and the asymmetric segregation of 40 localized postplasmic/PEM RNAs in germ cell precursors from the 8-64 cell stage. By combining fast 4D confocal fluorescence imaging with gene-silencing and classical blastomere isolation experiments, we show that spindle repositioning mechanisms are active from prometaphase until anaphase, when furrowing is initiated in B5.2 cells. We show that the vegetal-most spindle pole/centrosome is attracted towards the CAB during prometaphase, causing the spindle to position asymmetrically near the cortex. Next, during anaphase, the opposite spindle pole/centrosome is attracted towards the border with neighbouring B5.1 blastomeres, causing the spindle to rotate (10 degrees /minute) and migrate (3 microm/minute). Dynamic 4D fluorescence imaging of filamentous actin and plasma membrane shows that precise orientation of the cleavage furrow is determined by this second phase of rotational spindle displacement. Furthermore, in pairs of isolated B5.2 blastomeres, the second phase of rotational spindle displacement was lost. Finally, knockdown of PEM1, a protein localized in the CAB and required for unequal cleavage in B5.2 cells, completely randomizes spindle orientation. Together these data show that two separate mechanisms active during mitosis are responsible for spindle positioning, leading to precise orientation of the cleavage furrow during ACD in the cells that give rise to the germ lineage in ascidians.

On the dynamics of k-essence models

International Nuclear Information System (INIS)

Jorge, Pedro; Mimoso, Jose P; Wands, David

2007-01-01

We investigate cosmological dynamics of models with higher-order corrections to the canonical (second-order) kinetic lagrangian for a scalar field, which have been termed k -essence . We study the qualitative dynamics of simple purely kinetic k-essence models and find that the simplest attempts to construct non-singular cosmological models by including higher-order terms in the kinetic lagrangian fail because of a different type of singularity where the scalar field theory becomes ill-defined

Decrease in back strength in asymmetric trunk postures

NARCIS (Netherlands)

Vink, P.; Daanen, H. A M; Meijst, W. J.; Ligteringen, J.

1992-01-01

The extension force against resistance was recorded in 23 postures for 12 subjects to find explanations for the decrease in back strength in asymmetric postures. A reduction in muscle force in asymmetric postures was found up to 40%, but was strongly dependent on the plane in which asymmetry

Nucleation theory with delayed interactions: an application to the early stages of the receptor-mediated adhesion/fusion kinetics of lipid vesicles.

Science.gov (United States)

Raudino, Antonio; Pannuzzo, Martina

2010-01-28

A semiquantitative theory aimed to describe the adhesion kinetics between soft objects, such as living cells or vesicles, has been developed. When rigid bodies are considered, the adhesion kinetics is successfully described by the classical Derjaguin, Landau, Verwey, and Overbeek (DLVO) picture, where the energy profile of two approaching bodies is given by a two asymmetrical potential wells separated by a barrier. The transition probability from the long-distance to the short-distance minimum defines the adhesion rate. Conversely, soft bodies might follow a different pathway to reach the short-distance minimum: thermally excited fluctuations give rise to local protrusions connecting the approaching bodies. These transient adhesion sites are stabilized by short-range adhesion forces (e.g., ligand-receptor interactions between membranes brought at contact distance), while they are destabilized both by repulsive forces and by the elastic deformation energy. Above a critical area of the contact site, the adhesion forces prevail: the contact site grows in size until the complete adhesion of the two bodies inside a short-distance minimum is attained. This nucleation mechanism has been developed in the framework of a nonequilibrium Fokker-Planck picture by considering both the adhesive patch growth and dissolution processes. In addition, we also investigated the effect of the ligand-receptor pairing kinetics at the adhesion site in the time course of the patch expansion. The ratio between the ligand-receptor pairing kinetics and the expansion rate of the adhesion site is of paramount relevance in determining the overall nucleation rate. The theory enables one to self-consistently include both thermodynamics (energy barrier height) and dynamic (viscosity) parameters, giving rise in some limiting cases to simple analytical formulas. The model could be employed to rationalize fusion kinetics between vesicles, provided the short-range adhesion transition is the rate

Improved Kinetic Models for High-Speed Combustion Simulation

National Research Council Canada - National Science Library

Montgomery, C. J; Tang, Q; Sarofim, A. F; Bockelie, M. J; Gritton, J. K; Bozzelli, J. W; Gouldin, F. C; Fisher, E. M; Chakravarthy, S

2008-01-01

Report developed under an STTR contract. The overall goal of this STTR project has been to improve the realism of chemical kinetics in computational fluid dynamics modeling of hydrocarbon-fueled scramjet combustors...

Light asymmetric dark matter from new strong dynamics

DEFF Research Database (Denmark)

Frandsen, Mads Toudal; Sarkar, Subir; Schmidt-Hoberg, Kai

2011-01-01

A ~5 GeV `dark baryon' with a cosmic asymmetry similar to that of baryons is a natural candidate for the dark matter. We study the possibility of generating such a state through dynamical electroweak symmetry breaking, and show that it can share the relic baryon asymmetry via sphaleron interactions...

Subglottic cysts and asymmetrical subglottic narrowing on neck radiograph

International Nuclear Information System (INIS)

Holinger, L.D.; Torium, D.M.; Anandappa, E.C.

1988-01-01

The congenital subglottic hemangioma typically appears as an asymmetric subglottic narrowing or mass on frontal neck radiograph. Therefore, soft tissue neck radiography has been advocated as a definitive non-operative approach for diagnosing these lesions. However, we have noted similar asymmetric subglottic narrowing in patients with acquired subglottic cysts. These retention cysts occur following long-term intubation in the neonate. The mechanism probably involves subglottic fibrosis which obstructs glands with subsequent cyst formation. Acquired subglottic cysts typically appear as an asymmetric narrowing on frontal or lateral soft tissue neck radiographs. These lesions may produce airway compromise but are effectively treated by forceps or laser removal. Acquired subglottic cysts must be included in the differential diagnosis of asymmetric subglottic narrowing. The definitive diagnosis is made by direct laryngoscopy, not soft tissue neck radiograph. (orig.)

Lower Bounds in the Asymmetric External Memory Model

DEFF Research Database (Denmark)

Jacob, Riko; Sitchinava, Nodari

2017-01-01

Motivated by the asymmetric read and write costs of emerging non-volatile memory technologies, we study lower bounds for the problems of sorting, permuting and multiplying a sparse matrix by a dense vector in the asymmetric external memory model (AEM). Given an AEM with internal (symmetric) memory...... of size M, transfers between symmetric and asymmetric memory in blocks of size B and the ratio ω between write and read costs, we show Ω(min (N, ωN/B logω M/B N/B) lower bound for the cost of permuting N input elements. This lower bound also applies to the problem of sorting N elements. This proves...

Sub-minute kinetics of human red cell fumarase: 1 H spin-echo NMR spectroscopy and 13 C rapid-dissolution dynamic nuclear polarization.

Science.gov (United States)

Shishmarev, Dmitry; Wright, Alan J; Rodrigues, Tiago B; Pileio, Giuseppe; Stevanato, Gabriele; Brindle, Kevin M; Kuchel, Philip W

2018-03-01

Fumarate is an important probe of metabolism in hyperpolarized magnetic resonance imaging and spectroscopy. It is used to detect the release of fumarase in cancer tissues, which is associated with necrosis and drug treatment. Nevertheless, there are limited reports describing the detailed kinetic studies of this enzyme in various cells and tissues. Thus, we aimed to evaluate the sub-minute kinetics of human red blood cell fumarase using nuclear magnetic resonance (NMR) spectroscopy, and to provide a quantitative description of the enzyme that is relevant to the use of fumarate as a probe of cell rupture. The fumarase reaction was studied using time courses of 1 H spin-echo and 13 C-NMR spectra. 1 H-NMR experiments showed that the fumarase reaction in hemolysates is sufficiently rapid to make its kinetics amenable to study in a period of approximately 3 min, a timescale characteristic of hyperpolarized 13 C-NMR spectroscopy. The rapid-dissolution dynamic nuclear polarization (RD-DNP) technique was used to hyperpolarize [1,4- 13 C]fumarate, which was injected into concentrated hemolysates. The kinetic data were analyzed using recently developed FmR α analysis and modeling of the enzymatic reaction using Michaelis-Menten equations. In RD-DNP experiments, the decline in the 13 C-NMR signal from fumarate, and the concurrent rise and fall of that from malate, were captured with high spectral resolution and signal-to-noise ratio, which allowed the robust quantification of fumarase kinetics. The kinetic parameters obtained indicate the potential contribution of hemolysis to the overall rate of the fumarase reaction when 13 C-NMR RD-DNP is used to detect necrosis in animal models of implanted tumors. The analytical procedures developed will be applicable to studies of other rapid enzymatic reactions using conventional and hyperpolarized substrate NMR spectroscopy. Copyright © 2018 John Wiley & Sons, Ltd.

A proposed experimental search for chameleons using asymmetric parallel plates

International Nuclear Information System (INIS)

Burrage, Clare; Copeland, Edmund J.; Stevenson, James A.

2016-01-01

Light scalar fields coupled to matter are a common consequence of theories of dark energy and attempts to solve the cosmological constant problem. The chameleon screening mechanism is commonly invoked in order to suppress the fifth forces mediated by these scalars, sufficiently to avoid current experimental constraints, without fine tuning. The force is suppressed dynamically by allowing the mass of the scalar to vary with the local density. Recently it has been shown that near future cold atoms experiments using atom-interferometry have the ability to access a large proportion of the chameleon parameter space. In this work we demonstrate how experiments utilising asymmetric parallel plates can push deeper into the remaining parameter space available to the chameleon.

A proposed experimental search for chameleons using asymmetric parallel plates

Energy Technology Data Exchange (ETDEWEB)

Burrage, Clare; Copeland, Edmund J.; Stevenson, James A., E-mail: Clare.Burrage@nottingham.ac.uk, E-mail: ed.copeland@nottingham.ac.uk, E-mail: james.stevenson@nottingham.ac.uk [School of Physics and Astronomy, University of Nottingham, Nottingham, NG7 2RD (United Kingdom)

2016-08-01

Light scalar fields coupled to matter are a common consequence of theories of dark energy and attempts to solve the cosmological constant problem. The chameleon screening mechanism is commonly invoked in order to suppress the fifth forces mediated by these scalars, sufficiently to avoid current experimental constraints, without fine tuning. The force is suppressed dynamically by allowing the mass of the scalar to vary with the local density. Recently it has been shown that near future cold atoms experiments using atom-interferometry have the ability to access a large proportion of the chameleon parameter space. In this work we demonstrate how experiments utilising asymmetric parallel plates can push deeper into the remaining parameter space available to the chameleon.

Numerical simulations of subcritical reactor kinetics in thermal hydraulic transient phases