Multiscale coupling:challenges and opportunities
HE Guowei; XIA Mengfen; KE Fuju; BAI Yilong
2004-01-01
Multiscale coupling is ubiquitous in nature and attracts broad interests of scientists from mathematicians, physicists, machinists, chemists to biologists. However, much less attention has been paid to its intrinsic implication. In this paper, multiscale coupling is introduced by studying two typical examples in classic mechanics: fluid turbulence and solid failure. The nature of multiscale coupling in the two examples lies in their physical diversities and strong coupling over wide-range scales. The theories of dynamical system and statistical mechanics provide fundamental methods for the multiscale coupling problems. The diverse multiscale couplings call for unified approaches and might expedite new concepts, theories and disciplines.
Multiscale coupling of molecular dynamics and peridynamics
Tong, Qi; Li, Shaofan
2016-10-01
We propose a multiscale computational model to couple molecular dynamics and peridynamics. The multiscale coupling model is based on a previously developed multiscale micromorphic molecular dynamics (MMMD) theory, which has three dynamics equations at three different scales, namely, microscale, mesoscale, and macroscale. In the proposed multiscale coupling approach, we divide the simulation domain into atomistic region and macroscale region. Molecular dynamics is used to simulate atom motions in atomistic region, and peridynamics is used to simulate macroscale material point motions in macroscale region, and both methods are nonlocal particle methods. A transition zone is introduced as a messenger to pass the information between the two regions or scales. We employ the "supercell" developed in the MMMD theory as the transition element, which is named as the adaptive multiscale element due to its ability of passing information from different scales, because the adaptive multiscale element can realize both top-down and bottom-up communications. We introduce the Cauchy-Born rule based stress evaluation into state-based peridynamics formulation to formulate atomistic-enriched constitutive relations. To mitigate the issue of wave reflection on the interface, a filter is constructed by switching on and off the MMMD dynamic equations at different scales. Benchmark tests of one-dimensional (1-D) and two-dimensional (2-D) wave propagations from atomistic region to macro region are presented. The mechanical wave can transit through the interface smoothly without spurious wave deflections, and the filtering process is proven to be efficient.
Dougherty, Edward T; Turner, James C; Vogel, Frank
2014-01-01
Transcranial direct current stimulation (tDCS) continues to demonstrate success as a medical intervention for neurodegenerative diseases, psychological conditions, and traumatic brain injury recovery. One aspect of tDCS still not fully comprehended is the influence of the tDCS electric field on neural functionality. To address this issue, we present a mathematical, multiscale model that couples tDCS administration to neuron electrodynamics. We demonstrate the model's validity and medical applicability with computational simulations using an idealized two-dimensional domain and then an MRI-derived, three-dimensional human head geometry possessing inhomogeneous and anisotropic tissue conductivities. We exemplify the capabilities of these simulations with real-world tDCS electrode configurations and treatment parameters and compare the model's predictions to those attained from medical research studies. The model is implemented using efficient numerical strategies and solution techniques to allow the use of fine computational grids needed by the medical community.
Edward T. Dougherty
2014-01-01
Full Text Available Transcranial direct current stimulation (tDCS continues to demonstrate success as a medical intervention for neurodegenerative diseases, psychological conditions, and traumatic brain injury recovery. One aspect of tDCS still not fully comprehended is the influence of the tDCS electric field on neural functionality. To address this issue, we present a mathematical, multiscale model that couples tDCS administration to neuron electrodynamics. We demonstrate the model’s validity and medical applicability with computational simulations using an idealized two-dimensional domain and then an MRI-derived, three-dimensional human head geometry possessing inhomogeneous and anisotropic tissue conductivities. We exemplify the capabilities of these simulations with real-world tDCS electrode configurations and treatment parameters and compare the model’s predictions to those attained from medical research studies. The model is implemented using efficient numerical strategies and solution techniques to allow the use of fine computational grids needed by the medical community.
Wavelet correlations to reveal multiscale coupling in geophysical systems
Casagrande, Erik; Miralles, Diego; Entekhabi, Dara; Molini, Annalisa
2015-01-01
The interactions between climate and the environment are highly complex. Due to this complexity, process-based models are often preferred to estimate the net magnitude and directionality of interactions in the Earth System. However, these models are based on simplifications of our understanding of nature, thus are unavoidably imperfect. Conversely, observation-based data of climatic and environmental variables are becoming increasingly accessible over large scales due to the progress of space-borne sensing technologies and data-assimilation techniques. Albeit uncertain, these data enable the possibility to start unraveling complex multivariable, multiscale relationships if the appropriate statistical methods are applied. Here, we investigate the potential of the wavelet cross-correlation method as a tool for identifying multiscale interactions, feedback and regime shifts in geophysical systems. The ability of wavelet cross-correlation to resolve the fast and slow components of coupled systems is tested on syn...
Eric T. Chung
2015-12-01
Full Text Available In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1 the development of a mass conservative GMsFEM for the coupled flow and transport; (2 the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.
Chung, Eric
2015-12-11
In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.
Multiscale Universal Interface: A Concurrent Framework for Coupling Heterogeneous Solvers
Tang, Yu-Hang; Bian, Xin; Li, Zhen; Karniadakis, George E
2014-01-01
Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and c...
Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers
Tang, Yu-Hang; Kudo, Shuhei; Bian, Xin; Li, Zhen; Karniadakis, George Em
2015-09-01
Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. In the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM).
Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers
Tang, Yu-Hang, E-mail: yuhang_tang@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Kudo, Shuhei, E-mail: shuhei-kudo@outlook.jp [Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe, 657-8501 (Japan); Bian, Xin, E-mail: xin_bian@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Li, Zhen, E-mail: zhen_li@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Karniadakis, George Em, E-mail: george_karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI (United States); Collaboratory on Mathematics for Mesoscopic Modeling of Materials, Pacific Northwest National Laboratory, Richland, WA 99354 (United States)
2015-09-15
Graphical abstract: - Abstract: Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. In the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM)
Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation
Tchelepi, Hamdi
2014-11-14
A multiscale linear-solver framework for the pressure equation associated with flow in highly heterogeneous porous formations was developed. The multiscale based approach is cast in a general algebraic form, which facilitates integration of the new scalable linear solver in existing flow simulators. The Algebraic Multiscale Solver (AMS) is employed as a preconditioner within a multi-stage strategy. The formulations investigated include the standard MultiScale Finite-Element (MSFE) andMultiScale Finite-Volume (MSFV) methods. The local-stage solvers include incomplete factorization and the so-called Correction Functions (CF) associated with the MSFV approach. Extensive testing of AMS, as an iterative linear solver, indicate excellent convergence rates and computational scalability. AMS compares favorably with advanced Algebraic MultiGrid (AMG) solvers for highly detailed three-dimensional heterogeneous models. Moreover, AMS is expected to be especially beneficial in solving time-dependent problems of coupled multiphase flow and transport in large-scale subsurface formations.
Multilingual interfaces for parallel coupling in multiphysics and multiscale systems.
Ong, E. T.; Larson, J. W.; Norris, B.; Jacob, R. L.; Tobis, M.; Steder, M.; Mathematics and Computer Science; Univ. of Wisconsin; Australian National Univ.; Univ. of Chicago
2007-01-01
Multiphysics and multiscale simulation systems are emerging as a new grand challenge in computational science, largely because of increased computing power provided by the distributed-memory parallel programming model on commodity clusters. These systems often present a parallel coupling problem in their intercomponent data exchanges. Another potential problem in these coupled systems is language interoperability between their various constituent codes. In anticipation of combined parallel coupling/language interoperability challenges, we have created a set of interlanguage bindings for a successful parallel coupling library, the Model Coupling Toolkit. We describe the method used for automatically generating the bindings using the Babel language interoperability tool, and illustrate with short examples how MCT can be used from the C++ and Python languages. We report preliminary performance reports for the MCT interpolation benchmark. We conclude with a discussion of the significance of this work to the rapid prototyping of large parallel coupled systems.
A Bidirectional Coupling Procedure Applied to Multiscale Respiratory Modeling.
Kuprat, A P; Kabilan, S; Carson, J P; Corley, R A; Einstein, D R
2013-07-01
In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFD) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the Modified Newton's Method with nonlinear Krylov accelerator developed by Carlson and Miller [1, 2, 3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a "pressure-drop" residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural pressure applied to the multiple sets
A bidirectional coupling procedure applied to multiscale respiratory modeling
Kuprat, A. P.; Kabilan, S.; Carson, J. P.; Corley, R. A.; Einstein, D. R.
2013-07-01
In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFDs) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the modified Newton's method with nonlinear Krylov accelerator developed by Carlson and Miller [1], Miller [2] and Scott and Fenves [3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a "pressure-drop" residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural
A Bidirectional Coupling Procedure Applied to Multiscale Respiratory Modeling☆
Kuprat, A.P.; Kabilan, S.; Carson, J.P.; Corley, R.A.; Einstein, D.R.
2012-01-01
In this study, we present a novel multiscale computational framework for efficiently linking multiple lower-dimensional models describing the distal lung mechanics to imaging-based 3D computational fluid dynamics (CFD) models of the upper pulmonary airways in order to incorporate physiologically appropriate outlet boundary conditions. The framework is an extension of the Modified Newton’s Method with nonlinear Krylov accelerator developed by Carlson and Miller [1, 2, 3]. Our extensions include the retention of subspace information over multiple timesteps, and a special correction at the end of a timestep that allows for corrections to be accepted with verified low residual with as little as a single residual evaluation per timestep on average. In the case of a single residual evaluation per timestep, the method has zero additional computational cost compared to uncoupled or unidirectionally coupled simulations. We expect these enhancements to be generally applicable to other multiscale coupling applications where timestepping occurs. In addition we have developed a “pressure-drop” residual which allows for stable coupling of flows between a 3D incompressible CFD application and another (lower-dimensional) fluid system. We expect this residual to also be useful for coupling non-respiratory incompressible fluid applications, such as multiscale simulations involving blood flow. The lower-dimensional models that are considered in this study are sets of simple ordinary differential equations (ODEs) representing the compliant mechanics of symmetric human pulmonary airway trees. To validate the method, we compare the predictions of hybrid CFD-ODE models against an ODE-only model of pulmonary airflow in an idealized geometry. Subsequently, we couple multiple sets of ODEs describing the distal lung to an imaging-based human lung geometry. Boundary conditions in these models consist of atmospheric pressure at the mouth and intrapleural pressure applied to the multiple
Andrade, JosÃÂ© E; Rudnicki, John W
2012-12-14
In this project, a predictive multiscale framework will be developed to simulate the strong coupling between solid deformations and fluid diffusion in porous rocks. We intend to improve macroscale modeling by incorporating fundamental physical modeling at the microscale in a computationally efficient way. This is an essential step toward further developments in multiphysics modeling, linking hydraulic, thermal, chemical, and geomechanical processes. This research will focus on areas where severe deformations are observed, such as deformation bands, where classical phenomenology breaks down. Multiscale geometric complexities and key geomechanical and hydraulic attributes of deformation bands (e.g., grain sliding and crushing, and pore collapse, causing interstitial fluid expulsion under saturated conditions), can significantly affect the constitutive response of the skeleton and the intrinsic permeability. Discrete mechanics (DEM) and the lattice Boltzmann method (LBM) will be used to probe the microstructure---under the current state---to extract the evolution of macroscopic constitutive parameters and the permeability tensor. These evolving macroscopic constitutive parameters are then directly used in continuum scale predictions using the finite element method (FEM) accounting for the coupled solid deformation and fluid diffusion. A particularly valuable aspect of this research is the thorough quantitative verification and validation program at different scales. The multiscale homogenization framework will be validated using X-ray computed tomography and 3D digital image correlation in situ at the Advanced Photon Source in Argonne National Laboratories. Also, the hierarchical computations at the specimen level will be validated using the aforementioned techniques in samples of sandstone undergoing deformation bands.
Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation
Hou, Thomas [California Inst. of Technology (CalTech), Pasadena, CA (United States); Efendiev, Yalchin [Stanford Univ., CA (United States); Tchelepi, Hamdi [Texas A & M Univ., College Station, TX (United States); Durlofsky, Louis [Stanford Univ., CA (United States)
2016-05-24
Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scale basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics.
Multi-Scale Coupling in Ocean and Climate Modeling
Zhengyu Liu, Leslie Smith
2009-08-14
We have made significant progress on several projects aimed at understanding multi-scale dynamics in geophysical flows. Large-scale flows in the atmosphere and ocean are influenced by stable density stratification and rotation. The presence of stratification and rotation has important consequences through (i) the conservation of potential vorticity q = {omega} {center_dot} {del} {rho}, where {omega} is the total vorticity and {rho} is the density, and (ii) the existence of waves that affect the redistribution of energy from a given disturbance to the flow. Our research is centered on quantifying the effects of potential vorticity conservation and of wave interactions for the coupling of disparate time and space scales in the oceans and the atmosphere. Ultimately we expect the work to help improve predictive capabilities of atmosphere, ocean and climate modelers. The main findings of our research projects are described.
A Coupled Multiscale Model of Texture Evolution and Plastic Anisotropy
Gawad, J.; Van Bael, A.; Yerra, S. K.; Samaey, G.; Van Houtte, P.; Roose, D.
2010-06-01
In this paper we present a multiscale model of a plastic deformation process in which the anisotropy of plastic properties is related to the evolution of the crystallographic texture. The model spans several length scales from the macroscopic deformation of the workpiece to the microscale interactions between individual grains in a polycrystalline material. The macroscopic behaviour of the material is described by means of a Finite Element (FE) model. Plastic anisotropy is taken into account in a constitutive law, based on the concept of a plastic potential in strain rate space. The coefficients of a sixth-order Facet equation are determined using the Taylor theory, provided that the current crystallographic texture at a given FE integration point is known. Texture evolution in the FE integration points is predicted by an ALAMEL micromechanical model. Mutual interactions between coarse and fine scale are inherent in the physics of the deformation process. These dependencies are taken into account by full bidirectional coupling in the model. Therefore, the plastic deformation influences the crystallographic texture and the evolution of the texture induces anisotropy of the macroscopic deformation. The presented approach enables an adaptive texture and yield surface update scheme with respect to the local plastic deformation in the FE integration points. Additionally, the computational cost related to the updates of the constitutive law is reduced by application of parallel computing techniques. Suitability of on-demand computing for this computational problem is discussed. The parallelisation strategy addresses both distributed memory and shared memory architectures. The cup drawing process has been simulated using the multiscale model outlined above. The discussion of results includes the analysis of the planar anisotropy in the cup and the influence of complex deformation path on texture development. Evolution of texture at selected material points is assessed as
Xu Qingyan; Zhang Hang; Liu Baicheng
2014-01-01
As the key parts of an aero-engine, single crystal (SX) superalloy turbine blades have been the focus of much attention. However, casting defects often occur during the manufacturing process of the SX turbine blades. Modeling and simulation technology can help to optimize the manufacturing process of SX blades. Multiscale coupled models were proposed and used to simulate the physical phenomena occurring during the directional solidification (DS) process. Coupled with heat transfer (macroscale) and grain growth (meso-scale), 3D dendritic grain growth was calculated to show the competitive grain growth at micro-scale. SX grain selection behavior was studied by the simulation and experiments. The results show that the geometrical structure and technical parameters had strong inlfuences on the grain selection effectiveness. Based on the coupled models, heat transfer, grain growth and microstructure evolution of a complex holow SX blade were simulated. Both the simulated and experimental results show that the stray grain occurred at the platform of the SX blade when a constant withdrawal rate was used in manufacturing process. In order to avoid the formation of the stray crystal, the multi-scale coupled models and the withdrawal rate optimized technique were applied to the same SX turbine blade. The modeling results indicated that the optimized variable withdrawal rate can achieve SX blade castings with no stray grains, which was also proved by the experiments.
Xu Qingyan
2014-07-01
Full Text Available As the key parts of an aero-engine, single crystal (SX superalloy turbine blades have been the focus of much attention. However, casting defects often occur during the manufacturing process of the SX turbine blades. Modeling and simulation technology can help to optimize the manufacturing process of SX blades. Multiscale coupled models were proposed and used to simulate the physical phenomena occurring during the directional solidification (DS process. Coupled with heat transfer (macroscale and grain growth (meso-scale, 3D dendritic grain growth was calculated to show the competitive grain growth at micro-scale. SX grain selection behavior was studied by the simulation and experiments. The results show that the geometrical structure and technical parameters had strong influences on the grain selection effectiveness. Based on the coupled models, heat transfer, grain growth and microstructure evolution of a complex hollow SX blade were simulated. Both the simulated and experimental results show that the stray grain occurred at the platform of the SX blade when a constant withdrawal rate was used in manufacturing process. In order to avoid the formation of the stray crystal, the multi-scale coupled models and the withdrawal rate optimized technique were applied to the same SX turbine blade. The modeling results indicated that the optimized variable withdrawal rate can achieve SX blade castings with no stray grains, which was also proved by the experiments.
Bauer, Georg; Gamnitzer, Peter [Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany); Gravemeier, Volker, E-mail: vgravem@lnm.mw.tum.de [Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany); Emmy Noether Research Group “Computational Multiscale Methods for Turbulent Combustion”, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany); Wall, Wolfgang A. [Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, 85747 Garching (Germany)
2013-10-15
Highlights: •We present a computational method for coupled multi-ion transport in turbulent flow. •The underlying formulation is a variational multiscale finite element method. •It is combined with the isogeometric concept for electrochemical systems. •Coupled multi-ion transport in fully turbulent Taylor–Couette flow is simulated. •This example is an important model problem for rotating cylinder electrodes. -- Abstract: Electrochemical processes, such as electroplating of large items in galvanic baths, are often coupled to turbulent flow. In this study, we propose an isogeometric residual-based variational multiscale finite element method for multi-ion transport in dilute electrolyte solutions under turbulent flow conditions. In other words, this means that the concepts of isogeometric discretization and variational multiscale methods are successfully combined for developing a method capable of simulating the challenging problem of coupled multi-ion transport in turbulent flow. We present a comprehensive three-dimensional computational method taking into account, among others, coupled convection–diffusion-migration equations subject to an electroneutrality constraint in combination with phenomenological electrode-kinetics modeling. The electrochemical subproblem is one-way coupled to turbulent incompressible flow via convection. Ionic mass transfer in turbulent Taylor–Couette flow is investigated, representing an important model problem for rotating-cylinder-electrode configurations. Multi-ion transport as considered here is an example for mass transport at high Schmidt number (Sc=1389). An isogeometric discretization is especially advantageous for the present problem, since (i) curved boundaries can be represented exactly, and (ii) it has been proven to provide very accurate solutions for flow quantities when being applied in combination with residual-based variational multiscale modeling. We demonstrate that the method is robust and provides
A Mathematical Analysis of Atomistic-to-Continuum (AtC) Multiscale Coupling Methods
Gunzburger, Max
2013-11-13
We have worked on several projects aimed at improving the efficiency and understanding of multiscale methods, especially those applicable to problems involving atomistic-to-continuum coupling. Activities include blending methods for AtC coupling and efficient quasi-continuum methods for problems with long-range interactions.
Generalized multiscale finite element method. Symmetric interior penalty coupling
Efendiev, Yalchin R.
2013-12-01
Motivated by applications to numerical simulations of flows in highly heterogeneous porous media, we develop multiscale finite element methods for second order elliptic equations. We discuss a multiscale model reduction technique in the framework of the discontinuous Galerkin finite element method. We propose two different finite element spaces on the coarse mesh. The first space is based on a local eigenvalue problem that uses an interior weighted L2-norm and a boundary weighted L2-norm for computing the "mass" matrix. The second choice is based on generation of a snapshot space and subsequent selection of a subspace of a reduced dimension. The approximation with these multiscale spaces is based on the discontinuous Galerkin finite element method framework. We investigate the stability and derive error estimates for the methods and further experimentally study their performance on a representative number of numerical examples. © 2013 Elsevier Inc.
Report of the proceedings of the Colloquium and Workshop on Multiscale Coupled Modeling
Koch, Steven E. (Editor)
1993-01-01
The Colloquium and Workshop on Multiscale Coupled Modeling was held for the purpose of addressing modeling issues of importance to planning for the Cooperative Multiscale Experiment (CME). The colloquium presentations attempted to assess the current ability of numerical models to accurately simulate the development and evolution of mesoscale cloud and precipitation systems and their cycling of water substance, energy, and trace species. The primary purpose of the workshop was to make specific recommendations for the improvement of mesoscale models prior to the CME, their coupling with cloud, cumulus ensemble, hydrology, air chemistry models, and the observational requirements to initialize and verify these models.
Coupling of Peridynamics and Finite Element Formulation for Multiscale Simulations
2012-10-16
comparison of stresses and strains by finite element analysis (FEA) and peridynamic solutions is performed for a ductile material. A multiscale...problems. One common benchmark problem characterized by the mixed mode fracture is the test of a double-edge-notched concrete specimen conducted by Nooru...Mohamed et al. [19]. The test of Nooru-Mohamed was adopted by De Borst [20] in the discussion of computational modeling of concrete fracture. For
Xavier Blanc; Claude Le Bris; Prédéric Legol
2007-01-01
In order to describe a solid which deforms smoothly in some region,but non smoothly in some other region,many multiscale methods have been recently proposed that aim at coupling an atonfistic model (discrete mechanics)with a macroscopic model(continuum mechanics).We provide here a theoretical basis for such a coupling in a one-dimensional setting,in the case of convex energy.
Fyta, Maria; Kaxiras, Efthimios; Succi, Sauro
2007-01-01
We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a simple scheme of exchange of space-time information between the atomistic and mesoscopic scales and is capable of describing self-consistent hydrodynamic effects on molecular motion at a computational cost which scales linearly with both solute size and solvent volume. For an application of our multiscale method, we consider the much studied problem of biopolymer translocation through nanopores: we find that the method reproduces with remarkable accuracy the statistical scaling behavior of the translocation process and provides valuable insight into the cooperative aspects of biopolymer and hydrodynamic motion.
Land-Atmosphere Coupling in the Multi-Scale Modelling Framework
Kraus, P. M.; Denning, S.
2015-12-01
The Multi-Scale Modeling Framework (MMF), in which cloud-resolving models (CRMs) are embedded within general circulation model (GCM) gridcells to serve as the model's cloud parameterization, has offered a number of benefits to GCM simulations. The coupling of these cloud-resolving models directly to land surface model instances, rather than passing averaged atmospheric variables to a single instance of a land surface model, the logical next step in model development, has recently been accomplished. This new configuration offers conspicuous improvements to estimates of precipitation and canopy through-fall, but overall the model exhibits warm surface temperature biases and low productivity.This work presents modifications to a land-surface model that take advantage of the new multi-scale modeling framework, and accommodate the change in spatial scale from a typical GCM range of ~200 km to the CRM grid-scale of 4 km.A parameterization is introduced to apportion modeled surface radiation into direct-beam and diffuse components. The diffuse component is then distributed among the land-surface model instances within each GCM cell domain. This substantially reduces the number excessively low light values provided to the land-surface model when cloudy conditions are modeled in the CRM, associated with its 1-D radiation scheme. The small spatial scale of the CRM, ~4 km, as compared with the typical ~200 km GCM scale, provides much more realistic estimates of precipitation intensity, this permits the elimination of a model parameterization of canopy through-fall. However, runoff at such scales can no longer be considered as an immediate flow to the ocean. Allowing sub-surface water flow between land-surface instances within the GCM domain affords better realism and also reduces temperature and productivity biases.The MMF affords a number of opportunities to land-surface modelers, providing both the advantages of direct simulation at the 4 km scale and a much reduced
Fast multiscale directional filter bank-based speckle mitigation in gallstone ultrasound images.
Leavline, Epiphany Jebamalar; Sutha, Shunmugam; Singh, Danasingh Asir Antony Gnana
2014-02-01
Speckle noise is a multiplicative type of noise commonly seen in medical and remote sensing images. It gives a granular appearance that degrades the quality of the recorded images. These speckle noise components need to be mitigated before the image is used for further processing and analysis. This paper presents a novel approach for removing granular speckle noise in gray scale images. We used an efficient multiscale image representation scheme named fast multiscale directional filter bank (FMDFB) along with simple threshold methods such as Vishushrink for image processing. It is a perfect reconstruction framework that can be used for a wide range of image processing applications because of its directionality and reduced computational complexity. The FMDFB-based speckle mitigation is appealing over other traditional multiscale approaches such as wavelets and Contourlets. Our experimental results show that the despeckling performance of the proposed method outperforms the wavelet and Contourlet-based despeckling methods.
Exact mass-coupling relation of the simplest multi-scale quantum integrable model
Bajnok, Zoltan; Ito, Katsushi; Satoh, Yuji; Tóth, Gábor Zsolt
2015-01-01
We derive the exact mass-coupling relation of the simplest multi-scale quantum integrable model, i.e., the homogeneous sine-Gordon model with two mass scales. The relation is obtained by comparing the perturbed conformal field theory description of the model valid at short distances to the large distance bootstrap description based on the model's integrability. In particular, we find a differential equation for the relation by constructing conserved tensor currents which satisfy a generalization of the $\\Theta$ sum rule Ward identity. The mass-coupling relation is written in terms of hypergeometric functions.
A Spectral Multiscale Method for Wave Propagation Analysis: Atomistic-Continuum Coupled Simulation
Patra, Amit K; Ganguli, Ranjan
2014-01-01
In this paper, we present a new multiscale method which is capable of coupling atomistic and continuum domains for high frequency wave propagation analysis. The problem of non-physical wave reflection, which occurs due to the change in system description across the interface between two scales, can be satisfactorily overcome by the proposed method. We propose an efficient spectral domain decomposition of the total fine scale displacement along with a potent macroscale equation in the Laplace domain to eliminate the spurious interfacial reflection. We use Laplace transform based spectral finite element method to model the macroscale, which provides the optimum approximations for required dynamic responses of the outer atoms of the simulated microscale region very accurately. This new method shows excellent agreement between the proposed multiscale model and the full molecular dynamics (MD) results. Numerical experiments of wave propagation in a 1D harmonic lattice, a 1D lattice with Lennard-Jones potential, a ...
FENG Yongping; CUI Junzhi
2004-01-01
In this paper, the multi-scale computational method for a structure of composite materials with a small periodic configuration under the coupled thermoelasticity condition is presented.The two-scale asymptotic (TSA) expression of the displacement and the increment of temperature for composite materials with a small periodic configuration under the condition of thermoelasticity are briefly shown at first, then the multi-scale finite element algorithms based on TSA are discussed. Finally the numerical results evaluated by the multi-scale computational method are shown. It demonstrates that the basic configuration and the increment of temperature strongly influence the local strains and local stresses inside a basic cell.
Safer Batteries through Coupled Multiscale Modeling (ICCS 2015)
Turner, John A [ORNL; Allu, Srikanth [ORNL; Berrill, Mark A [ORNL; Elwasif, Wael R [ORNL; Kalnaus, Sergiy [ORNL; Kumar, Abhishek [ORNL; Lebrun-Grandie, Damien T [ORNL; Pannala, Dr. Sreekanth [Saudi Basic Industries Coropration (SABIC); Simunovic, Srdjan [ORNL
2015-01-01
Batteries are highly complex electrochemical systems, with performance and safety governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. We describe a new, open source computational environment for battery simulation known as VIBE - the Virtual Integrated Battery Environment. VIBE includes homogenized and pseudo-2D electrochemistry models such as those by Newman-Tiedemann-Gu (NTG) and Doyle- Fuller-Newman (DFN, a.k.a. DualFoil) as well as a new advanced capability known as AMPERES (Advanced MultiPhysics for Electrochemical and Renewable Energy Storage). AMPERES provides a 3D model for electrochemistry and full coupling with 3D electrical and thermal models on the same grid. VIBE/AMPERES has been used to create three-dimensional battery cell and pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical response under adverse conditions.
On the mass-coupling relation of multi-scale quantum integrable models
Bajnok, Zoltan; Ito, Katsushi; Satoh, Yuji; Toth, Gabor Zsolt
2016-01-01
We determine exactly the mass-coupling relation for the simplest multi-scale quantum integrable model, the homogenous sine-Gordon model with two independent mass-scales. We first reformulate its perturbed coset CFT description in terms of the perturbation of a projected product of minimal models. This representation enables us to identify conserved tensor currents on the UV side. These UV operators are then mapped via form factor perturbation theory to operators on the IR side, which are characterized by their form factors. The relation between the UV and IR operators is given in terms of the sought-for mass-coupling relation. By generalizing the $\\Theta$ sum rule Ward identity we are able to derive differential equations for the mass-coupling relation, which we solve in terms of hypergeometric functions. We check these results against the data obtained by numerically solving the thermodynamic Bethe Ansatz equations, and find a complete agreement.
Hassan, Ehab; Morrison, P J; Horton, W
2016-01-01
Progress in understanding the coupling between plasma instabilities in the equatorial electrojet based on a unified fluid model is reported. A deeper understanding of the linear and nonlinear evolution and the coupling of the gradient-drift and Farley-Buneman instabilities is achieved by studying the e?ect of di?erent combinations of the density-gradient scale-lengths (Ln) and cross-?eld (E?B) drifts on the plasma turbulence. Mechanisms and channels of energy transfer are illucidated for these multiscale instabilities. Energy for the uni?ed model is examined, including the injected, conservative redistribution (between ?elds and scales), and ultimate dissipation. Various physical mechanisms involved in the energetics are categorized as sources, sinks, nonlinear transfer, and coupling to show that the system satisfies the fundamental law of energy Oonservation. The physics of the nonlinear transfer terms is studied to identify their roles in producing energy cascades { the transference of energy from the domin...
Fractional Directional Differentiation and Its Application for Multiscale Texture Enhancement
Chaobang Gao
2012-01-01
Full Text Available This paper derives the directional derivative expression of Taylor formula for two-variable function from Taylor formula of one-variable function. Further, it proposes a new concept, fractional directional differentiation (FDD, and corresponding theories. To achieve the numerical calculation, the paper deduces power series expression of FDD. Moreover, the paper discusses the construction of FDD mask in the four quadrants, respectively, for digital image. The differential coefficients of every direction are not the same along the eight directions in the four quadrants, which is the biggest difference by contrast to general fractional differentiation and can reflect different fractional change rates along different directions, and this benefits to enlarge the differences among the image textures. Experiments show that, for texture-rich digital images, the capability of nonlinearly enhancing comprehensive texture details by FDD is better than those by the general fractional differentiation and Butterworth filter. By quantity analysis, it shows that state-of-the-art effect of texture enhancement is obtained by FDD.
Directional coupling for quantum computing and communication.
Nikolopoulos, Georgios M
2008-11-14
We introduce the concept of directional coupling, i.e., the selective transfer of a state between adjacent quantum wires, in the context of quantum computing and communication. Our analysis rests upon a mathematical analogy between a dual-channel directional coupler and a composite spin system.
A multiscale model on hospital infections coupling macro and micro dynamics
Wang, Xia; Tang, Sanyi
2017-09-01
A multiscale model of hospital infections coupling the micro model of the growth of bacteria and the macro model describing the transmission of the bacteria among patients and health care workers (HCWs) was established to investigate the effects of antibiotic treatment on the transmission of the bacteria among patients and HCWs. The model was formulated by viewing the transmission rate from infected patients to HCWs and the shedding rate of bacteria from infected patients to the environment as saturated functions of the within-host bacterial load. The equilibria and the basic reproduction number of the coupled system were studied, and the global dynamics of the disease free equilibrium and the endemic equilibrium were analyzed in detail by constructing two Lyapunov functions. Furthermore, effects of drug treatment in the within-host model on the basic reproduction number and the dynamics of the coupled model were studied by coupling a pharmacokinetics model with the within-host model. Sensitive analysis indicated that the growth rate of the bacteria, the maximum drug effect and the dosing interval are the three most sensitive parameters contributing to the basic reproduction number. Thus, adopting ;wonder; drugs to decrease the growth rate of the bacteria or to increase the drug's effect is the most effective measure but changing the dosage regime is also effective. A quantitative criterion of how to choose the best dosage regimen can also be obtained from numerical results.
Replication of Non-Trivial Directional Motion in Multi-Scales Observed by the Runs Test
Yura, Yoshihiro; Ohnishi, Takaaki; Yamada, Kenta; Takayasu, Hideki; Takayasu, Misako
Non-trivial autocorrelation in up-down statistics in financial market price fluctuation is revealed by a multi-scale runs test(Wald-Wolfowitz test). We apply two models, a stochastic price model and dealer model to understand this property. In both approaches we successfully reproduce the non-stationary directional price motions consistent with the runs test by tuning parameters in the models. We find that two types of dealers exist in the markets, a short-time-scale trend-follower and an extended-time-scale contrarian who are active in different time periods.
Multi-Scale Entrainment of Coupled Neuronal Oscillations in Primary Auditory Cortex
O’Connell, M. N.; Barczak, A.; Ross, D.; McGinnis, T.; Schroeder, C. E.; Lakatos, P.
2015-01-01
Earlier studies demonstrate that when the frequency of rhythmic tone sequences or streams is task relevant, ongoing excitability fluctuations (oscillations) of neuronal ensembles in primary auditory cortex (A1) entrain to stimulation in a frequency dependent way that sharpens frequency tuning. The phase distribution across A1 neuronal ensembles at time points when attended stimuli are predicted to occur reflects the focus of attention along the spectral attribute of auditory stimuli. This study examined how neuronal activity is modulated if only the temporal features of rhythmic stimulus streams are relevant. We presented macaques with auditory clicks arranged in 33 Hz (gamma timescale) quintets, repeated at a 1.6 Hz (delta timescale) rate. Such multi-scale, hierarchically organized temporal structure is characteristic of vocalizations and other natural stimuli. Monkeys were required to detect and respond to deviations in the temporal pattern of gamma quintets. As expected, engagement in the auditory task resulted in the multi-scale entrainment of delta- and gamma-band neuronal oscillations across all of A1. Surprisingly, however, the phase-alignment, and thus, the physiological impact of entrainment differed across the tonotopic map in A1. In the region of 11–16 kHz representation, entrainment most often aligned high excitability oscillatory phases with task-relevant events in the input stream and thus resulted in response enhancement. In the remainder of the A1 sites, entrainment generally resulted in response suppression. Our data indicate that the suppressive effects were due to low excitability phase delta oscillatory entrainment and the phase amplitude coupling of delta and gamma oscillations. Regardless of the phase or frequency, entrainment appeared stronger in left A1, indicative of the hemispheric lateralization of auditory function. PMID:26696866
Multi-scale entrainment of coupled neuronal oscillations in primary auditory cortex.
Monica Noelle O'Connell
2015-12-01
Full Text Available Earlier studies demonstrate that when the frequency of rhythmic tone sequences or streams is task relevant, ongoing excitability fluctuations (oscillations of neuronal ensembles in primary auditory cortex (A1 entrain to stimulation in a frequency dependent way that sharpens frequency tuning. The phase distribution across A1 neuronal ensembles at time points when attended stimuli are predicted to occur reflects the focus of attention along the spectral attribute of auditory stimuli. This study examined how neuronal activity is modulated if only the temporal features of rhythmic stimulus streams are relevant. We presented macaques with auditory clicks arranged in 33 Hz (gamma timescale quintets, repeated at a 1.6 Hz (delta timescale rate. Such multi-scale, hierarchically organized temporal structure is characteristic of vocalizations and other natural stimuli. Monkeys were required to detect and respond to deviations in the temporal pattern of gamma quintets. As expected, engagement in the auditory task resulted in the multi-scale entrainment of delta- and gamma-band neuronal oscillations across all of A1. Surprisingly, however, the phase-alignment, and thus, the physiological impact of entrainment differed across the tonotopic map in A1. In the region of 11-16 kHz representation, entrainment most often aligned high excitability oscillatory phases with task-relevant events in the input stream and thus resulted in response enhancement. In the remainder of the A1 sites, entrainment generally resulted in response suppression. Our data indicate that the suppressive effects were due to low excitability phase delta oscillatory entrainment and the phase amplitude coupling of delta and gamma oscillations. Regardless of the phase or frequency, entrainment appeared stronger in left A1, indicative of the hemispheric lateralization of auditory function.
Molini, A.; Casagrande, E.; Mueller, B.
2013-12-01
Land-Atmosphere (L-A) interactions, their strength and directionality, are one of the main sources of uncertainty in current climate modeling, with strong implications on the accurate assessment of future climate variability and climate change impacts. Beside from the scarcity of direct observations, major uncertainties derive from the inherent complexity and nonlinearity of these interactions, and from their multi-scale character. Statistical analysis of L-A couplings is traditionally based on linear correlation methods and metrics. However, these approaches are not designed to detect causal connections or non-linear couplings and they poorly perform in presence of non-stationarities. Additionally these methods assess L-A couplings essentially in the time domain, despite the fact that L-A dynamical drivers can act simultaneously over a wide range of different space and time scales. This talk explores the multi-scale nature of L-A interactions, through the example of soil moisture-temperature couplings and soil-moisture memory effects. In several regions of the world, soil moisture can have a dampening effect on temperature due to evaporative cooling. By using spectral decomposition techniques and both newly developed satellite based products and re-analysis, we analyze the contribution of different time scales to the build-up of global soil moisture-temperature coupling hot spots, addressing at the same time the role of seasonality, causation and non-linear feedbacks in land-atmosphere interactions. Finally we focus on the role of fine (sub-monthly) time scales and their interplay with the seasonal scales.
Multi-scale contrast enhancement of oriented features in 2D images using directional morphology
Das, Debashis; Mukhopadhyay, Susanta; Praveen, S. R. Sai
2017-01-01
This paper presents a multi-scale contrast enhancement scheme for improving the visual quality of directional features present in 2D gray scale images. Directional morphological filters are employed to locate and extract the scale-specific image features with different orientations which are subsequently stored in a set of feature images. The final enhanced image is constructed by weighted combination of these feature images with the original image. While construction, the feature images corresponding to progressively smaller scales are made to have higher proportion of contribution through the use of progressively larger weights. The proposed method has been formulated, implemented and executed on a set of real 2D gray scale images with oriented features. The experimental results visually establish the efficacy of the method. The proposed method has been compared with other similar methods both on subjective and objective basis and the overall performance is found to be satisfactory.
Robust a Posteriori Error Control and Adaptivity for Multiscale, Multinumerics, and Mortar Coupling
Pencheva, Gergina V.
2013-01-01
We consider discretizations of a model elliptic problem by means of different numerical methods applied separately in different subdomains, termed multinumerics, coupled using the mortar technique. The grids need not match along the interfaces. We are also interested in the multiscale setting, where the subdomains are partitioned by a mesh of size h, whereas the interfaces are partitioned by a mesh of much coarser size H, and where lower-order polynomials are used in the subdomains and higher-order polynomials are used on the mortar interface mesh. We derive several fully computable a posteriori error estimates which deliver a guaranteed upper bound on the error measured in the energy norm. Our estimates are also locally efficient and one of them is robust with respect to the ratio H/h under an assumption of sufficient regularity of the weak solution. The present approach allows bounding separately and comparing mutually the subdomain and interface errors. A subdomain/interface adaptive refinement strategy is proposed and numerically tested. © 2013 Society for Industrial and Applied Mathematics.
Multi-scale coupling strategy for fully two-dimensional and depth-averaged models for granular flows
Pudasaini, Shiva P.; Domnik, Birte; Miller, Stephen A.
2013-04-01
We developed a full two-dimensional Coulomb-viscoplastic model and applied it for inclined channel flows of granular materials from initiation to their deposition. The model includes the basic features and observed phenomena in dense granular flows like the exhibition of a yield strength and a non-zero slip velocity. A pressure-dependent yield strength is proposed to account for the frictional nature of granular materials. The yield strength can be related to the internal friction angle of the material and plays an important role, for example, in deposition processes. The interaction of the flow with the solid boundary is modelled by a pressure and rate-dependent Coulomb-viscoplastic sliding law. We developed an innovative multi-scale strategy to couple the full two-dimensional, non depth-averaged model (N-DAM) with a one-dimensional, depth-averaged model (DAM). The coupled model reduces computational complexity dramatically by using DAM only in regions with smooth changes of flow variables. The numerics uses N-DAM in regions where depth-averaging becomes inaccurate, for instance, in the initiation and deposition regions, and (particularly) when the flow hits an obstacle or a defense structure. In these regions, momentum transfer must be, and is, considered in all directions. We observe very high coupling performance, and show that the numerical results deviate only slightly from results of the much more cumbersome full two-dimensional model. This shows that the coupled model, which retains all the basic physics of the flow, is an attractive alternative to an expensive, full two-dimensional simulations. We compare simulation results with different experimental data for shock waves appearing in rapid granular flows down inclined channels and impacting a wall. The model predicts the evolution of the strong shock wave and the impact force on a rigid wall for different inclination angles and sliding surfaces. It is demonstrated that the internal friction angle plays an
Localized Scale Coupling and New Educational Paradigms in Multiscale Mathematics and Science
LEAL, L. GARY
2013-06-30
One of the most challenging multi-scale simulation problems in the area of multi-phase materials is to develop effective computational techniques for the prediction of coalescence and related phenomena involving rupture of a thin liquid film due to the onset of instability driven by van der Waals or other micro-scale attractive forces. Accurate modeling of this process is critical to prediction of the outcome of milling processes for immiscible polymer blends, one of the most important routes to new advanced polymeric materials. In typical situations, the blend evolves into an ?emulsion? of dispersed phase drops in a continuous matrix fluid. Coalescence is then a critical factor in determining the size distribution of the dispersed phase, but is extremely difficult to predict from first principles. The thin film separating two drops may only achieve rupture at dimensions of approximately 10 nm while the drop sizes are 0(10 ?m). It is essential to achieve very accurate solutions for the flow and for the interface shape at both the macroscale of the full drops, and within the thin film (where the destabilizing disjoining pressure due to van der Waals forces is proportional approximately to the inverse third power of the local film thickness, h-3). Furthermore, the fluids of interest are polymeric (through Newtonian) and the classical continuum description begins to fail as the film thins ? requiring incorporation of molecular effects, such as a hybrid code that incorporates a version of coarse grain molecular dynamics within the thin film coupled with a classical continuum description elsewhere in the flow domain. Finally, the presence of surface active additions, either surfactants (in the form of di-block copolymers) or surface-functionalized micro- or nano-scale particles, adds an additional level of complexity, requiring development of a distinct numerical method to predict the nonuniform concentration gradients of these additives that are responsible for
DONG Jian
2017-06-01
Full Text Available After having analyzed the application deficiency of positive direction rolling ball transform according to the safety principle, and concerned essentially with the evaluation principles of depth precision, depth order isomorphism and hierarchical nesting of terrain information for morphologic fidelity of digital depth model (DDM for short multi-scale representation, a reality principle-compliant algorithm for DDM multi-scale representation had been proposed based on double direction rolling ball transform. Firstly, by the analysis of the variation tendency of sea floor relief feature point throughout the procedure of double direction rolling ball transform, and combined with the scale dependence character of positive direction rolling ball transform, both the traverse distribution range and the vertical distribution height of sea floor reliefs of a certain scale had been calculated. Secondly, based on the statistic characteristics of DDM grid point undulation extent, a rule of identifying detail (skeleton reliefs had been established. Finally, by preserving the skeleton reliefs of specific scale factor, the overall trend of the changes of marine topography had been kept to meet the requirement of depth precision principle of DDM multi-scale representation. Besides, the paper demonstrated the ordered isomorphism characteristic of equidistant surface transform, and by extracting equidistant surface through double direction rolling ball transform of detail reliefs, the local undulation morphology of marine topography had been maintained to fulfill the depth order isomorphism principle of DDM multi-scale representation. Furthermore, the hierarchical nesting characteristic of terrain information in the process of double direction rolling ball transform had been demonstrated. The experiment results showed that this algorithm overcomed positive direction rolling ball transform's inability to reserve concave skeleton reliefs and preserve undulating
Processes of Change in Self-Directed Couple Relationship Education
Wilson, Keithia L.; Halford, W. Kim
2008-01-01
The current study examined the learning processes involved in professionally supported self-directed couple relationship education (CRE). Fifty-nine couples completed Couple CARE, a systematic, self-directed CRE program designed in flexible delivery mode to be completed at home. Couples watched a DVD introducing key relationship ideas and skills…
Ping Zhang
2016-01-01
Full Text Available Variational multiscale element free Galerkin (VMEFG method is applied to Burgers’ equation. It can be found that, for the very small diffusivity coefficients, VMEFG method still suffers from instability in the presence of boundary or interior layers. In order to overcome this problem, the high order low-pass filter is used to smooth the solution. Three test examples with very small diffusion are presented and the solutions obtained are compared with exact solutions and some other numerical methods. The numerical results are found in which the VMEFG coupled with low-pass filter works very well for Burgers’ equation with very small diffusivity coefficients.
Wagner, Gregory John (Sandia National Laboratories, Livermore, CA); Collis, Samuel Scott; Templeton, Jeremy Alan (Sandia National Laboratories, Livermore, CA); Lehoucq, Richard B.; Parks, Michael L.; Jones, Reese E. (Sandia National Laboratories, Livermore, CA); Silling, Stewart Andrew; Scovazzi, Guglielmo; Bochev, Pavel B.
2007-10-01
This report is a collection of documents written as part of the Laboratory Directed Research and Development (LDRD) project A Mathematical Framework for Multiscale Science and Engineering: The Variational Multiscale Method and Interscale Transfer Operators. We present developments in two categories of multiscale mathematics and analysis. The first, continuum-to-continuum (CtC) multiscale, includes problems that allow application of the same continuum model at all scales with the primary barrier to simulation being computing resources. The second, atomistic-to-continuum (AtC) multiscale, represents applications where detailed physics at the atomistic or molecular level must be simulated to resolve the small scales, but the effect on and coupling to the continuum level is frequently unclear.
A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses
Yamakov, Vesselin; Saether, Erik; Glaessgen, Edward H/.
2008-01-01
The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.
Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar (Germany); Thamburaja, P., E-mail: prakash.thamburaja@gmail.com [Department of Mechanical & Materials Engineering, Universiti Kebangsaan Malaysia (UKM), Bangi 43600 (Malaysia); Rabczuk, T., E-mail: timon.rabczuk@tdt.edu.vn [Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City (Viet Nam); Faculty of Civil Engineering, Ton Duc Thang University, Ho Chi Minh City (Viet Nam)
2016-12-15
A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.
Rong, Libin; Perelson, Alan S
2013-09-01
Chronic hepatitis C virus (HCV) infection remains a world-wide public health problem. Therapy with interferon and ribavirin leads to viral elimination in less than 50% of treated patients. New treatment options aiming at a higher cure rate are focused on direct-acting antiviral agents (DAAs), which directly interfere with different steps in the HCV life cycle. In this paper, we describe and analyze a recently developed multiscale model that predicts HCV dynamics under therapy with DAAs. The model includes both intracellular viral RNA replication and extracellular viral infection. We calculate the steady states of the model and perform a detailed stability analysis. With certain assumptions we obtain analytical approximations of the viral load decline after treatment initiation. One approximation agrees well with the prediction of the model, and can conveniently be used to fit patient data and estimate parameter values. We also discuss other possible ways to incorporate intracellular viral dynamics into the multiscale model.
Ng, T.Y., E-mail: MTYNG@ntu.edu.sg [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Pandurangan, Venkataraman; Li Hua [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)
2011-10-01
This paper investigates the 2D nanoindentation of a copper thin film using a concurrent multiscale method. The method uses molecular dynamics (MD) simulation in the atomistic region, the strong-form meshless Hermite-Cloud method in the continuum region and a handshaking algorithm to concurrently couple them. A fully atomistic simulation is also carried out to validate the multiscale method. The results, namely the load versus indentation depth graph obtained from the multiscale method shows only slight quantitative variation from that of the full atomistic model. More importantly, the graphs from both simulations show a similar trend thus validating the 2D multiscale method. The displacement profile without discontinuities further supports the efficiency of the multiscale method in ensuring smooth exchange of information between the atomistic and continuum domains. The material properties extracted from the simulation include the force/unit length values obtained by dividing the maximum load on the indenter by its contact perimeter, instead of the hardness value obtained in 3D simulations. By restricting the atomic scale detail to the critical regions beneath the indenter, the multiscale method effectively saves computational resources to more than one order (close to 13 times less for this problem), thus making it feasible to simulate problems of larger dimensions that are not amenable to complete atomistic simulations.
Multiscale Computing with the Multiscale Modeling Library and Runtime Environment
Borgdorff, J.; Mamonski, M.; Bosak, B.; Groen, D.; Ben Belgacem, M.; Kurowski, K.; Hoekstra, A.G.
2013-01-01
We introduce a software tool to simulate multiscale models: the Multiscale Coupling Library and Environment 2 (MUSCLE 2). MUSCLE 2 is a component-based modeling tool inspired by the multiscale modeling and simulation framework, with an easy-to-use API which supports Java, C++, C, and Fortran. We pre
Jacques, Laurent; Chaux, Caroline; Peyré, Gabriel
2011-01-01
The richness of natural images makes the quest for optimal representations in image processing and computer vision challenging. This fact has not prevented the design of candidates, convenient for rendering smooth regions, contours and textures at the same time, with compromises between efficiency and complexity. The most recent ones, proposed in the past decade, share an hybrid heritage highlighting the multiscale and oriented nature of edges and patterns in images. This paper endeavors a panorama of the aforementioned literature on decompositions in multiscale, multi-orientation bases or dictionaries. They typically exhibit redundancy to improve both the sparsity of the representation, and sometimes its invariance to various geometric deformations. Oriented multiscale dictionaries extend traditional wavelet processing and may offer rotation invariance. Highly redundant dictionaries require specific algorithms to simplify the search for an efficient (sparse) representation. We also discuss the extension of m...
A Direct Method for Incorporating Experimental Data into Multiscale Coarse-Grained Models.
Dannenhoffer-Lafage, Thomas; White, Andrew D; Voth, Gregory A
2016-05-10
To extract meaningful data from molecular simulations, it is necessary to incorporate new experimental observations as they become available. Recently, a new method was developed for incorporating experimental observations into molecular simulations, called experiment directed simulation (EDS), which utilizes a maximum entropy argument to bias an existing model to agree with experimental observations while changing the original model by a minimal amount. However, there is no discussion in the literature of whether or not the minimal bias systematically and generally improves the model by creating agreement with the experiment. In this work, we show that the relative entropy of the biased system with respect to an ideal target is always reduced by the application of a minimal bias, such as the one utilized by EDS. Using all-atom simulations that have been biased with EDS, one can then easily and rapidly improve a bottom-up multiscale coarse-grained (MS-CG) model without the need for a time-consuming reparametrization of the underlying atomistic force field. Furthermore, the improvement given by the many-body interactions introduced by the EDS bias can be maintained after being projected down to effective two-body MS-CG interactions. The result of this analysis is a new paradigm in coarse-grained modeling and simulation in which the "bottom-up" and "top-down" approaches are combined within a single, rigorous formalism based on statistical mechanics. The utility of building the resulting EDS-MS-CG models is demonstrated on two molecular systems: liquid methanol and ethylene carbonate.
Vannitsem, Stéphane; Lucarini, Valerio
2016-06-01
We study a simplified coupled atmosphere-ocean model using the formalism of covariant Lyapunov vectors (CLVs), which link physically-based directions of perturbations to growth/decay rates. The model is obtained via a severe truncation of quasi-geostrophic equations for the two fluids, and includes a simple yet physically meaningful representation of their dynamical/thermodynamical coupling. The model has 36 degrees of freedom, and the parameters are chosen so that a chaotic behaviour is observed. There are two positive Lyapunov exponents (LEs), sixteen negative LEs, and eighteen near-zero LEs. The presence of many near-zero LEs results from the vast time-scale separation between the characteristic time scales of the two fluids, and leads to nontrivial error growth properties in the tangent space spanned by the corresponding CLVs, which are geometrically very degenerate. Such CLVs correspond to two different classes of ocean/atmosphere coupled modes. The tangent space spanned by the CLVs corresponding to the positive and negative LEs has, instead, a non-pathological behaviour, and one can construct robust large deviations laws for the finite time LEs, thus providing a universal model for assessing predictability on long to ultra-long scales along such directions. Interestingly, the tangent space of the unstable manifold has substantial projection on both atmospheric and oceanic components. The results show the difficulties in using hyperbolicity as a conceptual framework for multiscale chaotic dynamical systems, whereas the framework of partial hyperbolicity seems better suited, possibly indicating an alternative definition for the chaotic hypothesis. They also suggest the need for an accurate analysis of error dynamics on different time scales and domains and for a careful set-up of assimilation schemes when looking at coupled atmosphere-ocean models.
Lardeau, Sylvain; Ferrari, Simone; Rossi, Lionel
2008-12-01
Three-dimensional (3D) direct numerical simulations of a flow driven by multiscale electromagnetic forcing are performed in order to reproduce with maximum accuracy the quasi-two-dimensional (2D) flow generated by the same multiscale forcing in the laboratory. The method presented is based on a 3D description of the flow and the electromagnetic forcing. Very good agreements between our simulations and the experiments are found both on velocity and acceleration field, this last comparison being, to our knowledge, done for the first time. Such agreement requires that both experiments and simulations are carefully performed and, more importantly, that the underlying simplification to model the experiments and the multiscale electromagnetic forcing do not introduce significant errors. The results presented in this paper differ significantly from previous 2D direct numerical simulation in which a classical linear Rayleigh friction modeling term was used to mimic the effect of the wall-normal friction. Indeed, purely 2D simulations are found to underestimate the Reynolds number and, due to the dominance of nonhomogeneous bottom friction, lead to the wrong physical mechanism. For the range of conditions presented in this paper, the Reynolds number, defined by the ratio between acceleration and viscous terms, remains the order of unity, and the Hartmann number, defined by the ratio between electromagnetic force terms and viscous terms, is about 2. The main conclusion is that 3D simulations are required to model the (3D) electromagnetic forces and the wall-normal shear. Indeed, even if the flow is quasi-2D in terms of energy, a full 3D approach is required to simulate these shallow layer flows driven by multiscale electromagnetic forcing. In the range of forcing intensity investigated in this paper, these multiscale flows remain quasi-2D, with negligible energy in the wall-normal velocity component. It is also shown that the driving terms are the electromagnetic forcing and
Pinning impulsive directed coupled delayed dynamical network and its applications
Lin, Chunnan; Wu, Quanjun; Xiang, Lan; Zhou, Jin
2015-01-01
The main objective of the present paper is to further investigate pinning synchronisation of a complex delayed dynamical network with directionally coupling by a single impulsive controller. By developing the analysis procedure of pinning impulsive stability for undirected coupled dynamical network previously, some simple yet general criteria of pinning impulsive synchronisation for such directed coupled network are derived analytically. It is shown that a single impulsive controller can always pin a given directed coupled network to a desired homogenous solution, including an equilibrium point, a periodic orbit, or a chaotic orbit. Subsequently, the theoretical results are illustrated by a directed small-world complex network which is a cellular neural network (CNN) and a directed scale-free complex network with the well-known Hodgkin-Huxley neuron oscillators. Numerical simulations are finally given to demonstrate the effectiveness of the proposed control methodology.
Andreussi, Oliviero; Caprasecca, Stefano; Cupellini, Lorenzo; Guarnetti-Prandi, Ingrid; Guido, Ciro A; Jurinovich, Sandro; Viani, Lucas; Mennucci, Benedetta
2015-05-28
Plasmonic systems, such as metal nanoparticles, are becoming increasingly important in spectroscopies and devices because of their ability to enhance, even by several orders of magnitude, the photophysical properties of neighboring systems. In particular, it has been shown both theoretically and experimentally that combining nanoplasmonic devices with natural light-harvesting proteins substantially increases the fluorescence and absorption properties of the system. This kind of biohybrid device can have important applications in the characterization and design of efficient light-harvesting systems. In the present work, the FMO light-harvesting protein was combined with gold nanoparticles of different sizes, and its photophysical properties were characterized using a multiscale quantum-mechanical classical-polarizable and continuum model (QM/MMPol/PCM). By optimal tuning of the plasmon resonance of the metal nanoparticles, fluorescence enhancements of up to 2 orders of magnitude were observed. Orientation effects were found to be crucial: amplifications by factors of up to 300 were observed for the absorption process, while the radiative decay of the emitting state increased at most by a factor of 10, mostly as a result of poor alignment of the emitting state with the considered metal aggregates. Despite being a limiting factor for high-fluorescence-enhancement devices, the strong orientation dependence may represent an important feature of the natural light-harvesting system that could allow selective enhancement of a specific excited state of the complex.
A multiscale finite element method for modeling fully coupled thermomechanical problems in solids
Sengupta, Arkaprabha
2012-05-18
This article proposes a two-scale formulation of fully coupled continuum thermomechanics using the finite element method at both scales. A monolithic approach is adopted in the solution of the momentum and energy equations. An efficient implementation of the resulting algorithm is derived that is suitable for multicore processing. The proposed method is applied with success to a strongly coupled problem involving shape-memory alloys. © 2012 John Wiley & Sons, Ltd.
Estimating coupling directions in the cardiorespiratory system using recurrence properties.
Marwan, Norbert; Zou, Yong; Wessel, Niels; Riedl, Maik; Kurths, Jürgen
2013-08-28
The asymmetry of coupling between complex systems can be studied by conditional probabilities of recurrence, which can be estimated by joint recurrence plots. This approach is applied for the first time on experimental data: time series of the human cardiorespiratory system in order to investigate the couplings between heart rate, mean arterial blood pressure and respiration. We find that the respiratory system couples towards the heart rate, and the heart rate towards the mean arterial blood pressure. However, our analysis could not detect a clear coupling direction between the mean arterial blood pressure and respiration.
Bidirectional communication using delay coupled chaotic directly modulated semiconductor lasers
Bindu M Krishna; Manu P John; V M Nandakumaran
2010-02-01
Chaotic synchronization of two directly modulated semiconductor lasers with negative delayed optoelectronic feedback is investigated and this scheme is found to be useful for efficient bidirectional communication between the lasers. A symmetric bidirectional coupling is identified as a suitable method for isochronal synchronization of such lasers. The optimum values of coupling and feedback strength that can provide maximum quality of synchronization are identified. This method is successfully employed for encoding/decoding both analog and digital messages. The importance of a symmetric coupling is demonstrated by studying the variation of decoding efficiency with respect to asymmetric coupling.
Directed transport of coupled systems in symmetric periodic potentials
郑志刚; 刘凤芝; 高建
2003-01-01
In this paper, we discuss the damped unidirectional motions of a coupled lattice in a periodic potential. Each particle in the lattice is subject to a time-periodic ac force. Our studies reveal that a directed transport process can be observed when the ac forces acting on the coupled lattice have a phase shift (mismatch). This directed motion is a collaboration of the coupling, the substrate potential, and the periodic force, which are all.symmetric. The absence of any one of these three factors will not give rise to a directed current. We discuss the complex relations between the directed current and parameters in the system. Results in this paper can be accomplished in experiments. Moreover,our results can be generalized to the studies of directed transport processes in more complicated spatially extended systems.
Direct-coupling lensing by antisymmetric tensor monopoles
Lau, Kamuela N.; Seifert, Michael D.
2017-01-01
We discuss the effects of a direct coupling between a Lorentz-violating rank-two antisymmetric tensor field and the Maxwell field. Two possible couplings are considered, which can be distinguished by whether or not they lead to vacuum birefringence. In both cases, the magnitude of the field components and the coupling coefficient can be bounded by observational constraints. For light propagating in the presence of a topological defect solution, both couplings lead to the deflection of light rays; however, these angular deflections can be expected to be extremely small: 10-9 arcseconds for the nonbirefringent coupling, and no more than 10-26 arcseconds for the birefringent coupling. We discuss the plausibility of this phenomenon as a method for detection of these monopoles.
Moreno Chaparro, Nicolas
2013-06-01
A variational multi scale approach to model blood flow through arteries is proposed. A finite element discretization to represent the coarse scales (macro size), is coupled to smoothed dissipative particle dynamics that captures the fine scale features (micro scale). Blood is assumed to be incompressible, and flow is described through the Navier Stokes equation. The proposed cou- pling is tested with two benchmark problems, in fully coupled systems. Further refinements of the model can be incorporated in order to explicitly include blood constituents and non-Newtonian behavior. The suggested algorithm can be used with any particle-based method able to solve the Navier-Stokes equation.
Many-Task Computing Tools for Multiscale Modeling
Katz, Daniel S.; Ripeanu, Matei; Wilde, Michael
2011-01-01
This paper discusses the use of many-task computing tools for multiscale modeling. It defines multiscale modeling and places different examples of it on a coupling spectrum, discusses the Swift parallel scripting language, describes three multiscale modeling applications that could use Swift, and then talks about how the Swift model is being extended to cover more of the multiscale modeling coupling spectrum.
Lenarda, P; Paggi, M
A comprehensive computational framework based on the finite element method for the simulation of coupled hygro-thermo-mechanical problems in photovoltaic laminates is herein proposed. While the thermo-mechanical problem takes place in the three-dimensional space of the laminate, moisture diffusion occurs in a two-dimensional domain represented by the polymeric layers and by the vertical channel cracks in the solar cells. Therefore, a geometrical multi-scale solution strategy is pursued by solving the partial differential equations governing heat transfer and thermo-elasticity in the three-dimensional space, and the partial differential equation for moisture diffusion in the two dimensional domains. By exploiting a staggered scheme, the thermo-mechanical problem is solved first via a fully implicit solution scheme in space and time, with a specific treatment of the polymeric layers as zero-thickness interfaces whose constitutive response is governed by a novel thermo-visco-elastic cohesive zone model based on fractional calculus. Temperature and relative displacements along the domains where moisture diffusion takes place are then projected to the finite element model of diffusion, coupled with the thermo-mechanical problem by the temperature and crack opening dependent diffusion coefficient. The application of the proposed method to photovoltaic modules pinpoints two important physical aspects: (i) moisture diffusion in humidity freeze tests with a temperature dependent diffusivity is a much slower process than in the case of a constant diffusion coefficient; (ii) channel cracks through Silicon solar cells significantly enhance moisture diffusion and electric degradation, as confirmed by experimental tests.
Lenarda, P.; Paggi, M.
2016-06-01
A comprehensive computational framework based on the finite element method for the simulation of coupled hygro-thermo-mechanical problems in photovoltaic laminates is herein proposed. While the thermo-mechanical problem takes place in the three-dimensional space of the laminate, moisture diffusion occurs in a two-dimensional domain represented by the polymeric layers and by the vertical channel cracks in the solar cells. Therefore, a geometrical multi-scale solution strategy is pursued by solving the partial differential equations governing heat transfer and thermo-elasticity in the three-dimensional space, and the partial differential equation for moisture diffusion in the two dimensional domains. By exploiting a staggered scheme, the thermo-mechanical problem is solved first via a fully implicit solution scheme in space and time, with a specific treatment of the polymeric layers as zero-thickness interfaces whose constitutive response is governed by a novel thermo-visco-elastic cohesive zone model based on fractional calculus. Temperature and relative displacements along the domains where moisture diffusion takes place are then projected to the finite element model of diffusion, coupled with the thermo-mechanical problem by the temperature and crack opening dependent diffusion coefficient. The application of the proposed method to photovoltaic modules pinpoints two important physical aspects: (i) moisture diffusion in humidity freeze tests with a temperature dependent diffusivity is a much slower process than in the case of a constant diffusion coefficient; (ii) channel cracks through Silicon solar cells significantly enhance moisture diffusion and electric degradation, as confirmed by experimental tests.
Direct Coupling From WGM Resonator Disks to Photodetectors
Savchenkov, Antoliy; Maleki, Lute; Mohageg, Makan; Le, Thanh
2007-01-01
Output coupling of light from a whispering- gallery-mode (WGM) optical resonator directly to a photodetector has recently been demonstrated. By directly is meant that the coupling is effected without use of intervening optical components. Heretofore, coupling of light into and out of WGM resonators has been a complex affair involving the use of such optical components as diamond or glass prisms, optical fibers, coated collimators, and/or fiber tapers. Alignment of these components is time-consuming and expensive. To effect direct coupling, one simply mounts a photodetector in direct mechanical contact with a spacer that is, in turn, in direct mechanical contact with a WGM resonator disk. The spacer must have a specified thickness (typically of the order of a wavelength) and an index of refraction lower, by an adequate margin, than the indices of refraction of the photodetector and the WGM resonator disk. This mechanically simple approach makes it possible to obtain an optimum compromise between maximizing optical coupling and maximizing the resonance quality factor (Q).
Directional out-coupling from active hyperbolic metamaterials
Galfsky, Tal; Newman, Ward D; Narimanov, Evgenii; Jacob, Zubin; Menon, Vinod M
2014-01-01
Hyperbolic Metamaterials (HMMs) have recently garnered much attention because they possess the ability for broadband manipulation of the photon density of states and sub-wavelength light confinement. However, a major difficulty arises with the coupling of light out of HMMs due to strong confinement of the electromagnetic field in states with high momentum called high-k modes which become evanescent outside the structure. Here we report the first demonstration of directional out-coupling of light from high-k modes in an active HMM using a high index bulls-eye grating. Quantum dots (QDs) embedded underneath the metamaterial show highly directional emission through the propagation and out-coupling of resonance cones which are a unique feature of hyperbolic media. This demonstration of efficient out-coupling of light from active HMMs could pave the way for developing practical photonic devices using these systems.
Broadband directional coupling in aluminum nitride nanophotonic circuits
Stegmaier, Matthias
2013-01-01
Aluminum nitride (AlN)-on-insulator has emerged as a promising platform for the realization of linear and non-linear integrated photonic circuits. In order to efficiently route optical signals on-chip, precise control over the interaction and polarization of evanescently coupled waveguide modes is required. Here we employ nanophotonic AlN waveguides to realize directional couplers with a broad coupling bandwidth and low insertion loss. We achieve uniform splitting of incoming modes, confirmed by high extinction-ratio exceeding 33dB in integrated Mach-Zehnder Interferometers. Optimized three-waveguide couplers furthermore allow for extending the coupling bandwidth over traditional side-coupled devices by almost an order of magnitude, with variable splitting ratio. Our work illustrates the potential of AlN circuits for coupled waveguide optics, DWDM applications and integrated polarization diversity schemes.
Reliable detection of directional couplings using rank statistics.
Chicharro, Daniel; Andrzejak, Ralph G
2009-08-01
To detect directional couplings from time series various measures based on distances in reconstructed state spaces were introduced. These measures can, however, be biased by asymmetries in the dynamics' structure, noise color, or noise level, which are ubiquitous in experimental signals. Using theoretical reasoning and results from model systems we identify the various sources of bias and show that most of them can be eliminated by an appropriate normalization. We furthermore diminish the remaining biases by introducing a measure based on ranks of distances. This rank-based measure outperforms existing distance-based measures concerning both sensitivity and specificity for directional couplings. Therefore, our findings are relevant for a reliable detection of directional couplings from experimental signals.
Liu, Shi; Cohen, R. E.
2017-08-01
The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defect level remains mostly at the empirical level, and the detailed atomistic mechanisms for many defect-mediated polarization-switching processes have not been convincingly revealed quantum mechanically. We simulate the polarization-electric field (P-E) and strain-electric field (ɛ-E) hysteresis loops for BaTiO3 in the presence of generic defect dipoles with large-scale molecular dynamics and provide a detailed atomistic picture of the defect dipole-enhanced electromechanical coupling. We develop a general first-principles-based atomistic model, enabling a quantitative understanding of the relationship between macroscopic ferroelectric properties and dipolar impurities of different orientations, concentrations, and dipole moments. We find that the collective orientation of dipolar defects relative to the external field is the key microscopic structure feature that strongly affects materials hardening/softening and electromechanical coupling. We show that a small concentration (≈0.1 at. %) of defect dipoles dramatically improves electromechanical responses. This offers the opportunity to improve the performance of inexpensive polycrystalline ferroelectric ceramics through defect dipole engineering for a range of applications including piezoelectric sensors, actuators, and transducers.
Hassan, Ehab; Hatch, D. R.; Morrison, P. J.; Horton, W.
2016-09-01
Progress in understanding the coupling between plasma instabilities in the equatorial electrojet based on a unified fluid model is reported. Simulations with parameters set to various ionospheric background conditions revealed properties of the gradient-drift and Farley-Buneman instabilities. Notably, sharper density gradients increase linear growth rates at all scales, whereas variations in cross-field E × B drift velocity only affect small-scale instabilities. A formalism defining turbulent fluctuation energy for the system is introduced, and the turbulence is analyzed within this framework. This exercise serves as a useful verification test of the numerical simulations and also elucidates the physics underlying the ionospheric turbulence. Various physical mechanisms involved in the energetics are categorized as sources, sinks, nonlinear transfer, and cross-field coupling. The physics of the nonlinear transfer terms is studied to identify their roles in producing energy cascades, which explain the generation of small-scale structures that are stable in the linear regime. The theory of two-step energy cascading to generate the 3 m plasma irregularities in the equatorial electrojet is verified for the first time in the fluid regime. In addition, the nonlinearity of the system allows the possibility of an inverse energy cascade, potentially responsible for generating large-scale plasma structures at the top of the electrojet as found in different rocket and radar observations.
Chunhua Dong; Yunfeng Xiao; Yong Yang; Zhengfu Han; Guangcan Guo; Lan Yang
2008-01-01
@@ We fabricate slightly deformed fused-silica microspheres in which whispering gallery modes possess remarkably directional escape emission from the microsphere boundary. With efficient flee-space excitation and collection, the lateral spatial distribution of whispering gallery modes with different azimuthal mode numbers, rn, is directly observed through modal coupling and directional emission. Excellent agreement with theory is obtained.
Hubbard, Susan; Williams, Ken; Steefel, Carl; Banfield, Jill; Long, Phil; Slater, Lee; Pride, Steve; Jinsong Chen
2006-06-01
To advance solutions needed for remediation of DOE contaminated sites, approaches are needed that can elucidate and predict reactions associated with coupled biological, geochemical, and hydrological processes over a variety of spatial scales and in heterogeneous environments. Our previous laboratory experimental experiments, which were conducted under controlled and homogeneous conditions, suggest that geophysical methods have the potential for elucidating system transformations that often occur during remediation. Examples include tracking the onset and aggregation of precipitates associated with sulfate reduction using seismic and complex resistivity methods (Williams et al., 2005; Ntarlagiannis et al., 2005) as well as estimating the volume of evolved gas associated with denitrification using radar velocity. These exciting studies illustrated that geophysical responses correlated with biogeochemical changes, but also that multiple factors could impact the geophysical signature and thus a better understanding as well as integration tools were needed to advance the techniques to the point where they can be used to provide quantitative estimates of system transformations.
Direct and indirect coupling mechanisms in a chiral plasmonic system
Wang, Yongkai; Wen, Xiaojing; Qu, Yu; Fu, Tong; Zhang, Zhongyue
2016-10-01
Artificial chiral plasmonic nanostructures (ACPNs) are widely studied and used in biological monitoring, analytical chemistry, and negative-refractive-index media. The mechanism of direct coupling between two twist metal nanorods has been obtained in usual ACPNs. In this work, we proposed a nanosystem of twist nanorods separated by a metal film (TNMF). By analyzing the charge distributions, a new indirect coupling mechanism is found. According to the equivalent LC resonant circuits, gold nanorods on the two sides of the gold film can be regarded as a receiver and an emitter. These components enhanced transmittance and provided direct and indirect coupling mechanisms for the circular dichroism (CD). The direct coupling mode cannot be explained by impedance matching and can be tuned monotonously by monotonously varying geometric dimensions. However, the CD signal of indirect coupling can be explained by impedance matching and can be tuned to its maximum by varying geometric dimensions when the impedances of both sides of the gold film match. These results can help design novel chiral optical structures and promote combined applications between photons and electrons when a gold film is powered on.
Identifying delayed directional couplings with symbolic transfer entropy
Dickten, Henning
2016-01-01
We propose a straightforward extension of symbolic transfer entropy to enable the investigation of delayed directional relationships between coupled dynamical systems from time series. Analyzing time series from chaotic model systems, we demonstrate the applicability and limitations of our approach. Our findings obtained from applying our method to infer delayed directed interactions in the human epileptic brain underline the importance of our approach for improving the construction of functional network structures from data.
Photonic crystal fiber design for broadband directional coupling
Lægsgaard, Jesper; Bang, Ole; Bjarklev, Anders Overgaard
2004-01-01
A novel design for a broadband directional coupler based on a photonic crystal fiber is investigated numerically. It is shown that suitable index-depressing doping of the core regions in an index-guiding twin-core photonic crystal fiber can stabilize the coupling coefficient between the cores over...
Direct catalytic cross-coupling of alkenyllithium compounds
Hornillos, Valentin; Giannerini, Massimo; Vila, Carlos; Fananas-Mastral, Martin; Feringa, Ben L.
2015-01-01
A catalytic method for the direct cross-coupling of alkenyllithium reagents with aryl and alkenyl halides is described. The use of a catalyst comprising Pd-2(dba)(3)/XPhos allows for the stereoselective preparation of a wide variety of substituted alkenes in high yields under mild conditions. In add
Photonic crystal fiber design for broadband directional coupling
Lægsgaard, Jesper; Bang, Ole; Bjarklev, Anders Overgaard
2004-01-01
A novel design for a broadband directional coupler based on a photonic crystal fiber is investigated numerically. It is shown that suitable index-depressing doping of the core regions in an index-guiding twin-core photonic crystal fiber can stabilize the coupling coefficient between the cores over...
Multi-scale Model Coupling for CFD Simulations of Discharge Dispersion in the Sea
Robinson, D.; Wood, M.; Piggott, M. D.; Gorman, G.
2014-12-01
The processes that influence the dispersion of effluent discharges in the sea occur over a wide range of length and time scales. The distance that effluent can travel before it is considered mixed can be several kilometres, whereas the turbulent eddies that affect the near-field mixing of a discharge can be as small as a few centimetres. The range of scales that are involved mean that it is not generally practical to include all influencing physical phenomena within one model. Typically, the modelling of effluent dispersion is performed using two separate numerical models: a local model of the outlet(s), including the near-field effects of momentum, buoyancy and turbulence; and a larger scale model that can include the far-field effects of tidal-, wind- and wave-driven-currents, water depth variations, atmospheric fluxes, and Coriolis forces. The boundary between the two models is often not strictly defined, but is usually placed at the transition from where the behaviour of the effluent is dominated by the ambient environment, rather than the discharge characteristics and outfall configuration. In most real applications, this transition line varies considerably in time and space. This paper presents the findings of collaborative research between the Applied Modelling and Computation Group (AMCG) at Imperial College London, UK, and HR Wallingford Ltd. Results are presented using a range of coupling methods to link the near- and far-field mixing regions. An idealised domain and tidal conditions are used, with the outfall and ambient conditions typical of those found at small coastal desalination plants. Open-source CFD code Fluidity is used for both the near-field and far-field modelling. Fluidity scales well when run in parallel on large numbers of cores. It also has an anisotropic adaptive mesh capability which allows local control over solution accuracy throughout the domain. This combination means that accuracy can be achieved without excessive time costs, with
Nercessian, Shahan C; Panetta, Karen A; Agaian, Sos S
2013-09-01
Image enhancement is a crucial pre-processing step for various image processing applications and vision systems. Many enhancement algorithms have been proposed based on different sets of criteria. However, a direct multi-scale image enhancement algorithm capable of independently and/or simultaneously providing adequate contrast enhancement, tonal rendition, dynamic range compression, and accurate edge preservation in a controlled manner has yet to be produced. In this paper, a multi-scale image enhancement algorithm based on a new parametric contrast measure is presented. The parametric contrast measure incorporates not only the luminance masking characteristic, but also the contrast masking characteristic of the human visual system. The formulation of the contrast measure can be adapted for any multi-resolution decomposition scheme in order to yield new human visual system-inspired multi-scale transforms. In this article, it is exemplified using the Laplacian pyramid, discrete wavelet transform, stationary wavelet transform, and dual-tree complex wavelet transform. Consequently, the proposed enhancement procedure is developed. The advantages of the proposed method include: 1) the integration of both the luminance and contrast masking phenomena; 2) the extension of non-linear mapping schemes to human visual system inspired multi-scale contrast coefficients; 3) the extension of human visual system-based image enhancement approaches to the stationary and dual-tree complex wavelet transforms, and a direct means of; 4) adjusting overall brightness; and 5) achieving dynamic range compression for image enhancement within a direct multi-scale enhancement framework. Experimental results demonstrate the ability of the proposed algorithm to achieve simultaneous local and global enhancements.
Direct coupling information measure from non-uniform embedding
Kugiumtzis, Dimitris
2013-01-01
A measure to estimate the direct and directional coupling in multivariate time series is proposed. The measure is an extension of a recently published measure of conditional Mutual Information from Mixed Embedding (MIME) for bivariate time series. In the proposed measure of Partial MIME (PMIME), the embedding is on all observed variables, and it is optimized in explaining the response variable. It is shown that PMIME detects correctly direct coupling, and outperforms the (linear) conditional Granger causality and the partial transfer entropy. We demonstrate that PMIME does not rely on significance test and embedding parameters, and the number of observed variables has no effect on its statistical accuracy, it may only slow the computations. The importance of these points is shown in simulations and in an application to epileptic multi-channel scalp EEG.
Zhen, Yi; Zhang, Xinyuan; Wang, Ningli, E-mail: wningli@vip.163.com, E-mail: puj@upmc.edu [National Engineering Research Center for Ophthalmic Equipments, Beijing, 100730 (China); Gu, Suicheng; Meng, Xin [Imaging Research Center, Department of Radiology, University of Pittsburgh, Pittsburgh, Pennsylvania, 15213 (United States); Zheng, Bin [School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States); Pu, Jiantao, E-mail: wningli@vip.163.com, E-mail: puj@upmc.edu [Imaging Research Center, Departments of Radiology and Bioengineering, University of Pittsburgh, Pittsburgh, Pennsylvania, 15213 (United States)
2014-09-15
Purpose: A novel algorithm is presented to automatically identify the retinal vessels depicted in color fundus photographs. Methods: The proposed algorithm quantifies the contrast of each pixel in retinal images at multiple scales and fuses the resulting consequent contrast images in a progressive manner by leveraging their spatial difference and continuity. The multiscale strategy is to deal with the variety of retinal vessels in width, intensity, resolution, and orientation; and the progressive fusion is to combine consequent images and meanwhile avoid a sudden fusion of image noise and/or artifacts in space. To quantitatively assess the performance of the algorithm, we tested it on three publicly available databases, namely, DRIVE, STARE, and HRF. The agreement between the computer results and the manual delineation in these databases were quantified by computing their overlapping in both area and length (centerline). The measures include sensitivity, specificity, and accuracy. Results: For the DRIVE database, the sensitivities in identifying vessels in area and length were around 90% and 70%, respectively, the accuracy in pixel classification was around 99%, and the precisions in terms of both area and length were around 94%. For the STARE database, the sensitivities in identifying vessels were around 90% in area and 70% in length, and the accuracy in pixel classification was around 97%. For the HRF database, the sensitivities in identifying vessels were around 92% in area and 83% in length for the healthy subgroup, around 92% in area and 75% in length for the glaucomatous subgroup, around 91% in area and 73% in length for the diabetic retinopathy subgroup. For all three subgroups, the accuracy was around 98%. Conclusions: The experimental results demonstrate that the developed algorithm is capable of identifying retinal vessels depicted in color fundus photographs in a relatively reliable manner.
Frank S Heldt
Full Text Available Influenza A viruses are respiratory pathogens that cause seasonal epidemics with up to 500,000 deaths each year. Yet there are currently only two classes of antivirals licensed for treatment and drug-resistant strains are on the rise. A major challenge for the discovery of new anti-influenza agents is the identification of drug targets that efficiently interfere with viral replication. To support this step, we developed a multiscale model of influenza A virus infection which comprises both the intracellular level where the virus synthesizes its proteins, replicates its genome, and assembles new virions and the extracellular level where it spreads to new host cells. This integrated modeling approach recapitulates a wide range of experimental data across both scales including the time course of all three viral RNA species inside an infected cell and the infection dynamics in a cell population. It also allowed us to systematically study how interfering with specific steps of the viral life cycle affects virus production. We find that inhibitors of viral transcription, replication, protein synthesis, nuclear export, and assembly/release are most effective in decreasing virus titers whereas targeting virus entry primarily delays infection. In addition, our results suggest that for some antivirals therapy success strongly depends on the lifespan of infected cells and, thus, on the dynamics of virus-induced apoptosis or the host's immune response. Hence, the proposed model provides a systems-level understanding of influenza A virus infection and therapy as well as an ideal platform to include further levels of complexity toward a comprehensive description of infectious diseases.
无
2000-01-01
Labyrinth seal can cause steamexciting,the structural and operating parameters of labyrinth seal have effect on stability of rotorsystem.For investigating the coupling influences of the structure and operating parameters of labyrinth seals on dynamic coefficients,a model of calculating dynamic coefficients of labyrinth seals is presented using a two control volume model.The coupling influences of parameters on crosscoupled stiffness and direct damping of labyrinth seal are discussed.In the conclusion,a reference of pre venting steamexciting vibration and optimum determination of design parameters of labyrinth seals are provided.
Strip Waveguide Directional Coupling Modulator with Equivalent Refractive Index
LI Hong-tao; HE Dui-yan
2004-01-01
The equivalent refractive index(ERI) method is employed to analyze the function of the strip waveguide directional coupling modulator(SWM). Through deducing the diagnostic equation of the Exmn mode of the four-layer media film waveguide equivalent to the SWM,the transmission constant of the symmetrical mode of the positive phase and negative one and the coupling length of powerful transference are obtained. The veracity of ERI is validated with the example of Ex11 basal mode under the condition of comparing the three results of ERI,EIM and Marcatili.
Saether, Erik; Glaessgen, Edward H.
2009-01-01
Atomistic simulations of intergranular fracture have indicated that grain-scale crack growth in polycrystalline metals can be direction dependent. At these material length scales, the atomic environment greatly influences the nature of intergranular crack propagation, through either brittle or ductile mechanisms, that are a function of adjacent grain orientation and direction of crack propagation. Methods have been developed to obtain cohesive zone models (CZM) directly from molecular dynamics simulations. These CZMs may be incorporated into decohesion finite element formulations to simulate fracture at larger length scales. A new directional decohesion element is presented that calculates the direction of Mode I opening and incorporates a material criterion for dislocation emission based on the local crystallographic environment to automatically select the CZM that best represents crack growth. The simulation of fracture in 2-D and 3-D aluminum polycrystals is used to illustrate the effect of parameterized CZMs and the effectiveness of directional decohesion finite elements.
Transformer coupling for transmitting direct current through a barrier
Brown, Ralph L.; Guilford, Richard P.; Stichman, John H.
1988-01-01
The transmission system for transmitting direct current from an energy source on one side of an electrical and mechanical barrier to a load on the other side of the barrier utilizes a transformer comprising a primary core on one side of the transformer and a secondary core on the other side of the transformer. The cores are magnetically coupled selectively by moving a magnetic ferrite coupler in and out of alignment with the poles of the cores. The direct current from the energy source is converted to a time varying current by an oscillating circuit, which oscillating circuit is optically coupled to a secondary winding on the secondary core to interrupt oscillations upon the voltage in the secondary winding exceeding a preselected level.
Scheibe, Timothy D; Murphy, Ellyn M; Chen, Xingyuan; Rice, Amy K; Carroll, Kenneth C; Palmer, Bruce J; Tartakovsky, Alexandre M; Battiato, Ilenia; Wood, Brian D
2015-01-01
One of the most significant challenges faced by hydrogeologic modelers is the disparity between the spatial and temporal scales at which fundamental flow, transport, and reaction processes can best be understood and quantified (e.g., microscopic to pore scales and seconds to days) and at which practical model predictions are needed (e.g., plume to aquifer scales and years to centuries). While the multiscale nature of hydrogeologic problems is widely recognized, technological limitations in computation and characterization restrict most practical modeling efforts to fairly coarse representations of heterogeneous properties and processes. For some modern problems, the necessary level of simplification is such that model parameters may lose physical meaning and model predictive ability is questionable for any conditions other than those to which the model was calibrated. Recently, there has been broad interest across a wide range of scientific and engineering disciplines in simulation approaches that more rigorously account for the multiscale nature of systems of interest. In this article, we review a number of such approaches and propose a classification scheme for defining different types of multiscale simulation methods and those classes of problems to which they are most applicable. Our classification scheme is presented in terms of a flowchart (Multiscale Analysis Platform), and defines several different motifs of multiscale simulation. Within each motif, the member methods are reviewed and example applications are discussed. We focus attention on hybrid multiscale methods, in which two or more models with different physics described at fundamentally different scales are directly coupled within a single simulation. Very recently these methods have begun to be applied to groundwater flow and transport simulations, and we discuss these applications in the context of our classification scheme. As computational and characterization capabilities continue to improve
Dimeric interactions and complex formation using direct coevolutionary couplings.
dos Santos, Ricardo N; Morcos, Faruck; Jana, Biman; Andricopulo, Adriano D; Onuchic, José N
2015-09-04
We develop a procedure to characterize the association of protein structures into homodimers using coevolutionary couplings extracted from Direct Coupling Analysis (DCA) in combination with Structure Based Models (SBM). Identification of dimerization contacts using DCA is more challenging than intradomain contacts since direct couplings are mixed with monomeric contacts. Therefore a systematic way to extract dimerization signals has been elusive. We provide evidence that the prediction of homodimeric complexes is possible with high accuracy for all the cases we studied which have rich sequence information. For the most accurate conformations of the structurally diverse dimeric complexes studied the mean and interfacial RMSDs are 1.95Å and 1.44Å, respectively. This methodology is also able to identify distinct dimerization conformations as for the case of the family of response regulators, which dimerize upon activation. The identification of dimeric complexes can provide interesting molecular insights in the construction of large oligomeric complexes and be useful in the study of aggregation related diseases like Alzheimer's or Parkinson's.
Nonlinear Coherent Directional Coupler: Coupled Mode Theory and BPM Simulation
Kumbhakar, Dharmadas
2012-01-01
.... The coupling lengths derived from this simulation are compared with coupled mode theories. BPM results for the critical power follow the trend of the coupled mode theories, but it lies in between two coupled mode theories...
Direct formation of supermassive black holes via multi-scale gas inflows in galaxy mergers.
Mayer, L; Kazantzidis, S; Escala, A; Callegari, S
2010-08-26
Observations of distant quasars indicate that supermassive black holes of billions of solar masses already existed less than a billion years after the Big Bang. Models in which the 'seeds' of such black holes form by the collapse of primordial metal-free stars cannot explain the rapid appearance of these supermassive black holes because gas accretion is not sufficiently efficient. Alternatively, these black holes may form by direct collapse of gas within isolated protogalaxies, but current models require idealized conditions, such as metal-free gas, to prevent cooling and star formation from consuming the gas reservoir. Here we report simulations showing that mergers between massive protogalaxies naturally produce the conditions for direct collapse into a supermassive black hole with no need to suppress cooling and star formation. Merger-driven gas inflows give rise to an unstable, massive nuclear gas disk of a few billion solar masses, which funnels more than 10(8) solar masses of gas to a sub-parsec-scale gas cloud in only 100,000 years. The cloud undergoes gravitational collapse, which eventually leads to the formation of a massive black hole. The black hole can subsequently grow to a billion solar masses on timescales of about 10(8) years by accreting gas from the surrounding disk.
Ryan T Canolty
Full Text Available Understanding the principles governing the dynamic coordination of functional brain networks remains an important unmet goal within neuroscience. How do distributed ensembles of neurons transiently coordinate their activity across a variety of spatial and temporal scales? While a complete mechanistic account of this process remains elusive, evidence suggests that neuronal oscillations may play a key role in this process, with different rhythms influencing both local computation and long-range communication. To investigate this question, we recorded multiple single unit and local field potential (LFP activity from microelectrode arrays implanted bilaterally in macaque motor areas. Monkeys performed a delayed center-out reach task either manually using their natural arm (Manual Control, MC or under direct neural control through a brain-machine interface (Brain Control, BC. In accord with prior work, we found that the spiking activity of individual neurons is coupled to multiple aspects of the ongoing motor beta rhythm (10-45 Hz during both MC and BC, with neurons exhibiting a diversity of coupling preferences. However, here we show that for identified single neurons, this beta-to-rate mapping can change in a reversible and task-dependent way. For example, as beta power increases, a given neuron may increase spiking during MC but decrease spiking during BC, or exhibit a reversible shift in the preferred phase of firing. The within-task stability of coupling, combined with the reversible cross-task changes in coupling, suggest that task-dependent changes in the beta-to-rate mapping play a role in the transient functional reorganization of neural ensembles. We characterize the range of task-dependent changes in the mapping from beta amplitude, phase, and inter-hemispheric phase differences to the spike rates of an ensemble of simultaneously-recorded neurons, and discuss the potential implications that dynamic remapping from oscillatory activity to
Direct state reconstruction with coupling-deformed pointer observables
Zhu, Xuanmin; Zhang, Yu-Xiang; Wu, Shengjun
2016-06-01
Direct state tomography (DST) using weak measurements has received wide attention. Based on the concept of coupling-deformed pointer observables presented by Zhang et al. [Y.-X. Zhang, S. Wu, and Z.-B. Chen, Phys. Rev. A 93, 032128 (2016), 10.1103/PhysRevA.93.032128], a modified direct state tomography (MDST) is proposed, examined, and compared with other typical state tomography schemes. MDST has exact validity for measurements of any strength. We identify the strength needed to attain the highest efficiency level of MDST by using statistical theory. MDST is much more efficient than DST in the sense that far fewer samples are needed to reach DST's level of reconstruction accuracy. Moreover, MDST has no inherent bias when compared to DST.
The detection of transient directional couplings based on phase synchronization
Wagner, T; Fell, J; Lehnertz, K, E-mail: twagner@uni-bonn.d [Department of Epileptology, University of Bonn, Sigmund-Freud-Strasse 25, 53127 Bonn (Germany)
2010-05-15
We extend recent approaches based on the concept of phase synchronization to enable the time-resolved investigation of directional relationships between coupled dynamical systems from short and transient noisy time series. For our approach, we consider an observed ensemble of a sufficiently large number of time series as multiple realizations of a process. We derive an index that quantifies the direction of transient interactions and assess its statistical significance using surrogate techniques. Analysing time series from noisy and chaotic systems, we demonstrate numerically the applicability and limitations of our approach. Our findings from an exemplary application to event-related brain activities underline the importance of our method for improving knowledge about the mechanisms underlying memory formation in humans.
Directly tailoring photon-electron coupling for sensitive photoconductance
Huang, Zhiming; Zhou, Wei; Huang, Jingguo; Wu, Jing; Gao, Yanqing; Qu, Yue; Chu, Junhao
2016-03-01
The coupling between photons and electrons is at the heart of many fundamental phenomena in nature. Despite tremendous advances in controlling electrons by photons in engineered energy-band systems, control over their coupling is still widely lacking. Here we demonstrate an unprecedented ability to couple photon-electron interactions in real space, in which the incident electromagnetic wave directly tailors energy bands of solid to generate carriers for sensitive photoconductance. By spatially coherent manipulation of metal-wrapped material system through anti-symmetric electric field of the irradiated electromagnetic wave, electrons in the metals are injected and accumulated in the induced potential well (EIW) produced in the solid. Respective positive and negative electric conductances are easily observed in n-type and p-type semiconductors into which electrons flow down from the two metallic sides under light irradiation. The photoconductivity is further confirmed by sweeping the injected electrons out of the semiconductor before recombination applied by sufficiently strong electric fields. Our work opens up new perspectives for tailoring energy bands of solids and is especially relevant to develop high effective photon detection, spin injection, and energy harvesting in optoelectronics and electronics.
Direct multi-scale reconstruction of velocity fields from measurements of particle tracks
Kelley, Douglas H
2010-01-01
We present a method for reconstructing two-dimensional velocity fields at specified length scales using observational data from tracer particles in a flow, without the need for interpolation or smoothing. The algorithm, adapted from techniques proposed for oceanography, involves a least-squares projection of the measurements onto a set of two-dimensional, incompressible basis modes with known length scales. Those modes are constructed from components of the velocity potential function, which accounts for inflow and outflow at the open boundaries of the measurement region; and components of the streamfunction, which accounts for the remainder of the flow. All calculations are evaluated at particle locations, without interpolation onto an arbitrary grid. Since the modes have a well-defined length scales, scale-local flow properties are available directly. The technique eliminates outlier particles automatically and reduces the apparent compressibility of the data. Moreover the technique can be used to produce s...
Waveguide-coupled directional Raman radiation for surface analysis.
Chen, Chen; Li, Jin-Yang; Wang, Li; Lu, Dan-Feng; Qi, Zhi-Mei
2015-09-01
Kretschmann-type waveguide structures, including Plasmon Waveguide (PW) and Resonant Mirror (RM), have been applied in interfacial Raman spectroscopy due to the following unique features: (1) unlike the classic surface enhanced Raman scattering (SERS) substrates made of either gold or silver, both PW and RM can be prepared using a large variety of inexpensive materials; (2) the field enhancement factors using these structures can be theoretically predicted and experimentally controlled, which enables us to manipulate the surface Raman sensitivity with high repeatability; (3) the use of transverse electric (TE) and transverse magnetic (TM) modes for Raman excitation allows us to evaluate the orientation of target molecules immobilized on the waveguide surface; (4) the unwanted impact of noble metals on the Raman fingerprints of target molecules, which is often observed for conventional SERS substrates, can be avoided upon the use of dielectric waveguides. In this paper, guided-mode-coupled directional Raman emission, which is an additional important feature of the waveguide Raman technique, was theoretically investigated based on the optical reciprocity theorem combined with the Fresnel equations. The simulation results indicate that the directional Raman emission from a dipole located within the field confinement and penetration depth of a guided mode depends on both the orientation of the dipole and its distance from the waveguide surface. Raman light from the TE-oriented dipoles is launched into the prism coupler at the TE-mode resonance angle and that from the non-TE-oriented dipoles propagates at the TM-mode resonance angle. The intensity of the guided-mode-excited Raman signal propagating at the mode resonance angle is proportional to the fourth power of the mode field (E(4)) at the depth of the dipole from the waveguide surface. This means that the guided-mode-excited and guided-mode-coupled directional Raman spectroscopy has a detection depth that is as
Malinauskas, Mangirdas; Lukoševičius, Laurynas; MackevičiÅ«tÄ--, DovilÄ--; BalčiÅ«nas, Evaldas; RekštytÄ--, Sima; Paipulas, Domas
2014-05-01
A novel approach for efficient manufacturing of three-dimensional (3D) microstructured scaffolds designed for cell studies and tissue engineering applications is presented. A thermal extrusion (fused filament fabrication) 3D printer is employed as a simple and low-cost tabletop device enabling rapid materialization of CAD models out of biocompatible and biodegradable polylactic acid (PLA). Here it was used to produce cm- scale microporous (pore size varying from 100 to 400 µm) scaffolds. The fabricated objects were further laser processed in a direct laser writing (DLW) subtractive (ablation) and additive (lithography) manners. The first approach enables precise surface modification by creating micro-craters, holes and grooves thus increasing the surface roughness. An alternative way is to immerse the 3D PLA scaffold in a monomer solution and use the same DLW setup to refine its inner structure by fabricating dots, lines or a fine mesh on top as well as inside the pores of previously produced scaffolds. The DLW technique is empowered by ultrafast lasers - it allows 3D structuring with high spatial resolution in a great variety of photosensitive materials. Structure geometry on macro- to micro- scales could be finely tuned by combining these two fabrication techniques. Such artificial 3D substrates could be used for cell growth or as biocompatible-biodegradable implants. This combination of distinct material processing techniques enables rapid fabrication of diverse functional micro- featured and integrated devices. Hopefully, the proposed approach will find numerous applications in the field of ms, microfluidics, microoptics and many others.
Direct Formation of Supermassive Black Holes via Multi-Scale Gas Inflows in Galaxy Mergers
Mayer, Lucio; Escala, Andres; Callegari, Simone
2009-01-01
Observations of distant bright quasars suggest that billion solar mass supermassive black holes (SMBHs) were already in place less than a billion years after the Big Bang. Models in which light black hole seeds form by the collapse of primordial metal-free stars cannot explain their rapid appearance due to inefficient gas accretion. Alternatively, these black holes may form by direct collapse of gas at the center of protogalaxies. However, this requires metal-free gas that does not cool efficiently and thus is not turned into stars, in contrast with the rapid metal enrichment of protogalaxies. Here we use a numerical simulation to show that mergers between massive protogalaxies naturally produce the required central gas accumulation with no need to suppress star formation. Merger-driven gas inflows produce an unstable, massive nuclear gas disk. Within the disk a second gas inflow accumulates more than 100 million solar masses of gas in a sub-parsec scale cloud in one hundred thousand years. The cloud undergoe...
Sleep-dependent directional coupling between human neocortex and hippocampus.
Wagner, Tobias; Axmacher, Nikolai; Lehnertz, Klaus; Elger, Christian E; Fell, Jürgen
2010-02-01
Complex interactions between neocortex and hippocampus are the neural basis of memory formation. Two-step theories of memory formation suggest that initial encoding of novel information depends on the induction of rapid plasticity within the hippocampus, and is followed by a second sleep-dependent step of memory consolidation. These theories predict information flow from the neocortex into the hippocampus during waking state and in the reverse direction during sleep. However, experimental evidence that interactions between hippocampus and neocortex have a predominant direction which reverses during sleep rely on cross-correlation analysis of data from animal experiments and yielded inconsistent results. Here, we investigated directional coupling in intracranial EEG data from human subjects using a phase-modeling approach which is well suited to reveal functional interdependencies in oscillatory data. In general, we observed that the anterior hippocampus predominantly drives nearby and remote brain regions. Surprisingly, however, the influence of neocortical regions on the hippocampus significantly increased during sleep as compared to waking state. These results question the standard model of hippocampal-neocortical interactions and suggest that sleep-dependent consolidation is accomplished by an active retrieval of hippocampal information by the neocortex.
Coupled motions direct electrons along human microsomal P450 Chains.
Christopher R Pudney
2011-12-01
Full Text Available Protein domain motion is often implicated in biological electron transfer, but the general significance of motion is not clear. Motion has been implicated in the transfer of electrons from human cytochrome P450 reductase (CPR to all microsomal cytochrome P450s (CYPs. Our hypothesis is that tight coupling of motion with enzyme chemistry can signal "ready and waiting" states for electron transfer from CPR to downstream CYPs and support vectorial electron transfer across complex redox chains. We developed a novel approach to study the time-dependence of dynamical change during catalysis that reports on the changing conformational states of CPR. FRET was linked to stopped-flow studies of electron transfer in CPR that contains donor-acceptor fluorophores on the enzyme surface. Open and closed states of CPR were correlated with key steps in the catalytic cycle which demonstrated how redox chemistry and NADPH binding drive successive opening and closing of the enzyme. Specifically, we provide evidence that reduction of the flavin moieties in CPR induces CPR opening, whereas ligand binding induces CPR closing. A dynamic reaction cycle was created in which CPR optimizes internal electron transfer between flavin cofactors by adopting closed states and signals "ready and waiting" conformations to partner CYP enzymes by adopting more open states. This complex, temporal control of enzyme motion is used to catalyze directional electron transfer from NADPH→FAD→FMN→heme, thereby facilitating all microsomal P450-catalysed reactions. Motions critical to the broader biological functions of CPR are tightly coupled to enzyme chemistry in the human NADPH-CPR-CYP redox chain. That redox chemistry alone is sufficient to drive functionally necessary, large-scale conformational change is remarkable. Rather than relying on stochastic conformational sampling, our study highlights a need for tight coupling of motion to enzyme chemistry to give vectorial electron
Strongly Coupled Semi-Direct Mediation of Supersymmetry Breaking
Ibe, M.; /SLAC; Izawa, K.-I.; /Kyoto U., Yukawa Inst., Kyoto /Tokyo U., IPMU; Nakai, Y.; /Kyoto U., Yukawa Inst., Kyoto
2011-09-13
Supersymmetry (SUSY) is expected to be a crucial ingredient of basic laws in Nature. It is an attractive possibility that SUSY is broken at low energy within the experimental reach in the near future. Among others, low-energy dynamics with gauge mediation between a hidden sector of SUSY breaking and the visible sector of SUSY standard model may be phenomenologically viable. In particular, the gauge interactions are flavor blind, so that the unwanted flavor-changing processes are naturally suppressed. Strongly coupled semi-direct gauge mediation models of supersymmetry breaking through massive mediators with standard model charges are investigated by means of composite degrees of freedom. Sizable mediation is realized to generate the standard model gaugino masses for a small mediator mass without breaking the standard model symmetries.
The ability of a coupled meteorology–chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere h...
The ability of a coupled meteorology–chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere h...
Abdullah, Abdulmuin; Alqahtani, Saad; Nishat, Md Rezaul Karim; Ahmed, Shaikh; SIU Nanoelectronics Research Group Team
Recently, hybrid ZnO nanostructures (such as ZnO deposited on ZnO-alloys, Si, GaN, polymer, conducting oxides, and organic compounds) have attracted much attention for their possible applications in optoelectronic devices (such as solar cells, light emitting and laser diodes), as well as in spintronics (such as spin-based memory, and logic). However, efficiency and performance of these hybrid ZnO devices strongly depend on an intricate interplay of complex, nonlinear, highly stochastic and dynamically-coupled structural fields, charge, and thermal transport processes at different length and time scales, which have not yet been fully assessed experimentally. In this work, we study the effects of these coupled processes on the electronic and optical emission properties in nanostructured ZnO devices. The multiscale computational framework employs the atomistic valence force-field molecular mechanics, models for linear and non-linear polarization, the 8-band sp3s* tight-binding models, and coupling to a TCAD toolkit to determine the terminal properties of the device. A series of numerical experiments are performed (by varying different nanoscale parameters such as size, geometry, crystal cut, composition, and electrostatics) that mainly aim to improve the efficiency of these devices. Supported by the U.S. National Science Foundation Grant No. 1102192.
Zhai, Lu-Sheng; Zong, Yan-Bo; Wang, Hong-Mei; Yan, Cong; Gao, Zhong-Ke; Jin, Ning-De
2017-03-01
Horizontal oil-water two-phase flows often exist in many industrial processes. Uncovering the dynamic mechanism of the flow pattern transition is of great significance for modeling the flow parameters. In this study we propose a method called multi-scale distribution entropy (MSDE) in a coupled 3D phase space, and use it to characterize the flow pattern transitions in horizontal oil-water two-phase flows. Firstly, the proposed MSDE is validated with Lorenz system and ARFIMA processes. Interestingly, it is found that the MSDE is dramatically associated with the cross-correlations of the coupled time series. Then, through conducting the experiment of horizontal oil-water two-phase flows, the upstream and downstream flow information is collected using a conductance cross-correlation velocity probe. The coupled cross-correlated signals are investigated using the MSDE method, and the results indicate that the MSDE is an effective tool uncovering the complex dynamic behaviors of flow pattern transitions.
Renewable Water: Direct Contact Membrane Distillation Coupled With Solar Ponds
Suarez, F. I.; Tyler, S. W.; Childress, A. E.
2010-12-01
The exponential population growth and the accelerated increase in the standard of living have increased significantly the global consumption of two precious resources: water and energy. These resources are intrinsically linked and are required to allow a high quality of human life. With sufficient energy, water may be harvested from aquifers, treated for potable reuse, or desalinated from brackish and seawater supplies. Even though the costs of desalination have declined significantly, traditional desalination systems still require large quantities of energy, typically from fossil fuels that will not allow these systems to produce water in a sustainable way. Recent advances in direct contact membrane distillation can take advantage of low-quality or renewable heat to desalinate brackish water, seawater or wastewater. Direct contact membrane distillation operates at low pressures and can use small temperature differences between the feed and permeate water to achieve a significant freshwater production. Therefore, a much broader selection of energy sources can be considered to drive thermal desalination. A promising method for providing renewable source of heat for direct contact membrane distillation is a solar pond, which is an artificially stratified water body that captures solar radiation and stores it as thermal energy at the bottom of the pond. In this work, a direct contact membrane distillation/solar pond coupled system is modeled and tested using a laboratory-scale system. Freshwater production rates on the order of 2 L day-1 per m2 of solar pond (1 L hr-1 per m2 of membrane area) can easily be achieved with minimal operating costs and under low pressures. While these rates are modest, they are six times larger than those produced by other solar pond-powered desalination systems - and they are likely to be increased if heat losses in the laboratory-scale system are reduced. Even more, this system operates at much lower costs than traditional desalination
J. E. Pleim
2012-08-01
Full Text Available Atmospheric ammonia (NH3 is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurements indicate that the air-surface exchange of NH3 is bi-directional. However, the effects of bi-directional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency (EPA's Community Multiscale Air-Quality (CMAQ model with bi-directional NH3 exchange has been coupled with the United States Department of Agriculture (USDA's Environmental Policy Integrated Climate (EPIC agro-ecosystem model's nitrogen geochemistry algorithms. CMAQ with bi-directional NH3 exchange coupled to EPIC connects agricultural cropping management practices to emissions and atmospheric concentrations of reduced nitrogen and models the biogeochemical feedback on NH3 air-surface exchange. This coupled modeling system reduced the biases and error in NHx (NH3 + NH4+ wet deposition and in ambient aerosol concentrations in an annual 2002 Continental US (CONUS domain simulation when compared to a 2002 annual simulation of CMAQ without bi-directional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bi-directional exchange exhibits markedly different seasonal dynamics than the US EPA's National Emissions Inventory (NEI, with lower emissions in the spring and fall and higher emissions in July.
LAN Zeying
2016-08-01
Full Text Available Texture features based on grey level co-occurrence matrix (GLCM are effective for image analysis, and this paper proposed a new method to construct GLCM with multi-scales and cardinal direction factors inspired by domain knowledge, in order to improve the performance of texture features and solve the uncertainty problems in image classification of land-use. By simulating the process of human visual interpretation, an integrated computation pattern of GIS and RS data were performed. Firstly, on the basis of image registration, some classic GIS spatial data mining algorithms were employed to asymptotically extract domain morphological knowledge; Next, under the responding mechanism derived from correlated analysis, an algorithm for establishing GLCM multi-scale windows that can match categories one by one, an algorithm for determining GLCM weighted cardinal direction windows that can describe observation orientation were designed based on relevant morphology indexes. Experimental results indicate that, there is a strong correlation between domain morphological knowledge and GLCM construction factors, meanwhile, with lower computational complexity, the new method can extract stable texture features to describe actual spatial meanings of complex objects, thereby improve the image classification accuracy of land-use.
A Quantified Description of the Coupling between the Reaching Direction and Elbow Axis Direction
M. M. Stanišić
2007-01-01
Full Text Available The human body continues to be an inspiration for the work of a myriad of different fields, both scientific and mathematic. In particular, robotics draws upon the motions and relationships of different human systems in order to reproduce similar mobility while performing different tasks. The human shoulder–arm–elbow complex has been one of the most difficult to exactly replicate. This paper examines the relationship between the motion of the shoulder while positioning the center of the wrist during voluntary arm movements and the resulting orientation of the arm, in particular the direction of the axis passing through the elbow joint. Experimental data is presented that was used to quantify this coupling between the reaching direction of the arm and the elbow axis direction. The results from this paper are two surface-fit equations that can be used to determine the elbow axis direction when given the location of the wrist center. These results are useful when considering the design and control of shoulder–arm–elbow complex models.
Statistics of Multiscale Fluctuations in Macromolecular Systems
Yukalov, V I
2012-01-01
An approach is suggested for treating multiscale fluctuations in macromolecular systems. The emphasis is on the statistical properties of such fluctuations. The approach is illustrated by a macromolecular system with mesoscopic fluctuations between the states of atomic orbitals. Strong-orbital and weak-orbital couplings fluctuationally arise, being multiscale in space and time. Statistical properties of the system are obtained by averaging over the multiscale fluctuations. The existence of such multiscale fluctuations causes phase transitions between strong-coupling and weak-coupling states. These transitions are connected with structure and size transformations of macromolecules. An approach for treating density and size multiscale fluctuations by means of classical statistical mechanics is also advanced.
Direct catalytic cross-coupling of organolithium compounds
Giannerini, Massimo; Fananas Mastral, Martin; Feringa, Ben L.
2013-01-01
Catalytic carbon-carbon bond formation based on cross-coupling reactions plays a central role in the production of natural products, pharmaceuticals, agrochemicals and organic materials. Coupling reactions of a variety of organometallic reagents and organic halides have changed the face of modern sy
Lin, M.; Holloway, T.; Oki, T.; Streets, D. G.; Richter, A.
2008-12-01
Mechanisms controlling surface ozone (O3) over East Asia are examined using the regional Community Multiscale Air Quality (CMAQ) model at two horizontal scales: 81 km and 27 km. Through sensitivity studies and comparison with recently available satellite data and surface measurements in China and Japan, we find that the O3 budget over East Asia shows complex interactions among photochemical production, regional transport, meteorological conditions, burning of agricultural residues, and global inflows. For example, wintertime surface O3 over northern domain is sensitive to boundary conditions derived from the MOZART (Model for Ozone and Related Tracers) global model, whereas summertime O3 budget is controlled by the competitive processes between photochemical production and monsoonal intrusion of low-O3 marine air masses from tropical Pacific. We find that simulated surface O3 for 2001 does not exhibit the same sharp drop in July and August concentrations that is observed at two mountaintop sites (Tai and Hua) for 2004 and Beijing for 1995-2005. CMAQ sensitivity tests with two widely used photochemical schemes demonstrate that over the industrial areas in East Asia north of 30° N, SAPRC99 produces higher values of mean summertime O3 than CBIV, amounting to a difference of 10 ppb. In addition, analysis of NCEP winds and geopotential heights suggests that southwesterly monsoonal intrusion in central east China is weakened in August 2001 as compared with the climatologically mean for 1980-2005. Further examination of the O3 diurnal cycle at nine Japanese sites shows that boundary layer evolution has an important effect on the vertical mixing of ground-level O3, and error in near surface meteorology might contribute to overprediction of nighttime O3 in urban and rural areas. In conclusion, the uncertainties in simulating cloud activities and convection mixing, Asian monsoon circulation, photochemical production, and nighttime cooling explain why CMAQ with 81 km
M. Lin
2008-12-01
Full Text Available Mechanisms controlling surface ozone (O_{3} over East Asia are examined using the regional Community Multiscale Air Quality (CMAQ model at two horizontal scales: 81 km and 27 km. Through sensitivity studies and comparison with recently available satellite data and surface measurements in China and Japan, we find that the O_{3} budget over East Asia shows complex interactions among photochemical production, regional transport, meteorological conditions, burning of agricultural residues, and global inflows. For example, wintertime surface O_{3} over northern domain is sensitive to boundary conditions derived from the MOZART (Model for Ozone and Related Tracers global model, whereas summertime O_{3} budget is controlled by the competitive processes between photochemical production and monsoonal intrusion of low-O_{3} marine air masses from tropical Pacific. We find that simulated surface O_{3} for 2001 does not exhibit the same sharp drop in July and August concentrations that is observed at two mountaintop sites (Tai and Hua for 2004 and Beijing for 1995–2005. CMAQ sensitivity tests with two widely used photochemical schemes demonstrate that over the industrial areas in East Asia north of 30° N, SAPRC99 produces higher values of mean summertime O_{3} than CBIV, amounting to a difference of 10 ppb. In addition, analysis of NCEP winds and geopotential heights suggests that southwesterly monsoonal intrusion in central east China is weakened in August 2001 as compared with the climatologically mean for 1980–2005. Further examination of the O_{3} diurnal cycle at nine Japanese sites shows that boundary layer evolution has an important effect on the vertical mixing of ground-level O_{3}, and error in near surface meteorology might contribute to overprediction of nighttime O_{3} in urban and rural areas. In conclusion, the uncertainties in simulating cloud activities and
Directional coupling in channel plasmon-polariton waveguides
Zenin, Volodymyr; Volkov, Valentyn S.; Han, Zhanghua
2012-01-01
) technique in a 2-μm-thick gold film and characterized at telecom wavelengths (1425-1630 nm) with near-field optical microscopy. Experimental results reveal strong coupling, resulting in approximately equal power splitting between DC-CPPWs, for small CPPW separations (0.08 and 0.25 µm). The coupling...... gradually deteriorates with the increase of separation between V-grooves and practically vanishes for the separation of 2 µm. The DC-CPPW characteristics observed are found in good agreement with finite-element method (implemented in COMSOL) simulations....
Ana Belén Petro
2014-04-01
Full Text Available While the retinex theory aimed at explaining human color perception, its derivations have led to efficient algorithms enhancing local image contrast, thus permitting among other features, to "see in the shadows". Among these derived algorithms, Multiscale Retinex is probably the most successful center-surround image filter. In this paper, we offer an analysis and implementation of Multiscale Retinex. We point out and resolve some ambiguities of the method. In particular, we show that the important color correction final step of the method can be seriously improved. This analysis permits to come up with an automatic implementation of Multiscale Retinex which is as faithful as possible to the one described in the original paper. Overall, this implementation delivers excellent results and confirms the validity of Multiscale Retinex for image color restoration and contrast enhancement. Nevertheless, while the method parameters can be fixed, we show that a crucial choice must be left to the user, depending on the lightning condition of the image: the method must either be applied to each color independently if a color balance is required, or to the luminance only if the goal is to achieve local contrast enhancement. Thus, we propose two slightly different algorithms to deal with both cases.
Direct measurement of second-order coupling in a waveguide lattice
Keil, Robert; Heilmann, René; Gräfe, Markus; Weihs, Gregor; Szameit, Alexander
2015-01-01
We measure the next-nearest-neighbour coupling in an array of coupled optical waveguides directly via an integrated eigenmode interferometer. In contrast to light propagation experiments, the technique is insensitive to nearest-neighbour dynamics. Our results show that second-order coupling in a linear configuration can be suppressed well below the level expected from the exponential decay of the guided modes.
Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media
Saad, Ahmed Mohamed
2016-06-01
In this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational times by MC simulations from hours to seconds. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and the Darcy\\'s one in reservoir simulators. This leads to an accurate description of thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
Estimation of the direction of the coupling by conditional probabilities of recurrence.
Romano, M Carmen; Thiel, Marco; Kurths, Jürgen; Grebogi, Celso
2007-09-01
We introduce a method to detect and quantify the asymmetry of the coupling between two interacting systems based on their recurrence properties. This method can detect the direction of the coupling in weakly as well as strongly coupled systems. It even allows detecting the asymmetry of the coupling in the more challenging case of structurally different systems and it is very robust against noise. We also address the problem of detecting the asymmetry of the coupling in passive experiments, i.e., when the strength of the coupling cannot be systematically changed, which is of great relevance for the analysis of experimental time series.
ANALYSIS OF MULTISCALE METHODS
Wei-nan E; Ping-bing Ming
2004-01-01
The heterogeneous multiscale method gives a general framework for the analysis of multiscale methods. In this paper, we demonstrate this by applying this framework to two canonical problems: The elliptic problem with multiscale coefficients and the quasicontinuum method.
Design and Analysis of Compact Directionally Coupled Bistable Laser Diodes
Mitsuru; Takenaka; Yoshiaki; Nakano
2003-01-01
A compact optical flip-flop with a directional coupler has been designed and analyzed. Using a narrow gap directional coupler, we have predicted the device length could be reduced down to 500μm from 1300μm.
Design and Analysis of Compact Directionally Coupled Bistable Laser Diodes
Mitsuru Takenaka; Yoshiaki Nakano
2003-01-01
A compact optical flip-flop with a directional coupler has been designed and analyzed. Using a narrow gap directional coupler, we have predicted the device length could be reduced down to 500 μm from 1300 μm.
Inequivalence of direct and converse magnetoelectric coupling at electromechanical resonance
Wu, Gaojian; Nan, Tianxiang; Zhang, Ru; Zhang, Ning; Li, Shandong; Sun, Nian X.
2013-10-01
Resonant direct and converse magnetoelectric (ME) effects have been investigated experimentally and theoretically in FeGa/PZT/FeGa sandwich laminate composites under the same electric and magnetic bias conditions. Resonant direct ME effect (DME) occurs at antiresonance frequency while resonant converse ME effect (CME) occurs at resonance frequency. The antiresonance and resonance frequencies have close but different values under identical bias conditions. The magnitudes of resonant effective ME coefficients for direct and converse ME effects are also not equal. A model was developed to describe the frequency response of DME and CME in laminate composite, which was in good agreement with experimental results.
Alemani, Davide; Pappalardo, Francesco; Pennisi, Marzio; Motta, Santo; Brusic, Vladimir
2012-02-28
In the last decades the Lattice Boltzmann method (LB) has been successfully used to simulate a variety of processes. The LB model describes the microscopic processes occurring at the cellular level and the macroscopic processes occurring at the continuum level with a unique function, the probability distribution function. Recently, it has been tried to couple deterministic approaches with probabilistic cellular automata (probabilistic CA) methods with the aim to model temporal evolution of tumor growths and three dimensional spatial evolution, obtaining hybrid methodologies. Despite the good results attained by CA-PDE methods, there is one important issue which has not been completely solved: the intrinsic stochastic nature of the interactions at the interface between cellular (microscopic) and continuum (macroscopic) level. CA methods are able to cope with the stochastic phenomena because of their probabilistic nature, while PDE methods are fully deterministic. Even if the coupling is mathematically correct, there could be important statistical effects that could be missed by the PDE approach. For such a reason, to be able to develop and manage a model that takes into account all these three level of complexity (cellular, molecular and continuum), we believe that PDE should be replaced with a statistic and stochastic model based on the numerical discretization of the Boltzmann equation: The Lattice Boltzmann (LB) method. In this work we introduce a new hybrid method to simulate tumor growth and immune system, by applying Cellular Automata Lattice Boltzmann (CA-LB) approach. Copyright © 2011 Elsevier B.V. All rights reserved.
Direct activation of allylic alcohols in palladium catalyzed coupling reactions
Gümrükçü, Y.
2014-01-01
The direct use of allylic alcohols in substitution reactions without pre-activation of the hydroxyl-group into a better leaving group or the use of additional stoichiometric in situ activators remains challenging due to the poor leaving group ability of the hydroxyl-group. Hence, it is important to
Direct and Indirect Couplings in Coherent Feedback Control of Linear Quantum Systems
Zhang, Guofeng
2010-01-01
The purpose of this paper is to study and design direct and indirect couplings for use in coherent feedback control of a class of linear quantum stochastic systems. A general physical model for a nominal linear quantum system coupled directly and indirectly to external systems is presented. Fundamental properties of stability, dissipation, passivity, and gain for this class of linear quantum models are presented and characterized using complex Lyapunov equations and linear matrix inequalities (LMIs). Coherent $H^\\infty$ and LQG synthesis methods are extended to accommodate direct couplings using multistep optimization. Examples are given to illustrate the results.
Direct Photonic-Plasmonic Coupling and Routing in Single Nanowires
Yan, Rouxue; Pausauskie, Peter; Huang, Jiaxing; Yang, Piedong
2009-10-20
Metallic nanoscale structures are capable of supporting surface plasmon polaritons (SPPs), propagating collective electron oscillations with tight spatial confinement at the metal surface. SPPs represent one of the most promising structures to beat the diffraction limit imposed by conventional dielectric optics. Ag nano wires have drawn increasing research attention due to 2D sub-100 nm mode confinement and lower losses as compared with fabricated metal structures. However, rational and versatile integration of Ag nanowires with other active and passive optical components, as well as Ag nanowire based optical routing networks, has yet to be achieved. Here, we demonstrate that SPPs can be excited simply by contacting a silver nanowire with a SnO2 nanoribbon that serves both as an unpolarized light source and a dielectric waveguide. The efficient coupling makes it possible to measure the propagation-distance-dependent waveguide spectra and frequency-dependent propagation length on a single Ag nanowire. Furthermore, we have demonstrated prototypical photonic-plasmonic routing devices, which are essential for incorporating low-loss Ag nanowire waveguides as practical components into high-capacity photonic circuits.
Modification of the Clarkson-Kruskal Direct Method for a Coupled System
QIAN Su-Ping; TIAN Li-Xin
2007-01-01
A new idea is put forward to modify the Clarkson-Kruskal (CK) direct method. Using the usual CK direct method to a coupled KdV system, two types of usual similarity reductions can be obtained. However, the application of the modified CK direct method leads to three types of new similarity reductions different from the usual ones.
Direct activation of allylic alcohols in palladium catalyzed coupling reactions
Gümrükçü, Y.
2014-01-01
The direct use of allylic alcohols in substitution reactions without pre-activation of the hydroxyl-group into a better leaving group or the use of additional stoichiometric in situ activators remains challenging due to the poor leaving group ability of the hydroxyl-group. Hence, it is important to develop new methods to activate (bio-mass derived) allyl-alcohols, which allow ‘green’ chemical processes for a broad substrate range. This may have a considerable impact on the methodology for fin...
Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling
Du, Qiang [Pennsylvania State Univ., State College, PA (United States)
2014-11-12
The rational design of materials, the development of accurate and efficient material simulation algorithms, and the determination of the response of materials to environments and loads occurring in practice all require an understanding of mechanics at disparate spatial and temporal scales. The project addresses mathematical and numerical analyses for material problems for which relevant scales range from those usually treated by molecular dynamics all the way up to those most often treated by classical elasticity. The prevalent approach towards developing a multiscale material model couples two or more well known models, e.g., molecular dynamics and classical elasticity, each of which is useful at a different scale, creating a multiscale multi-model. However, the challenges behind such a coupling are formidable and largely arise because the atomistic and continuum models employ nonlocal and local models of force, respectively. The project focuses on a multiscale analysis of the peridynamics materials model. Peridynamics can be used as a transition between molecular dynamics and classical elasticity so that the difficulties encountered when directly coupling those two models are mitigated. In addition, in some situations, peridynamics can be used all by itself as a material model that accurately and efficiently captures the behavior of materials over a wide range of spatial and temporal scales. Peridynamics is well suited to these purposes because it employs a nonlocal model of force, analogous to that of molecular dynamics; furthermore, at sufficiently large length scales and assuming smooth deformation, peridynamics can be approximated by classical elasticity. The project will extend the emerging mathematical and numerical analysis of peridynamics. One goal is to develop a peridynamics-enabled multiscale multi-model that potentially provides a new and more extensive mathematical basis for coupling classical elasticity and molecular dynamics, thus enabling next
Direct optical measurement of light coupling into planar waveguide by plasmonic nanoparticles
Pennanen, Antti M; 10.1364/OE.21.000A23
2012-01-01
Coupling of light into a thin layer of high refractive index material by plasmonic nanoparticles has been widely studied for application in photovoltaic devices, such as thin-film solar cells. In numerous studies this coupling has been investigated through measurement of e.g. quantum efficiency or photocurrent enhancement. Here we present a direct optical measurement of light coupling into a waveguide by plasmonic nanoparticles. We investigate the coupling efficiency into the guided modes within the waveguide by illuminating the surface of a sample, consisting of a glass slide coated with a high refractive index planar waveguide and plasmonic nanoparticles, while directly measuring the intensity of the light emitted out of the waveguide edge. These experiments were complemented by transmittance and reflectance measurements. We show that the light coupling is strongly affected by thin-film interference, localized surface plasmon resonances of the nanoparticles and the illumination direction (front or rear).
Multiscale modeling in nanomaterials science
Karakasidis, T.E. [Department of Civil Engineering, University of Thessaly, Pedion Areos, GR-38834 Volos (Greece)], E-mail: thkarak@uth.gr; Charitidis, C.A. [National Technical University of Athens, School of Chemical Engineering, 9 Heroon, Polytechniou st., Zografos, GR-157 80 Athens (Greece)
2007-09-15
Nanoscience is an area with increasing interest both in the physicochemical phenomena involved and the potential applications such as silicon carbide films, carbon nanotubes, quantum dots, MEMS etc. These materials exhibit very interesting properties (electronic, optical, mechanical) at various length/time scales necessitating better insight. Modern fabrication techniques, such as CVD, also require better understanding in a wide range of length/time scales, in order to achieve better process control. Multiscale modeling is a new, fast developing and challenging scientific field with contributions from many scientific disciplines in an effort to assure materials simulation across length/time scales. In this paper we present a brief review of recent advances in multiscale materials modeling. First, a classification of existing simulation methods based on time and length scales is presented along with basic principles of the multiscale approach. More specifically, we focus on electronic structure calculations, classical atomistic simulation with molecular dynamics or monte carlo methods at the nano/micro scale, Kinetic Monte Carlo for larger system/time scales and finite elements for very large scales. Then, we present the hierarchical and the hybrid strategies of multiscale modeling to couple these methods. Finally, we deal with selected applications concerning thin film CVD deposition and mechanical behavior of carbon nanotubes and we conclude presenting an overview of future trends of multiscale modeling.
Development of NbTiN-Al direct antenna coupled kinetic inductance detectors
Lankwarden, Y.J.Y.; Endo, A.; Baselmans, J.J.A.; Bruijn, M.P.
2012-01-01
We have developed a coplanar waveguide (CPW) Kinetic Inductance Detector consisting of Al and NbTiN, coupled at its shorted end to a planar antenna. To suppress the odd mode due to direct coupling to sky radiation by the KID we have also developed freestanding metal air bridges
Directional energy focusing on monolayer graphene coupling system
Wei, Buzheng; Yang, Yuguang; Yao, Shuzhi; Xiao, Han; Jian, Shuisheng
2017-03-01
A directional energy focusing system based on parallel-monolayer graphene sheets is proposed and is analytically and numerically investigated in this paper. By properly designing the chemical potential distributions, we obtain a ˜0.8-nm-size focusing point at desired positions with energy enhancement factor of over 2410. The flexible tunability of the transmission properties enables us to shut one parallel pair propagation down and guide the waves to the other branch. The light signal at the focal point is efficiently slowed down to over 10,000 times the speed in vacuum as well. The proposed structure may find potential applications in integrated circuits, on-chip systems or energy storage.
Hoi Shun Lui
2010-01-01
Full Text Available A short review of the receiving-mutual-impedance method (RMIM for mutual coupling compensation in direction finding applications using linear array is conducted. The differences between the conventional-mutual-impedance method (CMIM and RMIM, as well as the three different determination methods for receiving mutual impedance (RMI, will be discussed in details. As an example, direction finding with better accuracies is used for demonstrating the superiority of mutual coupling compensation using RMIM.
Pd(II/HPMoV-Catalyzed Direct Oxidative Coupling Reaction of Benzenes with Olefins
Yasutaka Ishii
2010-03-01
Full Text Available The direct aerobic coupling reaction of arenes with olefins was successfully achieved by the use of Pd(OAc2/molybdovanadophosphoric acid (HPMoV as a key catalyst under 1 atm of dioxygen. This catalytic system could be extended to the coupling reaction of various substituted benzenes with olefins such as acrylates, aclrolein, and ethylene through the direct aromatic C-H bond activation.
CPR-based next-generation multiscale simulators
Cusini, M.; Lukyanov, A.; Natvig, J.; Hajibeygi, H.
2014-01-01
Unconventional Reservoir simulations involve several challenges not only arising from geological heterogeneities, but also from strong nonlinear physical coupling terms. All exiting upscaling and multiscale methods rely on a classical sequential formulation to treat the coupling between the
Directional out-coupling of light from a plasmonic nanowire-nanoparticle junction
Singh, Danveer; G., Aswathy V; Tripathi, Ravi; Kumar, G V Pavan
2015-01-01
We experimentally show how a single Ag nanoparticle (NP) coupled to an Ag nanowire (NW) can convert propagating surface plasmon polaritons to directional photons. By employing dual-excitation Fourier microscopy with spatially filtered collection-optics, we show single- and dual-directional out-coupling of light from NW-NP junction for plasmons excited through glass-substrate and air-superstrate. Furthermore, we show NW-NP junction can influence the directionality of molecular-fluorescence emission, thus functioning as an optical antenna. The results discussed herein may have implications in realizing directional single-photon sources and quantum plasmon circuitry.
Directional out-coupling of light from a plasmonic nanowire-nanoparticle junction.
Singh, Danveer; Dasgupta, Arindam; Aswathy, V G; Tripathi, Ravi P N; Pavan Kumar, G V
2015-03-15
We experimentally show how a single Ag nanoparticle (NP) coupled to an Ag nanowire (NW) can convert propagating surface plasmon polaritons to directional photons. By employing dual-excitation Fourier microscopy with spatially filtered collection-optics, we show single- and dual-directional out-coupling of light from NW-NP junction for plasmons excited through glass-substrate and air-superstrate. Furthermore, we show NW-NP junction can influence the directionality of molecular-fluorescence emission, thus functioning as an optical antenna. The results discussed herein may have implications in realizing directional single-photon sources and quantum plasmon circuitry.
Geometric detection of coupling directions by means of inter-system recurrence networks
Feldhoff, Jan H; Donges, Jonathan F; Marwan, N; Kurths, J; 10.1016/j.physleta.2012.10.008
2013-01-01
We introduce a geometric method for identifying the coupling direction between two dynamical systems based on a bivariate extension of recurrence network analysis. Global characteristics of the resulting inter-system recurrence networks provide a correct discrimination for weakly coupled R\\"ossler oscillators not yet displaying generalised synchronisation. Investigating two real-world palaeoclimate time series representing the variability of the Asian monsoon over the last 10,000 years, we observe indications for a considerable influence of the Indian summer monsoon on climate in Eastern China rather than vice versa. The proposed approach can be directly extended to studying $K>2$ coupled subsystems.
Geometric detection of coupling directions by means of inter-system recurrence networks
Feldhoff, Jan H. [Potsdam Institute for Climate Impact Research, P.O. Box 60 12 03, 14412 Potsdam (Germany); Department of Physics, Humboldt University, Newtonstr. 15, 12489 Berlin (Germany); Donner, Reik V., E-mail: reik.donner@pik-potsdam.de [Potsdam Institute for Climate Impact Research, P.O. Box 60 12 03, 14412 Potsdam (Germany); Donges, Jonathan F. [Potsdam Institute for Climate Impact Research, P.O. Box 60 12 03, 14412 Potsdam (Germany); Department of Physics, Humboldt University, Newtonstr. 15, 12489 Berlin (Germany); Marwan, Norbert [Potsdam Institute for Climate Impact Research, P.O. Box 60 12 03, 14412 Potsdam (Germany); Kurths, Jürgen [Potsdam Institute for Climate Impact Research, P.O. Box 60 12 03, 14412 Potsdam (Germany); Department of Physics, Humboldt University, Newtonstr. 15, 12489 Berlin (Germany); Institute for Complex Systems and Mathematical Biology, University of Aberdeen, Aberdeen AB243UE (United Kingdom)
2012-10-15
We introduce a geometric method for identifying the coupling direction between two dynamical systems based on a bivariate extension of recurrence network analysis. Global characteristics of the resulting inter-system recurrence networks provide a correct discrimination for weakly coupled Rössler oscillators not yet displaying generalised synchronisation. Investigating two real-world palaeoclimate time series representing the variability of the Asian monsoon over the last 10,000 years, we observe indications for a considerable influence of the Indian summer monsoon on climate in Eastern China rather than vice versa. The proposed approach can be directly extended to studying K>2 coupled subsystems.
HUANG Liang-Yu; LUO Xiao-Shu
2006-01-01
@@ We analyse the chaotic dynamics of storage-ring free-electron lasers and report a bi-directional coupled scheme with the coupling strength varied periodically to synchronize two chaotic storage-ring free-electron lasers.
A generalized multiscale finite element method for elastic wave propagation in fractured media
Chung, Eric T.
2016-02-26
In this paper, we consider elastic wave propagation in fractured media applying a linear-slip model to represent the effects of fractures on the wavefield. Fractured media, typically, are highly heterogeneous due to multiple length scales. Direct numerical simulations for wave propagation in highly heterogeneous fractured media can be computationally expensive and require some type of model reduction. We develop a multiscale model reduction technique that captures the complex nature of the media (heterogeneities and fractures) in the coarse scale system. The proposed method is based on the generalized multiscale finite element method, where the multiscale basis functions are constructed to capture the fine-scale information of the heterogeneous, fractured media and effectively reduce the degrees of freedom. These multiscale basis functions are coupled via the interior penalty discontinuous Galerkin method, which provides a block-diagonal mass matrix. The latter is needed for fast computation in an explicit time discretization, which is used in our simulations. Numerical results are presented to show the performance of the presented multiscale method for fractured media. We consider several cases where fractured media contain fractures of multiple lengths. Our numerical results show that the proposed reduced-order models can provide accurate approximations for the fine-scale solution.
Directly Measuring the Tensor Structure of the Scalar Coupling to Gauge Bosons
Stolarski, Daniel; Vega-Morales, Roberto
2012-12-01
Kinematic distributions in the decays of the newly discovered resonance to four leptons can provide a direct measurement of the tensor structure of the particle's couplings to gauge bosons. Even if the particle is shown to be a parity even scalar, measuring this tensor structure is a necessary step in determining if this particle is responsible for giving mass to the Z. We consider a Standard Model like coupling as well as coupling via a dimension five operator to either ZZ or Z\\gamma. We show that using full kinematic information from each event allows discrimination between renormalizable and higher dimensional coupling to ZZ at the 95% confidence level with O(50) signal events, and coupling to Z\\gamma can be distinguished with as few as 20 signal events. This shows that these measurements can be useful even with this year's LHC data.
Zhu, Yuping, E-mail: zhuyuping@126.com [Institute of Geophysics, China Earthquake Administration, Beijing 100081 (China); Chen, Tao; Teng, Yao [Faculty of Civil Engineering and Mechanics, Jiangsu University, Zhenjiang 212013 (China); Liu, Bingfei [Airport College, Civil Aviation University of China, Tianjin 300300 (China); Xue, Lijun [Tianjin Key Laboratory of the Design and Intelligent Control of the Advanced Mechatronical System, School of Mechanical Engineering, Tianjin University of Technology, Tianjin 300384 (China)
2016-11-01
Directionally solidified, polycrystalline Ni–Mn–Ga is studied in this paper. The polycrystalline Ni–Mn–Ga samples were cut at different angles to solidification direction. The magnetic field induced strain under constant stress and the temperature-induced strain under constant magnetic field during the loading–unloading cycle were measured. The experimental results show that the mechanical behavior during the loading–unloading cycle of the material is nonlinear and anisotropic. Based on the experimental results, the effects of multi-field coupling factors, such as stress, magnetic field, temperature and cutting angle on the mechanical behaviors were analyzed. Some useful conclusions were obtained, which will provide guidance for practical applications. - Highlights: • The magnetic-induced strains in different directions are tested. • The temperature-induced strains in different directions are tested. • The effects of coupling factors on directional solidification samples are studied.
Zhou, Diange; Zhou, Junhong; Chen, Hu; Manor, Brad; Lin, Jianhao; Zhang, Jue
2016-01-01
Transcranial direct current stimulation (tDCS) targeting the prefrontal cortex reduces the size and speed of standing postural sway in younger adults, particularly when performing a cognitive dual task. Here, we hypothesized that tDCS would alter the complex dynamics of postural sway as quantified by multiscale entropy (MSE). Twenty healthy older adults completed two study visits. Center-of-pressure (COP) fluctuations were recorded during single-task (i.e., quiet standing) and dual-task (i.e., standing while performing serial subtractions) conditions, both before and after a 20-min session of real or sham tDCS. MSE was used to estimate COP complexity within each condition. The percentage change in complexity from single- to dual-task conditions (i.e., dual-task cost) was also calculated. Before tDCS, COP complexity was lower (p = 0.04) in the dual-task condition as compared to the single-task condition. Neither real nor sham tDCS altered complexity in the single-task condition. As compared to sham tDCS, real tDCS increased complexity in the dual-task condition (p = 0.02) and induced a trend toward improved serial subtraction performance (p = 0.09). Moreover, those subjects with lower dual-task COP complexity at baseline exhibited greater percentage increases in complexity following real tDCS (R = −0.39, p = 0.05). Real tDCS also reduced the dual-task cost to complexity (p = 0.02), while sham stimulation had no effect. A single session of tDCS targeting the prefrontal cortex increased standing postural sway complexity with concurrent non-postural cognitive task. This form of noninvasive brain stimulation may be a safe strategy to acutely improve postural control by enhancing the system's capacity to adapt to stressors. PMID:25963755
Vannitsem, Stephane
2015-01-01
We study a simplified coupled atmosphere-ocean model using the formalism of covariant Lyapunov vectors (CLVs), which link physically-based directions of perturbations to growth/decay rates. The model is obtained via a severe truncation of quasi-geostrophic equations for the two fluids, and includes a simple yet physically meaningful representation of their dynamical/thermodynamical coupling. The model has 36 degrees of freedom, and the parameters are chosen so that a chaotic behaviour is observed. One finds two positive Lyapunov exponents (LEs), sixteen negative LEs, and eighteen near-zero LEs. The presence of many near-zero LEs results from the vast time-scale separation between the characteristic time scales of the two fluids, and leads to nontrivial error growth properties in the tangent space spanned by the corresponding CLVs, which are geometrically very degenerate. Such CLVs correspond to two different classes of ocean/atmosphere coupled modes. The tangent space spanned by the CLVs corresponding to the ...
Dynamic Multiscale Averaging (DMA) of Turbulent Flow
Richard W. Johnson
2012-09-01
A new approach called dynamic multiscale averaging (DMA) for computing the effects of turbulent flow is described. The new method encompasses multiple applications of temporal and spatial averaging, that is, multiscale operations. Initially, a direct numerical simulation (DNS) is performed for a relatively short time; it is envisioned that this short time should be long enough to capture several fluctuating time periods of the smallest scales. The flow field variables are subject to running time averaging during the DNS. After the relatively short time, the time-averaged variables are volume averaged onto a coarser grid. Both time and volume averaging of the describing equations generate correlations in the averaged equations. These correlations are computed from the flow field and added as source terms to the computation on the next coarser mesh. They represent coupling between the two adjacent scales. Since they are computed directly from first principles, there is no modeling involved. However, there is approximation involved in the coupling correlations as the flow field has been computed for only a relatively short time. After the time and spatial averaging operations are applied at a given stage, new computations are performed on the next coarser mesh using a larger time step. The process continues until the coarsest scale needed is reached. New correlations are created for each averaging procedure. The number of averaging operations needed is expected to be problem dependent. The new DMA approach is applied to a relatively low Reynolds number flow in a square duct segment. Time-averaged stream-wise velocity and vorticity contours from the DMA approach appear to be very similar to a full DNS for a similar flow reported in the literature. Expected symmetry for the final results is produced for the DMA method. The results obtained indicate that DMA holds significant potential in being able to accurately compute turbulent flow without modeling for practical
Gβ Regulates Coupling between Actin Oscillators for Cell Polarity and Directional Migration.
Oliver Hoeller
2016-02-01
Full Text Available For directional movement, eukaryotic cells depend on the proper organization of their actin cytoskeleton. This engine of motility is made up of highly dynamic nonequilibrium actin structures such as flashes, oscillations, and traveling waves. In Dictyostelium, oscillatory actin foci interact with signals such as Ras and phosphatidylinositol 3,4,5-trisphosphate (PIP3 to form protrusions. However, how signaling cues tame actin dynamics to produce a pseudopod and guide cellular motility is a critical open question in eukaryotic chemotaxis. Here, we demonstrate that the strength of coupling between individual actin oscillators controls cell polarization and directional movement. We implement an inducible sequestration system to inactivate the heterotrimeric G protein subunit Gβ and find that this acute perturbation triggers persistent, high-amplitude cortical oscillations of F-actin. Actin oscillators that are normally weakly coupled to one another in wild-type cells become strongly synchronized following acute inactivation of Gβ. This global coupling impairs sensing of internal cues during spontaneous polarization and sensing of external cues during directional motility. A simple mathematical model of coupled actin oscillators reveals the importance of appropriate coupling strength for chemotaxis: moderate coupling can increase sensitivity to noisy inputs. Taken together, our data suggest that Gβ regulates the strength of coupling between actin oscillators for efficient polarity and directional migration. As these observations are only possible following acute inhibition of Gβ and are masked by slow compensation in genetic knockouts, our work also shows that acute loss-of-function approaches can complement and extend the reach of classical genetics in Dictyostelium and likely other systems as well.
Mohammadi, Erfan; Zhao, Chuankai; Meng, Yifei; Qu, Ge; Zhang, Fengjiao; Zhao, Xikang; Mei, Jianguo; Zuo, Jian-Min; Shukla, Diwakar; Diao, Ying
2017-07-01
Solution processable semiconducting polymers have been under intense investigations due to their diverse applications from printed electronics to biomedical devices. However, controlling the macromolecular assembly across length scales during solution coating remains a key challenge, largely due to the disparity in timescales of polymer assembly and high-throughput printing/coating. Herein we propose the concept of dynamic templating to expedite polymer nucleation and the ensuing assembly process, inspired by biomineralization templates capable of surface reconfiguration. Molecular dynamic simulations reveal that surface reconfigurability is key to promoting template-polymer interactions, thereby lowering polymer nucleation barrier. Employing ionic-liquid-based dynamic template during meniscus-guided coating results in highly aligned, highly crystalline donor-acceptor polymer thin films over large area (>1 cm2) and promoted charge transport along both the polymer backbone and the π-π stacking direction in field-effect transistors. We further demonstrate that the charge transport anisotropy can be reversed by tuning the degree of polymer backbone alignment.
Dengl, Stefan; Hoffmann, Eike; Grote, Michael; Wagner, Cornelia; Mundigl, Olaf; Georges, Guy; Thorey, Irmgard; Stubenrauch, Kay-Gunnar; Bujotzek, Alexander; Josel, Hans-Peter; Dziadek, Sebastian; Benz, Joerg; Brinkmann, Ulrich
2015-01-01
., Georges, G., Thorey, I., Stubenrauch, K.-G., Bujotzek, A., Josel, H.-P., Dziadek, S., Benz, J., Brinkmann, U. Hapten-directed spontaneous disulfide shuffling: a universal technology for site-directed covalent coupling of payloads to antibodies. PMID:25670234
Directional multimode coupler for planar magnonics: Side-coupled magnetic stripes
Sadovnikov, A. V., E-mail: sadovnikovav@gmail.com; Nikitov, S. A. [Laboratory “Metamaterials,” Saratov State University, Saratov 410012 (Russian Federation); Kotel' nikov Institute of Radioengineering and Electronics, Russian Academy of Sciences, Moscow 125009 (Russian Federation); Beginin, E. N.; Sheshukova, S. E.; Romanenko, D. V.; Sharaevskii, Yu. P. [Laboratory “Metamaterials,” Saratov State University, Saratov 410012 (Russian Federation)
2015-11-16
We experimentally demonstrate spin waves coupling in two laterally adjacent magnetic stripes. By the means of Brillouin light scattering spectroscopy, we show that the coupling efficiency depends both on the magnonic waveguides' geometry and the characteristics of spin-wave modes. In particular, the lateral confinement of coupled yttrium-iron-garnet stripes enables the possibility of control over the spin-wave propagation characteristics. Numerical simulations (in time domain and frequency domain) reveal the nature of intermodal coupling between two magnonic stripes. The proposed topology of multimode magnonic coupler can be utilized as a building block for fabrication of integrated parallel functional and logic devices such as the frequency selective directional coupler or tunable splitter, enabling a number of potential applications for planar magnonics.
Yamaguchi, Takami; Ishikawa, Takuji; Imai, Y; Matsuki, N; Xenos, Mikhail; Deng, Yuefan; Bluestein, Danny
2010-03-01
A major computational challenge for a multiscale modeling is the coupling of disparate length and timescales between molecular mechanics and macroscopic transport, spanning the spatial and temporal scales characterizing the complex processes taking place in flow-induced blood clotting. Flow and pressure effects on a cell-like platelet can be well represented by a continuum mechanics model down to the order of the micrometer level. However, the molecular effects of adhesion/aggregation bonds are on the order of nanometer. A successful multiscale model of platelet response to flow stresses in devices and the ensuing clotting responses should be able to characterize the clotting reactions and their interactions with the flow. This paper attempts to describe a few of the computational methods that were developed in recent years and became available to researchers in the field. They differ from traditional approaches that dominate the field by expanding on prevailing continuum-based approaches, or by completely departing from them, yielding an expanding toolkit that may facilitate further elucidation of the underlying mechanisms of blood flow and the cellular response to it. We offer a paradigm shift by adopting a multidisciplinary approach with fluid dynamics simulations coupled to biophysical and biochemical transport.
Coordinated switching of bacterial flagellar motors: evidence for direct motor-motor coupling?
Hu, Bo; Tu, Yuhai
2013-01-01
The swimming of Escherichia coli is powered by its multiple flagellar motors. Each motor spins either clockwise (CW) or counterclockwise (CCW), under the control of an intracellular regulator, CheY-P. There can be two mechanisms (extrinsic and intrinsic) to coordinate the switching of bacterial motors. The extrinsic one arises from the fact that different motors in the same cell sense a common input (CheY-P) which fluctuates near the motors' response threshold. An alternative, intrinsic mechanism is direct motor-motor coupling which makes synchronized switching energetically favorable. Here, we develop simple models for both mechanisms and uncover their different hallmarks. A quantitative comparison to the recent experiments suggest that the direct coupling mechanism may be accountable for the observed sharp correlation between motors in a single E. coli. Possible origins of this coupling (e.g., hydrodynamic interaction) are discussed. PMID:25167320
Direct and inverse relationships between Riccati systems coupled with multiplicative terms.
Navickas, Z; Vilkas, R; Telksnys, T; Ragulskis, M
2016-01-01
An analytical and computational framework for the derivation of solitary solutions to biological systems describing the cooperation and competition of species and expressed by the system of Riccati equations coupled with multiplicative terms is presented in this paper. It is demonstrated that relationships between these solitary solutions can be either direct or inverse. Thus, an infinitesimal perturbation of one population would lead to an infinitesimal change in the other population - if only both solitary solutions are coupled with the direct relationship. But, in general, that is not true if solitary solutions are coupled with the inverse relationship - an infinitesimal perturbation of one population may result into a non-infinitesimal change in the other population. Necessary and sufficient conditions for the existence of solitary solutions are derived in the space of the system's parameters and initial conditions.
Atomic GHZ States Prepared in Two Directly Coupled Cavities with Virtual Excitations in One Step
杨榕灿; 黄志平; 郭强; 张鹏飞; 钟纯勇; 张天才
2011-01-01
A scheme for one-step preparation of atomic GHZ states in two directly coupled cavities via virtual excitations is proposed. In the whole procedure, the information is carried only in two ground states of A-type atoms, while the excited states of atoms and cavity modes are virtually excited, leading the system to be insensitive to atomic spontaneous emission and photon loss.
MgB2 magnetometer with a directly coupled pick-up loop
Portesi, C.; Mijatovic, D.; Veldhuis, D.; Brinkman, A.; Monticone, E.; Gonnelli, R.S.
2006-01-01
magnetometer with a directly coupled pick-up loop. We used an all in situ technique for fabricating magnesium diboride films, which consists of the co-evaporation of B and Mg by means of an e-gun and a resistive heater respectively. Consequently, we realized the superconducting device, which incorpo
Fang, Xin
2013-07-01
The direct palladium-catalyzed coupling of polyfluoroarenes with aryltrifluoroborates gave the desired products of fluorinated biaryls in good to excellent yields. A diverse set of important functional groups including methoxy, aldehyde, ester, nitro and halide can be well tolerated in the protocol. © 2013 Elsevier B.V. All rights reserved.
MgB2 magnetometer with directly coupled pick-up loop
Portesi, C.; Mijatovic, D.; Veldhuis, Dick; Brinkman, Alexander; Monticone, E.; Gonnelli, R.S.
2006-01-01
magnetometer with a directly coupled pick-up loop. We used an all in situ technique for fabricating magnesium diboride films, which consists of the co-evaporation of B and Mg by means of an e-gun and a resistive heater respectively. Consequently, we realized the superconducting device, which
Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes.
Elsler, B; Schollmeyer, D; Waldvogel, S R
2014-01-01
The first direct oxidative phenol-arene cross-coupling reactions of an iodine-containing guaiacol derivative and the possible over-oxidation products of electron-rich phenols are described. Hereby, a "green" and targeted synthesis for dibenzofurans was developed.
Disentangling the role of laser-coupling in directional breaking of molecules
Song, Qiying; Cui, Sen; Lu, Peifen; Gong, Xiaochun; Ji, Qinying; Lin, Kang; Zhang, Wenbin; Ma, Junyang; Pan, Haifeng; Ding, Jingxin; Kling, Matthias F; Zeng, Heping; He, Feng; Wu, Jian
2016-01-01
The directional control of molecular dissociation with the laser electric field waveform is a paradigm and was demonstrated for a variety of molecules. In most cases, the directional control occurs via a dissociative ionization pathway. The role of laser-induced coupling of electronic states in the dissociating ion versus selective ionization of oriented neutral molecules, however, could not be distinguished for even small heteronuclear molecules such as CO. Here, we introduce a technique, using elliptically polarized pump and linearly polarized two-color probe pulses that unambiguously distinguishes the roles of laser-induced state coupling and selective ionization. The measured photoelectron momentum distributions governed by the light polarizations allow us to coincidently identify the ionization and dissociation from the pump and probe pulses. Directional dissociation of CO+ as a function of the relative phase of the linearly polarized two-color pulse is observed for both parallel and orthogonally oriente...
S. C. Lim
2012-01-01
Full Text Available A new direct operational inversion method is introduced for solving coupled linear systems of ordinary fractional differential equations. The solutions so-obtained can be expressed explicitly in terms of multivariate Mittag-Leffler functions. In the case where the multiorders are multiples of a common real positive number, the solutions can be reduced to linear combinations of Mittag-Leffler functions of a single variable. The solutions can be shown to be asymptotically oscillatory under certain conditions. This technique is illustrated in detail by two concrete examples, namely, the coupled harmonic oscillator and the fractional Wien bridge circuit. Stability conditions and simulations of the corresponding solutions are given.
Disentangling the role of laser coupling in directional breaking of molecules
Song, Qiying; Li, Zhichao; Cui, Sen; Lu, Peifen; Gong, Xiaochun; Ji, Qinying; Lin, Kang; Zhang, Wenbin; Ma, Junyang; Pan, Haifeng; Ding, Jingxin; Kling, Matthias F.; Zeng, Heping; He, Feng; Wu, Jian
2016-11-01
The directional control of molecular dissociation with a laser electric field waveform is a paradigm and was demonstrated for a variety of molecules. In most cases, the directional control occurs via a dissociative ionization pathway. The role of laser-induced coupling of electronic states in the dissociating ion versus selective ionization of oriented neutral molecules, however, could not be distinguished for even small heteronuclear molecules such as CO. Here, we introduce a technique, using elliptically polarized pump and linearly polarized two-color probe pulses, that unambiguously distinguishes the roles of laser-induced state coupling and selective ionization. The measured photoelectron momentum distributions governed by the light polarizations allow us to coincidentally identify the ionization and dissociation from the pump and probe pulses. Directional dissociation of CO+ as a function of the relative phase of the linearly polarized two-color pulse is observed for both parallel and orthogonally oriented molecules. We find that the laser-induced coupling of various electronic states of CO+ plays an important role for the observed directional bond breaking, which is verified by quantum calculations.
Multiscale modelling in immunology: a review.
Cappuccio, Antonio; Tieri, Paolo; Castiglione, Filippo
2016-05-01
One of the greatest challenges in biomedicine is to get a unified view of observations made from the molecular up to the organism scale. Towards this goal, multiscale models have been highly instrumental in contexts such as the cardiovascular field, angiogenesis, neurosciences and tumour biology. More recently, such models are becoming an increasingly important resource to address immunological questions as well. Systematic mining of the literature in multiscale modelling led us to identify three main fields of immunological applications: host-virus interactions, inflammatory diseases and their treatment and development of multiscale simulation platforms for immunological research and for educational purposes. Here, we review the current developments in these directions, which illustrate that multiscale models can consistently integrate immunological data generated at several scales, and can be used to describe and optimize therapeutic treatments of complex immune diseases.
Direct photonic coupling of a semiconductor quantum dot and a trapped ion
Meyer, H M; Steiner, M; Gall, C Le; Matthiesen, C; Clarke, E; Ludwig, A; Reichel, J; Atatüre, M; Köhl, M
2014-01-01
Coupling individual quantum systems lies at the heart of building scalable quantum networks. Here, we report the first direct photonic coupling between a semiconductor quantum dot and a trapped ion and we demonstrate that single photons generated by a quantum dot controllably change the internal state of an $\\textrm{Yb}^+$ ion. We ameliorate the effect of the sixty-fold mismatch of the radiative linewidths with coherent photon generation and a high-finesse fiber-based optical cavity enhancing the coupling between the single photon and the ion. The transfer of information presented here via the classical correlations between the $\\sigma_z$-projection of the quantum-dot spin and the internal state of the ion provides a promising step towards quantum state-transfer in a hybrid photonic network.
Direct photonic coupling of a semiconductor quantum dot and a trapped ion.
Meyer, H M; Stockill, R; Steiner, M; Le Gall, C; Matthiesen, C; Clarke, E; Ludwig, A; Reichel, J; Atatüre, M; Köhl, M
2015-03-27
Coupling individual quantum systems lies at the heart of building scalable quantum networks. Here, we report the first direct photonic coupling between a semiconductor quantum dot and a trapped ion and we demonstrate that single photons generated by a quantum dot controllably change the internal state of a Yb^{+} ion. We ameliorate the effect of the 60-fold mismatch of the radiative linewidths with coherent photon generation and a high-finesse fiber-based optical cavity enhancing the coupling between the single photon and the ion. The transfer of information presented here via the classical correlations between the σ_{z} projection of the quantum-dot spin and the internal state of the ion provides a promising step towards quantum-state transfer in a hybrid photonic network.
Direct drive heavy-ion-beam inertial fusion at high coupling efficiency
Logan, B.G.; Perkins, L.J.; Barnard, J.J.
2008-05-16
Issues with coupling efficiency, beam illumination symmetry, and Rayleigh-Taylor instability are discussed for spherical heavy-ion-beam-driven targets with and without hohlraums. Efficient coupling of heavy-ion beams to compress direct-drive inertial fusion targets without hohlraums is found to require ion range increasing several-fold during the drive pulse. One-dimensional implosion calculations using the LASNEX inertial confinement fusion target physics code shows the ion range increasing fourfold during the drive pulse to keep ion energy deposition following closely behind the imploding ablation front, resulting in high coupling efficiencies (shell kinetic energy/incident beam energy of 16% to 18%). Ways to increase beam ion range while mitigating Rayleigh-Taylor instabilities are discussed for future work.
MULTISCALE THERMOHYDROLOGIC MODEL
T.A. Buscheck
2001-12-21
The purpose of the Multiscale Thermohydrologic Model (MSTHM) is to describe the thermohydrologic evolution of the near-field environment (NFE) and engineered barrier system (EBS) throughout the potential high-level nuclear waste repository at Yucca Mountain for a particular engineering design (CRWMS M&O 2000c). The process-level model will provide thermohydrologic (TH) information and data (such as in-drift temperature, relative humidity, liquid saturation, etc.) for use in other technical products. This data is provided throughout the entire repository area as a function of time. The MSTHM couples the Smeared-heat-source Drift-scale Thermal-conduction (SDT), Line-average-heat-source Drift-scale Thermohydrologic (LDTH), Discrete-heat-source Drift-scale Thermal-conduction (DDT), and Smeared-heat-source Mountain-scale Thermal-conduction (SMT) submodels such that the flow of water and water vapor through partially-saturated fractured rock is considered. The MSTHM accounts for 3-D drift-scale and mountain-scale heat flow, repository-scale variability of stratigraphy and infiltration flux, and waste package (WP)-to-WP variability in heat output from WPs. All submodels use the nonisothermal unsaturated-saturated flow and transport (NUFT) simulation code. The MSTHM is implemented in several data-processing steps. The four major steps are: (1) submodel input-file preparation, (2) execution of the four submodel families with the use of the NUFT code, (3) execution of the multiscale thermohydrologic abstraction code (MSTHAC), and (4) binning and post-processing (i.e., graphics preparation) of the output from MSTHAC. Section 6 describes the MSTHM in detail. The objectives of this Analyses and Model Report (AMR) are to investigate near field (NF) and EBS thermohydrologic environments throughout the repository area at various evolution periods, and to provide TH data that may be used in other process model reports.
MULTISCALE THERMOHYDROLOGIC MODEL
T.A. Buscheck
2001-12-21
The purpose of the Multiscale Thermohydrologic Model (MSTHM) is to describe the thermohydrologic evolution of the near-field environment (NFE) and engineered barrier system (EBS) throughout the potential high-level nuclear waste repository at Yucca Mountain for a particular engineering design (CRWMS M&O 2000c). The process-level model will provide thermohydrologic (TH) information and data (such as in-drift temperature, relative humidity, liquid saturation, etc.) for use in other technical products. This data is provided throughout the entire repository area as a function of time. The MSTHM couples the Smeared-heat-source Drift-scale Thermal-conduction (SDT), Line-average-heat-source Drift-scale Thermohydrologic (LDTH), Discrete-heat-source Drift-scale Thermal-conduction (DDT), and Smeared-heat-source Mountain-scale Thermal-conduction (SMT) submodels such that the flow of water and water vapor through partially-saturated fractured rock is considered. The MSTHM accounts for 3-D drift-scale and mountain-scale heat flow, repository-scale variability of stratigraphy and infiltration flux, and waste package (WP)-to-WP variability in heat output from WPs. All submodels use the nonisothermal unsaturated-saturated flow and transport (NUFT) simulation code. The MSTHM is implemented in several data-processing steps. The four major steps are: (1) submodel input-file preparation, (2) execution of the four submodel families with the use of the NUFT code, (3) execution of the multiscale thermohydrologic abstraction code (MSTHAC), and (4) binning and post-processing (i.e., graphics preparation) of the output from MSTHAC. Section 6 describes the MSTHM in detail. The objectives of this Analyses and Model Report (AMR) are to investigate near field (NF) and EBS thermohydrologic environments throughout the repository area at various evolution periods, and to provide TH data that may be used in other process model reports.
2007-01-01
We propose in this paper that a dual waveguide coupled by a finite barrier be able to serve as an energy filter under a perpendicular magnetic field. In the waveguide direction, the conductance exhibits a periodic square-wave pattern in which the miniband is controlled by the magnetic and potential modulation. The electrons with energies in the miniband can completely transfer along one waveguide while the other electrons undergo filtration. Compared with the coupled waveguide without magnetic modulation, the structure under magnetic field is found to be a good directional coupler. By adjusting the potential barrier and magnetic field, the electrons input from one port of waveguide can transfer to any other ports.
Differential geometry based multiscale models.
Wei, Guo-Wei
2010-08-01
Large chemical and biological systems such as fuel cells, ion channels, molecular motors, and viruses are of great importance to the scientific community and public health. Typically, these complex systems in conjunction with their aquatic environment pose a fabulous challenge to theoretical description, simulation, and prediction. In this work, we propose a differential geometry based multiscale paradigm to model complex macromolecular systems, and to put macroscopic and microscopic descriptions on an equal footing. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum mechanical description of the aquatic environment with the microscopic discrete atomistic description of the macromolecule. Multiscale free energy functionals, or multiscale action functionals are constructed as a unified framework to derive the governing equations for the dynamics of different scales and different descriptions. Two types of aqueous macromolecular complexes, ones that are near equilibrium and others that are far from equilibrium, are considered in our formulations. We show that generalized Navier-Stokes equations for the fluid dynamics, generalized Poisson equations or generalized Poisson-Boltzmann equations for electrostatic interactions, and Newton's equation for the molecular dynamics can be derived by the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows. Comparison is given to classical descriptions of the fluid and electrostatic interactions without geometric flow based micro-macro interfaces. The detailed balance of forces is emphasized in the present work. We further extend the proposed multiscale paradigm to micro-macro analysis of electrohydrodynamics, electrophoresis, fuel cells, and ion channels. We derive generalized Poisson-Nernst-Planck equations that are
Soliton Solutions of Coupled KdV System from Hirota's Bilinear Direct Method
ZHANG Chen-Jun; YANG Jian-Rong; ZHOU Jian-Hua; MAO Jie-Jian; YUE Rui-Hong
2008-01-01
With Hirota's bilinear direct method, we study the special coupled KdV system to obtain its new soliton solutions. Then we further discuss soliton evolution, corresponding structures, and interesting interactive phenomena in detail with plot. As a result, we find that after the interaction, the solitons make elastic collision and there are no exchanges of their physical quantities including energy, velocity and shape except the phase shift.
Transfer Entropy Estimation and Directional Coupling Change Detection in Biomedical Time Series
Lee Joon; Nemati Shamim; Silva Ikaro; Edwards Bradley A; Butler James P; Malhotra Atul
2012-01-01
Abstract Background The detection of change in magnitude of directional coupling between two non-linear time series is a common subject of interest in the biomedical domain, including studies involving the respiratory chemoreflex system. Although transfer entropy is a useful tool in this avenue, no study to date has investigated how different transfer entropy estimation methods perform in typical biomedical applications featuring small sample size and presence of outliers. Methods With respec...
Transfer Entropy Estimation and Directional Coupling Change Detection in Biomedical Time Series
Lee, Joon; Nemati, Shamim; Silva, Ikaro; Edwards, Bradley A.; Butler, James P.; Malhotra, Atul
2011-01-01
Background: The detection of change in magnitude of directional coupling between two non-linear time series is a common subject of interest in the biomedical domain, including studies involving the respiratory chemoreflex system. Although transfer entropy is a useful tool in this avenue, no study to date has investigated how different transfer entropy estimation methods perform in typical biomedical applications featuring small sample size and presence of outliers. Methods: ...
Feedback Direct Injection Current Readout For Infrared Charge-Coupled Devices
Kubo, Kazuya; Wakayama, Hiroyuki; Kajihara, Nobuyuki; Awamoto, Kenji; Miyamoto, Yoshihiro
1990-01-01
We are proposing current readout for infrared charge coupled devices (IRCCDs) which can operate at higher temperatures. Feedback direct injection (FDI) consists of a simple amplifier of gain, AFDI was used in a medium-wavelength IRCCD operating at a high temperature. We made a 64-element HgCdTe linear IRCCD using FDI. The device operates at 195 K with an NETD of 0.5 K.
2017-01-01
Serine hydrolases are susceptible to potent reversible inhibition by boronic acids. Large collections of chemically diverse boronic acid fragments are commercially available because of their utility in coupling chemistry. We repurposed the approximately 650 boronic acid reagents in our collection as a directed fragment library targeting serine hydrolases and related enzymes. Highly efficient hits (LE > 0.6) often result. The utility of the approach is illustrated with the results against autotaxin, a phospholipase implicated in cardiovascular disease. PMID:28564542
Nabat, Pierre; Somot, Samuel; Mallet, Marc; Sevault, Florence; Chiacchio, Marc; Wild, Martin
2015-02-01
A fully coupled regional climate system model (CNRM-RCSM4) has been used over the Mediterranean region to investigate the direct and semi-direct effects of aerosols, but also their role in the radiation-atmosphere-ocean interactions through multi-annual ensemble simulations (2003-2009) with and without aerosols and ocean-atmosphere coupling. Aerosols have been taken into account in CNRM-RCSM4 through realistic interannual monthly AOD climatologies. An evaluation of the model has been achieved, against various observations for meteorological parameters, and has shown the ability of CNRM-RCSM4 to reproduce the main patterns of the Mediterranean climate despite some biases in sea surface temperature (SST), radiation and cloud cover. The results concerning the aerosol radiative effects show a negative surface forcing on average because of the absorption and scattering of the incident radiation. The SW surface direct effect is on average -20.9 Wm-2 over the Mediterranean Sea, -14.7 Wm-2 over Europe and -19.7 Wm-2 over northern Africa. The LW surface direct effect is weaker as only dust aerosols contribute (+4.8 Wm-2 over northern Africa). This direct effect is partly counterbalanced by a positive semi-direct radiative effect over the Mediterranean Sea (+5.7 Wm-2 on average) and Europe (+5.0 Wm-2) due to changes in cloud cover and atmospheric circulation. The total aerosol effect is consequently negative at the surface and responsible for a decrease in land (on average -0.4 °C over Europe, and -0.5 °C over northern Africa) and sea surface temperature (on average -0.5 °C for the Mediterranean SST). In addition, the latent heat loss is shown to be weaker (-11.0 Wm-2) in the presence of aerosols, resulting in a decrease in specific humidity in the lower troposphere, and a reduction in cloud cover and precipitation. Simulations also indicate that dust aerosols warm the troposphere by absorbing solar radiation, and prevent radiation from reaching the surface, thus
2014-09-30
1 Multiscale Data Assimilation Dr. Pierre F.J. Lermusiaux Department of Mechanical Engineering, Center for Ocean Science and Engineering...concerned with next-generation multiscale data assimilation , with a focus on shelfbreak regions, including non-hydrostatic effects. Our long-term...goals are to: - Develop and utilize GMM-DO data assimilation schemes for rigorous multiscale inferences, where observations provide information on
Multiscale modeling and synaptic plasticity.
Bhalla, Upinder S
2014-01-01
Synaptic plasticity is a major convergence point for theory and computation, and the process of plasticity engages physiology, cell, and molecular biology. In its many manifestations, plasticity is at the hub of basic neuroscience questions about memory and development, as well as more medically themed questions of neural damage and recovery. As an important cellular locus of memory, synaptic plasticity has received a huge amount of experimental and theoretical attention. If computational models have tended to pick specific aspects of plasticity, such as STDP, and reduce them to an equation, some experimental studies are equally guilty of oversimplification each time they identify a new molecule and declare it to be the last word in plasticity and learning. Multiscale modeling begins with the acknowledgment that synaptic function spans many levels of signaling, and these are so tightly coupled that we risk losing essential features of plasticity if we focus exclusively on any one level. Despite the technical challenges and gaps in data for model specification, an increasing number of multiscale modeling studies have taken on key questions in plasticity. These have provided new insights, but importantly, they have opened new avenues for questioning. This review discusses a wide range of multiscale models in plasticity, including their technical landscape and their implications.
Sparse networks of directly coupled, polymorphic, and functional side chains in allosteric proteins.
Soltan Ghoraie, Laleh; Burkowski, Forbes; Zhu, Mu
2015-03-01
Recent studies have highlighted the role of coupled side-chain fluctuations alone in the allosteric behavior of proteins. Moreover, examination of X-ray crystallography data has recently revealed new information about the prevalence of alternate side-chain conformations (conformational polymorphism), and attempts have been made to uncover the hidden alternate conformations from X-ray data. Hence, new computational approaches are required that consider the polymorphic nature of the side chains, and incorporate the effects of this phenomenon in the study of information transmission and functional interactions of residues in a molecule. These studies can provide a more accurate understanding of the allosteric behavior. In this article, we first present a novel approach to generate an ensemble of conformations and an efficient computational method to extract direct couplings of side chains in allosteric proteins, and provide sparse network representations of the couplings. We take the side-chain conformational polymorphism into account, and show that by studying the intrinsic dynamics of an inactive structure, we are able to construct a network of functionally crucial residues. Second, we show that the proposed method is capable of providing a magnified view of the coupled and conformationally polymorphic residues. This model reveals couplings between the alternate conformations of a coupled residue pair. To the best of our knowledge, this is the first computational method for extracting networks of side chains' alternate conformations. Such networks help in providing a detailed image of side-chain dynamics in functionally important and conformationally polymorphic sites, such as binding and/or allosteric sites. © 2014 Wiley Periodicals, Inc.
A survey on stochastic multi-scale modeling in biomechanics: computational challenges
Favino, Marco; Pivkin, Igor
2016-01-01
During the last decade, multi-scale models in mechanics, bio-mechanics and life sciences have gained increasing attention. Using multi-scale approaches, effects on different time and length scales, such as, e.g., cellular and organ scale, can be coupled and their interaction can be studied. Clearly, this requires the development of new mathematical models and numerical methods for multi-scale problems, in order to provide reliable and efficient tools for the investigation of multi-scale effects. Here, we give an overview on existing numerical approaches for multi-scale simulations in bio-mechanics with particular emphasis on stochastic effects.
Some technological aspects of methane aromatization (direct and via oxidative coupling)
Skutil, Krzysztof; Taniewski, Marian [Silesian Technical University, Chair of Chemical Organic Technology and Petrochemistry, ul. Krzywoustego 4, 44-101 Gliwice (Poland)
2006-06-15
The investigations on transformation of methane to benzene and naphthalene have been carried out in aim to verify and supplement earlier reported data and on this basis to estimate real industrial perspectives of the CH{sub 4} aromatization concept, the main challenges and barriers. Methane aromatization (direct and via oxidative coupling) has been studied over Mo/HZSM-5 catalyst used both for direct methane dehydroaromatization and for aromatization of methane oxidative coupling (OCM) products. The effects of Mo content in the catalyst, temperature, space velocity, the presence of CO{sub 2}, CO, H{sub 2}O, C{sub 2}H{sub 4}, C{sub 2}H{sub 6} and their mixtures in the feed have been studied. The effectiveness of the catalyst regeneration in the air was also examined. All results were confronted with the literature data and analyzed from technological point of view. It was confirmed that direct CH{sub 4} aromatization process was characterized by a low CH{sub 4} single-pass conversion, low single-pass yields of the main products (benzene, hydrogen and naphthalene) and a low catalyst stability (rapid catalyst deactivation). Various possible technological schemes were analyzed. It was concluded that real industrial chances of direct methane aromatization or aromatization via OCM would depend largely on the advancement in the cost-effective separation techniques. The methane aromatization concept was also confronted with other methane conversion processes. (author)
Transitions of the Multi-Scale Singularity Trees
Somchaipeng, Kerawit; Sporring, Jon; Kreiborg, Sven
2005-01-01
Multi-Scale Singularity Trees(MSSTs) [10] are multi-scale image descriptors aimed at representing the deep structures of images. Changes in images are directly translated to changes in the deep structures; therefore transitions in MSSTs. Because MSSTs can be used to represent the deep structure o...
Transitions of the Multi-Scale Singularity Trees
Somchaipeng, Kerawit; Sporring, Jon; Kreiborg, Sven
2005-01-01
Multi-Scale Singularity Trees(MSSTs) [10] are multi-scale image descriptors aimed at representing the deep structures of images. Changes in images are directly translated to changes in the deep structures; therefore transitions in MSSTs. Because MSSTs can be used to represent the deep structure...
A computational library for multiscale modeling of material failure
Talebi, Hossein; Silani, Mohammad; Bordas, Stéphane P. A.; Kerfriden, Pierre; Rabczuk, Timon
2014-05-01
We present an open-source software framework called PERMIX for multiscale modeling and simulation of fracture in solids. The framework is an object oriented open-source effort written primarily in Fortran 2003 standard with Fortran/C++ interfaces to a number of other libraries such as LAMMPS, ABAQUS, LS-DYNA and GMSH. Fracture on the continuum level is modeled by the extended finite element method (XFEM). Using several novel or state of the art methods, the piece software handles semi-concurrent multiscale methods as well as concurrent multiscale methods for fracture, coupling two continuum domains or atomistic domains to continuum domains, respectively. The efficiency of our open-source software is shown through several simulations including a 3D crack modeling in clay nanocomposites, a semi-concurrent FE-FE coupling, a 3D Arlequin multiscale example and an MD-XFEM coupling for dynamic crack propagation.
Carbon nanotube integrated multifunctional multiscale composites
Qiu Jingjing; Zhang, Chuck; Wang, Ben; Liang, Richard [High-Performance Materials Institute, Department of Industrial and Manufacturing Engineering, Florida A and M University-Florida State University College of Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States)
2007-07-11
Carbon nanotubes (CNTs) demonstrate extraordinary properties and show great promise in enhancing out-of-plane properties of traditional polymer composites and enabling functionality, but current manufacturing challenges hinder the realization of their potential. This paper presents a method to fabricate multifunctional multiscale composites through an effective infiltration-based vacuum-assisted resin transfer moulding (VARTM) process. Multi-walled carbon nanotubes (MWNTs) were infused through and between glass-fibre tows along the through-thickness direction. Both pristine and functionalized MWNTs were used in fabricating multiscale glass-fibre-reinforced epoxy composites. It was demonstrated that the mechanical properties of multiscale composites were remarkably enhanced, especially in the functionalized MWNT multiscale composites. With only 1 wt% loading of functionalized MWNTs, tensile strength was increased by 14% and Young's modulus by 20%, in comparison with conventional fibre-reinforced composites. Moreover, the shear strength and short-beam modulus were increased by 5% and 8%, respectively, indicating the improved inter-laminar properties. The strain-stress tests also suggested noticeable enhancement in toughness. Scanning electron microscopy (SEM) characterization confirmed an enhanced interfacial bonding when functionalized MWNTs were integrated into epoxy/glass-fibre composites. The coefficient thermal expansion (CTE) of functionalized nanocomposites indicated a reduction of 25.2% compared with epoxy/glass-fibre composites. The desired improvement of electrical conductivities was also achieved. The multiscale composites indicated a way to leverage the benefits of CNTs and opened up new opportunities for high-performance multifunctional multiscale composites.
Carbon nanotube integrated multifunctional multiscale composites
Qiu, Jingjing; Zhang, Chuck; Wang, Ben; Liang, Richard
2007-07-01
Carbon nanotubes (CNTs) demonstrate extraordinary properties and show great promise in enhancing out-of-plane properties of traditional polymer composites and enabling functionality, but current manufacturing challenges hinder the realization of their potential. This paper presents a method to fabricate multifunctional multiscale composites through an effective infiltration-based vacuum-assisted resin transfer moulding (VARTM) process. Multi-walled carbon nanotubes (MWNTs) were infused through and between glass-fibre tows along the through-thickness direction. Both pristine and functionalized MWNTs were used in fabricating multiscale glass-fibre-reinforced epoxy composites. It was demonstrated that the mechanical properties of multiscale composites were remarkably enhanced, especially in the functionalized MWNT multiscale composites. With only 1 wt% loading of functionalized MWNTs, tensile strength was increased by 14% and Young's modulus by 20%, in comparison with conventional fibre-reinforced composites. Moreover, the shear strength and short-beam modulus were increased by 5% and 8%, respectively, indicating the improved inter-laminar properties. The strain-stress tests also suggested noticeable enhancement in toughness. Scanning electron microscopy (SEM) characterization confirmed an enhanced interfacial bonding when functionalized MWNTs were integrated into epoxy/glass-fibre composites. The coefficient thermal expansion (CTE) of functionalized nanocomposites indicated a reduction of 25.2% compared with epoxy/glass-fibre composites. The desired improvement of electrical conductivities was also achieved. The multiscale composites indicated a way to leverage the benefits of CNTs and opened up new opportunities for high-performance multifunctional multiscale composites.
An Overview of A Perturbation Analysis for Uni-directionally Coupled Vibratory Gyroscopes
Vu, Huy; Palacios, Antonio; In, Visarath; Longhini, Patrick; Neff, Joseph
2011-04-01
The complex behaviours of gyroscope systems have been scientifically researched and thoroughly studied for decades. Most of scientific research involving gyroscopes specifically concentrates on studying the designs and fabrications at the circuitry level. Although gaining a recent popularity with the low cost of MEMS device that offers an attractive approach for gyroscope fabrications, its performance is far from meeting the requirements for an inertial grade guidance system. To improve the performance, our current research is theoretically focusing upon investigating the dynamics of vibratory gyroscopes coupled in a ring configuration. Particularly, a certain topology of arrangements among coupled gyroscopes can be designed and studied to enhance robustness. The main operation depends mostly on an external source for a stable oscillation in the drive axis, while an oscillatory motion in the sense axis, which is used to detect an angular rate of rotation, is enabled through the transfers of energy from the drive via the Coriolis force. With the mathematical model depicted as Duffing oscillators, however, by adding a certain coupling among gyroscopes, a similar behavior to a Duffing oscillator is expected, only with more complicated dynamics at a higher dimension. A number of Perturbation methods have popularly been carried out, to seek for a general asymptotic solution of typical Duffing oscillators. In this work as an overview, the two-time scale Perturbation expansion is asymptotically applied on the uni-directionally coupled vibratory gyroscopes to find an analytical solution which is then compared to the numerical one.
Direct Coupling of SiPMs to Scintillator Tiles for Imaging Calorimetry and Triggering
Simon, Frank; Joram, Christian
2010-01-01
The recent availability of blue sensitive silicon photomultipliers allows the direct readout of blue emitting plastic scintillator tiles without the use of a wavelength shifting fiber. Such directly read out tiles, without light guides, are attractive for the use in highly granular calorimeters that use large numbers of individual cells and in other applications where very compact designs are needed. However, the total signal amplitude and the uniformity of the response can be problematic in such cases. We have developed a scanning setup to investigate the response of scintillator tiles with SiPM readout in detail. It was used to develop optimized scintillator tile geometries for highly granular hadronic calorimetry at future colliders and to investigate the feasibility of a SiPM readout for the trigger of the ATLAS ALFA luminosity detectors. We report on results obtained with specialized scintillator tile geometries, discuss first results obtained with directly coupled SiPM readout of the ATLAS ALFA trigger ...
Lim, Sung Hun [Dept. of Electrical Engineering, Soongsil University, Seoul (Korea, Republic of); Han, Tae Hee [Dept. of Aero Materials Engineering, Jungwon University, Goesan (Korea, Republic of)
2017-06-15
In this paper, the current limiting characteristics of the transformer type superconducting fault current limiter (SFCL) with the two coupled secondary windings due to its winding direction were analyzed. To analyze the dependence of transient fault current limiting characteristics on the winding direction of the additional secondary winding, the fault current limiting tests of the SFCL with an additional secondary winding, wound as subtractive polarity winding and additive polarity winding, were carried out. The time interval of quench occurrence between two superconducting elements comprising the transformer type SFCL with the additional secondary winding was confirmed to be affected by the winding direction of the additional secondary winding. In case of the subtractive polarity winding of the additional secondary winding, the time interval of the quench occurrence in two superconducting elements was shorter than the case of the additive polarity winding.
Coupled-Channel Models of Direct-Semidirect Capture via Giant-Dipole Resonances
Thompson, I J [Lawrence Livermore National Laboratory (LLNL); Escher, Jutta E [ORNL; Arbanas, Goran [ORNL
2013-01-01
Semidirect capture, a two-step process that excites a giant-dipole resonance followed by its radiative de-excitation, is a dominant process near giant-dipole resonances, that is, for incoming neutron energies within 5 20 MeV. At lower energies such processes may affect neutron capture rates that are relevant to astrophysical nucleosynthesis models. We implement a semidirect capture model in the coupled-channel reaction code Fresco and validate it by comparing the cross section for direct-semidirect capture 208Pb(n,g)209Pb to experimental data. We also investigate the effect of low-energy electric dipole strength in the pygmy resonance. We use a conventional single-particle direct-semidirect capture code Cupido for comparison. Furthermore, we present and discuss our results for direct-semidirect capture reaction 130Sn(n,g)131Sn, the cross section of which is known to have a significant effect on nucleosynthesis models.
Commande directe du couple d'une machine asynchrone par le contrôle direct de son flux statorique
Chapuis, Y. A.; Roye, D.; Courtine, S.
1995-06-01
The authors of this paper present a vector control scheme of an induction motor, in order to reduce parameter sensibility problems expected in most rotor flux oriented. Direct torque control principles have been introduced, moreover a simulation module and an experimental device have been proposed to estimate the possibilities of the proposal. Futhermore, they describe the methods they use to obtain good performances, even in the low speed range, where the stator resistance influence becomes critical. Les auteurs de cet article présentent une structure de contrôle vectorielle de la machine asynchrone, proposant une alternative à la commande à flux rotorique orientée en réduisant l'influence des paramètres propres à cette méthode. Les principes du contrôle direct du couple sont introduit, de plus un module de simulation et un dispositif expérimental sont proposés, permettant d'évaluer les possibilités de la structure. Finalement, les auteurs illustrent le bon fonctionnement du système, par une étude du comportement aux basses vitesses, où l'influence de la résistance statorique peut être critique.
Multicomponent and multiscale systems theory, methods, and applications in engineering
Geiser, Juergen
2016-01-01
This book examines the latest research results from combined multi-component and multi-scale explorations. It provides theory, considers underlying numerical methods, and presents brilliant computational experimentation. Engineering computations featured in this monograph further offer particular interest to many researchers, engineers, and computational scientists working in frontier modeling and applications of multicomponent and multiscale problems. Professor Geiser gives specific attention to the aspects of decomposing and splitting delicate structures and controlling decomposition and the rationale behind many important applications of multi-component and multi-scale analysis. Multicomponent and Multiscale Systems: Theory, Methods, and Applications in Engineering also considers the question of why iterative methods can be powerful and more appropriate for well-balanced multiscale and multicomponent coupled nonlinear problems. The book is ideal for engineers and scientists working in theoretical and a...
Direct coupling: a possible strategy to control fruit production in alternate bearing
Prasad, Awadhesh; Sakai, Kenshi; Hoshino, Yoshinobu
2017-01-01
We investigated the theoretical possibility of applying phenomenon of synchronization of coupled nonlinear oscillators to control alternate bearing in citrus. The alternate bearing of fruit crops is a phenomenon in which a year of heavy yield is followed by an extremely light one. This phenomenon has been modeled previously by the resource budget model, which describes a typical nonlinear oscillator of the tent map type. We have demonstrated how direct coupling, which could be practically realized through grafting, contributes to the nonlinear dynamics of alternate bearing, especially phase synchronization. Our results show enhancement of out-of-phase synchronization in production, which depends on initial conditions obtained under the given system parameters. Based on these numerical experiments, we propose a new method to control alternate bearing, say in citrus, thereby enabling stable fruit production. The feasibility of validating the current results through field experimentation is also discussed.
Experimental analysis of direct-expansion ground-coupled heat pump systems
Mei, V. C.; Baxter, V. D.
1991-09-01
Direct-expansion ground-coil-coupled (DXGC) heat pump systems have certain energy efficiency advantages over conventional ground-coupled heat pump (GCHP) systems. Principal among these advantages are that the secondary heat transfer fluid heat exchanger and circulating pump are eliminated. While the DXGC concept can produce higher efficiencies, it also produces more system design and environmental problems (e.g., compressor starting, oil return, possible ground pollution, and more refrigerant charging). Furthermore, general design guidelines for DXGC systems are not well documented. A two-pronged approach was adopted for this study: (1) a literature survey, and (2) a laboratory study of a DXGC heat pump system with R-22 as the refrigerant, for both heating and cooling mode tests done in parallel and series tube connections. The results of each task are described in this paper. A set of general design guidelines was derived from the test results and is also presented.
2D Direction of Arrival Estimation for Cross Array in the Presence of Mutual Coupling
Weiwei Hu
2014-01-01
Full Text Available This paper proposes a new method for cross array to estimate two-dimensional direction of arrival (2-D DOA in the presence of mutual coupling. In this method, the array elements which are affected by the same mutual coupling are chosen on x-axis and z-axis, respectively. Then a new matrix is constructed with the proper entries of cross covariance matrix of the chosen elements outputs on x-axis and z-axis. Propagation method (PM and rotational invariance techniques for uniform linear array (ULA are utilized in the constructed matrix to obtain two parameters correlated with elevations and azimuths. While calculating and pairing the two parameters, only once eigendecomposing and several division operations are required with the relationship among the matrix, its eigenvalues, and corresponding eigenvectors. Simulations are presented to validate the performance of the proposed method.
Improvement of directionality and sound-localization by internal ear coupling in barn owls
Wagner, Hermann; Christensen-Dalsgaard, Jakob; Kettler, Lutz
. However, despite intensive research during the last 40 years it is still unclear whether and how internal ear coupling contributes to sound localization in the barn owl. Here we investigated ear directionality in anesthetized birds with the help of laser vibrometry. Care was taken that anesthesia......Mark Konishi was one of the first to quantify sound-localization capabilities in barn owls. He showed that frequencies between 3 and 10 kHz underlie precise sound localization in these birds, and that they derive spatial information from processing interaural time and interaural level differences...... and the stapedius reflex did not influence the results. When analyzed in narrow frequency bands, the data demonstrated a certain amount of internal ear coupling in the low-frequnecy range (
Direct coupling: a possible strategy to control fruit production in alternate bearing
Prasad, Awadhesh; Sakai, Kenshi; Hoshino, Yoshinobu
2017-01-01
We investigated the theoretical possibility of applying phenomenon of synchronization of coupled nonlinear oscillators to control alternate bearing in citrus. The alternate bearing of fruit crops is a phenomenon in which a year of heavy yield is followed by an extremely light one. This phenomenon has been modeled previously by the resource budget model, which describes a typical nonlinear oscillator of the tent map type. We have demonstrated how direct coupling, which could be practically realized through grafting, contributes to the nonlinear dynamics of alternate bearing, especially phase synchronization. Our results show enhancement of out-of-phase synchronization in production, which depends on initial conditions obtained under the given system parameters. Based on these numerical experiments, we propose a new method to control alternate bearing, say in citrus, thereby enabling stable fruit production. The feasibility of validating the current results through field experimentation is also discussed. PMID:28051141
Ibáñez, Agustín; Cardona, Juan F; Dos Santos, Yamil Vidal; Blenkmann, Alejandro; Aravena, Pía; Roca, María; Hurtado, Esteban; Nerguizian, Mirna; Amoruso, Lucía; Gómez-Arévalo, Gonzalo; Chade, Anabel; Dubrovsky, Alberto; Gershanik, Oscar; Kochen, Silvia; Glenberg, Arthur; Manes, Facundo; Bekinschtein, Tristán
2013-04-01
Language and action systems are functionally coupled in the brain as demonstrated by converging evidence using Functional magnetic resonance imaging (fMRI), electroencephalography (EEG), transcranial magnetic stimulation (TMS), and lesion studies. In particular, this coupling has been demonstrated using the action-sentence compatibility effect (ACE) in which motor activity and language interact. The ACE task requires participants to listen to sentences that described actions typically performed with an open hand (e.g., clapping), a closed hand (e.g., hammering), or without any hand action (neutral); and to press a large button with either an open hand position or closed hand position immediately upon comprehending each sentence. The ACE is defined as a longer reaction time (RT) in the action-sentence incompatible conditions than in the compatible conditions. Here we investigated direct motor-language coupling in two novel and uniquely informative ways. First, we measured the behavioural ACE in patients with motor impairment (early Parkinson's disease - EPD), and second, in epileptic patients with direct electrocorticography (ECoG) recordings. In experiment 1, EPD participants with preserved general cognitive repertoire, showed a much diminished ACE relative to non-EPD volunteers. Moreover, a correlation between ACE performance and action-verb processing (kissing and dancing test - KDT) was observed. Direct cortical recordings (ECoG) in motor and language areas (experiment 2) demonstrated simultaneous bidirectional effects: motor preparation affected language processing (N400 at left inferior frontal gyrus and middle/superior temporal gyrus), and language processing affected activity in movement-related areas (motor potential at premotor and M1). Our findings show that the ACE paradigm requires ongoing integration of preserved motor and language coupling (abolished in EPD) and engages motor-temporal cortices in a bidirectional way. In addition, both experiments
C. Andersson
2014-05-01
Full Text Available We have implemented the sectional aerosol dynamics model SALSA in the European scale chemistry-transport model MATCH (Multi-scale Atmospheric Transport and Chemistry. The new model is called MATCH–SALSA. It includes aerosol microphysics, with several formulations for nucleation, wet scavenging and condensation. The model reproduces observed higher particle number concentration (PNC in central Europe and lower concentrations in remote regions. The model PNC size distribution peak occurs at the same or smaller particle size as the observed peak at five measurement sites spread across Europe. Total PNC is underestimated at Northern and Central European sites and accumulation mode PNC is underestimated at all investigated sites. On the other hand the model performs well for particle mass, including secondary inorganic aerosol components. Elemental and organic carbon concentrations are underestimated at many of the sites. Further development is needed, primarily for treatment of secondary organic aerosol, both in terms of biogenic emissions and chemical transformation, and for nitrogen gas-particle partitioning. Updating the biogenic SOA scheme will likely have a large impact on modeled PM2.5 and also affect the model performance for PNC through impacts on nucleation and condensation. An improved nitrogen partitioning model may also improve the description of condensational growth.
Determination of quark electroweak couplings from direct photon production in hadronic Z decays
Adriani, O.; Aguilar-Benitez, M.; Ahlen, S.; Alcaraz, J.; Aloisio, A.; Alverson, G.; Alviggi, M. G.; Ambrosi, G.; An, Q.; Anderhub, H.; Anderson, A. L.; Andreev, V. P.; Angelov, T.; Antonov, L.; Antreasyan, D.; Arce, P.; Arefiev, A.; Atamanchuk, A.; Azemoon, T.; Aziz, T.; Baba, P. V. K. S.; Bagnaia, P.; Bakken, J. A.; Baksay, L.; Ball, R. C.; Banerjee, S.; Bao, J.; Barillère, R.; Barone, L.; Baschirotto, A.; Battiston, R.; Bay, A.; Becattini, F.; Becker, U.; Behner, F.; Behrens, J.; Beingessner, S.; Bencze, Gy. L.; Berdugo, J.; Berges, P.; Bertucci, B.; Betev, B. L.; Biasini, M.; Biland, A.; Bilei, G. M.; Bizzarri, R.; Blaising, J. J.; Bobbink, G. J.; Boccioloni, M.; Bock, R.; Böhm, A.; Borgia, B.; Bosetti, M.; Bourilkov, D.; Bourquin, M.; Boutigny, D.; Bouwens, B.; Brambilla, E.; Branson, J. G.; Brock, I. C.; Brooks, M.; Buisson, C.; Bujak, A.; Burger, J. D.; Burger, W. J.; Busenitz, J.; Cai, X. D.; Capell, M.; Caria, M.; Carlino, G.; Carminati, F.; Cartacci, A. M.; Castello, R.; Cerrada, M.; Cesaroni, F.; Chang, Y. H.; Chaturvedi, U. K.; Chemarin, M.; Chen, A.; Chen, C.; Chen, G. M.; Chen, H. F.; Chen, H. S.; Chen, J.; Chen, M.; Chen, M. L.; Chen, W. Y.; Chiefari, G.; Chien, C. Y.; Chmeissani, M.; Choi, M. T.; Chung, S.; Civinini, C.; Clare, I.; Clare, R.; Coan, T. E.; Cohn, H. O.; Coignet, G.; Colino, N.; Contin, A.; Crijns, F.; Cui, X. T.; Cui, X. Y.; Dai, T. S.; D'Alessandro, R.; de Asmundis, R.; Degré, A.; Deiters, K.; Dénes, E.; Denes, P.; DeNotaristefani, F.; Dhina, M.; DiBitonto, D.; Diemoz, M.; Dimitrov, H. R.; Dionisi, C.; Dova, M. T.; Drago, E.; Driever, T.; Duchesneau, D.; Duinker, P.; Duran, I.; Easo, S.; El Mamouni, H.; Engler, A.; Eppling, F. J.; Erné, F. C.; Extermann, P.; Fabbretti, R.; Fabre, M.; Falciano, S.; Fan, S. J.; Fackler, O.; Fay, J.; Felcini, M.; Ferguson, T.; Fernandez, D.; Fernandez, G.; Ferroni, F.; Fesefeldt, H.; Fiandrini, E.; Field, J.; Filthaut, F.; Finocchiaro, G.; Fisher, P. H.; Forconi, G.; Foreman, T.; Freudenreich, K.; Friebel, W.; Fukushima, M.; Gailloud, M.; Galaktionov, Yu.; Gallo, E.; Ganguli, S. N.; Garcia-Abia, P.; Gau, S. S.; Gele, D.; Gentile, S.; Goldfarb, S.; Gong, Z. F.; Gonzalez, E.; Göttlicher, P.; Gougas, A.; Goujon, D.; Gratta, G.; Grinnell, C.; Gruenewald, M.; Gu, C.; Guanziroli, M.; Guo, J. K.; Gupta, V. K.; Gurtu, A.; Gustafson, H. R.; Gutay, L. J.; Hangarter, K.; Hasan, A.; Hauschildt, D.; He, C. F.; Hebbeker, T.; Hebert, M.; Herten, U.; Hervé, A.; Hilgers, K.; Hofer, H.; Hoorani, H.; Hu, G.; Hu, G. Q.; Ille, B.; Ilyas, M. M.; Innocente, V.; Janssen, H.; Jezequel, S.; Jin, B. N.; Jones, L. W.; Kasser, A.; Khan, R. A.; Kamyshkov, Yu.; Kapinos, P.; Kapustinsky, J. S.; Karyotakis, Y.; Kaur, M.; Khokhar, S.; Kienzle-Focacci, M. N.; Kim, J. K.; Kim, S. C.; Kim, Y. G.; Kinnison, W. W.; Kirkby, D.; Kirsch, S.; Kittel, W.; Klimentov, A.; König, A. C.; Koffeman, E.; Kornadt, O.; Koutsenko, V.; Koulbardis, A.; Kraemer, R. W.; Kramer, T.; Krastev, V. R.; Krenz, W.; Krivshich, A.; Kuijten, H.; Kumar, K. S.; Kunin, A.; Landi, G.; Lanske, D.; Lanzano, S.; Lebrun, P.; Lecomte, P.; Lecoq, P.; Le Coultre, P.; Lee, D. M.; Leedom, I.; Le Goff, J. M.; Leiste, R.; Lenti, M.; Leonardi, E.; Lettry, J.; Leytens, X.; Li, C.; Li, H. T.; Li, P. J.; Li, X. G.; Liao, J. Y.; Lin, W. T.; Lin, Z. Y.; Linde, F. L.; Lindemann, B.; Linnhofer, D.; Lista, L.; Liu, Y.; Lohmann, W.; Longo, E.; Lu, Y. S.; Lubbers, J. M.; Lübelsmeyer, K.; Luci, C.; Luckey, D.; Ludovici, L.; Luminari, L.; Lustermann, W.; Ma, J. M.; Ma, W. G.; MacDermott, M.; Malhotra, P. K.; Malik, R.; Malinin, A.; Maña, C.; Mao, D. N.; Mao, Y. F.; Maolinbay, M.; Marchesini, P.; Marion, F.; Marin, A.; Martin, J. P.; Martinez-Laso, L.; Marzano, F.; Massaro, G. G. G.; Matsuda, T.; Mazumdar, K.; McBride, P.; McMahon, T.; McNally, D.; Merk, M.; Merola, L.; Meschini, M.; Metzger, W. J.; Mi, Y.; Mills, G. B.; Mir, Y.; Mirabelli, G.; Mnich, J.; Möller, M.; Monteleoni, B.; Morand, R.; Morganti, S.; Moulai, N. E.; Mount, R.; Müller, S.; Nadtochy, A.; Nagy, E.; Napolitano, M.; Nessi-Tedaldi, F.; Newman, H.; Neyer, C.; Niaz, M. A.; Nippe, A.; Nowak, H.; Organtini, G.; Pandoulas, D.; Paoletti, S.; Paolucci, P.; Passaleva, G.; Patricelli, S.; Paul, T.; Pauluzzi, M.; Pauss, F.; Pei, Y. J.; Pensotti, S.; Perret-Gallix, D.; Perrier, J.; Pevsner, A.; Piccolo, D.; Pieri, M.; Piroué, P. A.; Plasil, F.; Plyaskin, V.; Pohl, M.; Pojidaev, V.; Produit, N.; Qian, J. M.; Qureshi, K. N.; Raghavan, R.; Rahal-Callot, G.; Rancoita, P. G.; Rattaggi, M.; Raven, G.; Razis, P.; Read, K.; Ren, D.; Ren, Z.; Rescigno, M.; Reucroft, S.; Ricker, A.; Riemann, S.; Riemers, B. C.; Riles, K.; Rind, O.; Rizvi, H. A.; Rodriguez, F. J.; Roe, B. P.; Röhner, M.; Röhner, S.; Romero, L.; Rose, J.; Rosier-Lees, S.; Rosmalen, R.; Rosselet, Ph.; Rubbia, A.; Rubio, J. A.; Rykaczewski, H.; Sachwitz, M.; Salicio, J.; Salicio, J. M.; Sanders, G. S.; Santocchia, A.; Sarakinos, M. S.; Sartorelli, G.; Sassowsky, M.; Sauvage, G.; Schegelsky, V.; Schmitz, D.; Schmitz, P.; Schneegans, M.; Scholz, N.; Schopper, H.; Schotanus, D. J.; Schreiber, H. J.; Schulte, R.; Schulte, S.; Schultze, K.; Schwenke, J.; Schwering, G.; Sciacca, C.; Scott, I.; Sehgal, R.; Seiler, P. G.; Sens, J. C.; Servoli, L.; Sheer, I.; Shen, D. Z.; Shevchenko, S.; Shi, X. R.; Shotkin, S.; Shukla, J.; Shumilov, E.; Shoutko, V.; Soderstrom, E.; Son, D.; Sopczak, A.; Spartiotis, C.; Spickermann, T.; Spillantini, P.; Starosta, R.; Steuer, M.; Stickland, D. P.; Sticozzi, F.; Stone, H.; Strauch, K.; Stringfellow, B. C.; Sudhakar, K.; Sultanov, G.; Sumner, R. L.; Sun, L. Z.; Suter, H.; Sutton, R. B.; Swain, J. D.; Syed, A. A.; Tang, X. W.; Taylor, L.; Terzi, G.; Timmermans, C.; Ting, Samuel C. C.; Ting, S. M.; Tonutti, M.; Tonwar, S. C.; Tóth, J.; Tsaregorodtsev, A.; Tsipolitis, G.; Tully, C.; Tung, K. L.; Ulbricht, J.; Urbán, L.; Uwer, U.; Valente, E.; Van de Walle, R. T.; Vetlitsky, I.; Viertel, G.; Vikas, P.; Vikas, U.; Vivargent, M.; Vogel, H.; Vogt, H.; Vorobiev, I.; Vorobyov, A. A.; Vuilleumier, L.; Wadhwa, M.; Wallraff, W.; Wang, C. R.; Wang, G. H.; Wang, J. H.; Wang, X. L.; Wang, Y. F.; Wang, Z. M.; Weber, A.; Weber, J.; Weill, R.; Wenaus, T. J.; Wenninger, J.; White, M.; Willmott, C.; Wittgenstein, F.; Wright, D.; Wu, R. J.; Wu, S. X.; Wu, Y. G.; Wysłouch, B.; Xie, Y. Y.; Xu, Y. D.; Xu, Z. Z.; Xue, Z. L.; Yan, D. S.; Yan, X. J.; Yang, B. Z.; Yang, C. G.; Yang, G.; Yang, K. S.; Yang, Q. Y.; Yang, Z. Q.; Ye, C. H.; Ye, J. B.; Ye, Q.; Yeh, S. C.; Yin, Z. W.; You, J. M.; Yunus, N.; Yzerman, M.; Zaccardelli, C.; Zemp, P.; Zeng, M.; Zeng, Y.; Zhang, D. H.; Zhang, Z. P.; Zhou, B.; Zhou, J. F.; Zhu, R. Y.; Zhuang, H. L.; Zichichi, A.; van der Zwaan, B. C. C.; L3 Collaboration
1993-02-01
We report on a comparison of isolated hard photon production in hadronic Z decays with the predictions of a next-to-leading order matrix-element calculation. We constrain the quark electroweak couplings to the Z boson with a simultaneous fit to three direct photon distributions, and combine this result with an independent constraint from our measurement of the total hadronic width of the Z, obtaining cu = 0.92 ± 0.22 and cd = 1.63 ± 0.15 where c u,d = 4( overlinegV2 + overlinegA2) u,d. Our results are consistent with standard model predictions.
Arimoto, Yoshinori
2011-03-01
This paper discusses the operational condition for direct single-mode-fiber-coupling FSO terminals under the various adverse weather conditions, such as strong atmospheric turbulences and rain falls. A good correlation between the scintillation index of the intensities of beacon receiving power and the signal fading depth has been observed, which allows us to predict the signal link quality based on the beacon scintillation index provided by the classical scintillation theory and concludes that the scintillation index for the beacon beam should be less than 0.1. This paper also reports the effect of performance enhancements provided by the new adaptive controller for the stable and robust terminal operation.
Very high coupling of TM polarised light in photonic crystal directional couplers
Borel, Peter Ingo; Thorhauge, Morten; Frandsen, Lars Hagedorn;
2003-01-01
noteworthy is the transmission level, experimentally found to be above -3 dB in the wavelength range 1520-1690 nm, for TM polarised light in the coupled channel. It is noted that even though band calculations show that the propagation of the TM polarisation takes place below the TM valence band, very high......The experimental and simulated spectra for TE and TM polarised light for the transmission through photonic crystal directional couplers are presented. The 3D FDTD simulations successfully explain all the major features of the experimental spectra as well as the actual transmission level. Especially...
Direct measurement of the W-γ coupling at the CERN overlinepp Collider
Alitti, J.; Ambrosini, G.; Ansari, R.; Autiero, D.; Bareyre, P.; Bertram, I. A.; Blaylock, G.; Bonamy, P.; Borer, K.; Bourliand, M.; Buskulic, D.; Carboni, G.; Cavalli, D.; Cavasinni, V.; Cenci, P.; Chollet, J. C.; Conta, C.; Costa, G.; Costantini, F.; Cozzi, L.; Cravero, A.; Curatolo, M.; Dell'Acqua, A.; DelPrete, T.; DeWolf, R. S.; DiLella, L.; Ducros, Y.; Egan, G. F.; Einsweiler, K. F.; Esposito, B.; Fayard, L.; Federspiel, A.; Ferrari, R.; Fraternali, M.; Froidevaux, D.; Fumagalli, G.; Gaillard, J. M.; Gianotti, F.; Gildemeister, O.; Gössling, C.; Goggi, V. G.; Grünendahl, S.; Hara, K.; Hellman, S.; Hrivnac, J.; Hufnagel, H.; Hugentobler, E.; Hultqvist, K.; Iacopini, E.; Incandela, J.; Jakobs, K.; Jenni, P.; Kluge, E. E.; Kurz, N.; Lami, S.; Lariccia, P.; Lefebvre, M.; Linssen, L.; Livan, M.; Lubrano, P.; Magneville, C.; Mandelli, L.; Mapelli, L.; Mazzanti, M.; Meier, K.; Merkel, B.; Meyer, J. P.; Moniez, M.; Moning, R.; Morganti, M.; Müller, L.; Munday, D. J.; Nessi, M.; Nessi-Tedaldi, F.; Onions, C.; Pal, T.; Parker, M. A.; Parrour, G.; Pastore, F.; Pennacchio, E.; Pentney, J. M.; Pepe, M.; Perini, L.; Petridou, C.; Petroff, P.; Plothow-Besch, H.; Polesello, G.; Poppleton, A.; Pretzl, K.; Primavera, M.; Punturo, M.; Repellin, J. P.; Rimoldi, A.; Sacchi, M.; Scampoli, P.; Schacher, J.; Schmidt, B.; Simak, V.; Singh, S. L.; Sondermann, V.; Spiwoks, R.; Stapnes, S.; Talamonti, C.; Tondini, F.; Tovey, S. N.; Tsesmelis, E.; Unal, G.; Valdata-Nappi, M.; Vercesi, V.; Weidberg, A. R.; Wells, P. S.; White, T. O.; Wood, D. R.; Wotton, S. A.; Zaccone, H.; Zylberstejn, A.
1992-02-01
The process overlinepp→ evγ+ X is studied as √ s=630 GeV. The observed signal is used to extract a direct measurement of the parameters κ and λ which define the magnetic dipole and electric quadrupole moments of the W boson and therefore the WWγ coupling. We find κ=1 +2.6-2.2 and λ=0 +1.7-1.8 and their 95% confidence limits -3.5< κ<5.9 and -3.6< λ<3.5. The results are model indepedent and in good agreement with the standard model values, κ=1 and λ=0.
Proposal for Direct Measurement of the Wigner Function of a Cavity Field via Raman Coupling
ZHENG Shi-Biao; ZHU Xi-Wen
2000-01-01
We propose a scheme for the reconstruction ofa cavity field state. In the scheme the cavity field is first displaced by a microwave source, and then couples with a three-level A-type atom in a Raman manner. After an appropriate interaction time the measurement of the difference between the probabilities of the atom being in two ground states directly yields the Wigner function for the field state. The scheme can be easily generalized to measure the Wigner function of an entangled state of two spatially separated single-mode cavities.
张涛; 李雅堂; 阎睿; 郑晨光; 杨卓
2009-01-01
Multiscale entropy reflects the complexity of single sequence on multiscale. In this paper, we proposed a method based on the concenpt of multiscale cross entropy (MSCE) to detect nonlinear coupling behavior between two sequences on multiscale. First, MSCE was applied in the analysis of of Henon-Henon map which was a chaotic dynamical system. Secondly, the MSCE was used to measure the coupling complexity between renal sympathetic nerve activity (RSNA) and blood pressure (BP) in conscious and anesthetized Wistar rats, respectively. Experimental results demonstrated that MSCE was a simple parameter for quantification of fractal dynamical characteristics. It was found that the coupling complexity between RSNA and BP decreased significantly after anesthesia. There was a significant difference of coupling patterns for BP and RSNA between conscious and anesthetized states.%多尺度熵反映了单个时间序列在多个尺度上的复杂性,本研究提出了多尺度交叉熵的概念和算法,并探索两个时间序列在多个尺度上的耦合行为.首先,将其应用到一个混沌动力学系统的分析中,即Henon-Henon映射.然后,应用多尺度交叉熵分析清醒和麻醉两种状态下血压与肾交感神经活动的非线性耦合模式.结果表明,肾神经活动和血压之间耦合可能具有分形动力学的特征,其复杂度在麻醉后显著降低,而且两种状态下的耦合模式具有明显的差异.
Direct fiber-coupled single photon source based on a photonic crystal waveguide
Ahn, Byeong-Hyeon, E-mail: seygene@kaist.ac.kr; Lee, Chang-Min; Lim, Hee-Jin [Department of Physics, KAIST, Daejeon 305-701 (Korea, Republic of); Schlereth, Thomas W.; Kamp, Martin [Technische Physik, Physikalisches Institut and Wilhelm Conrad Röntgen-Center for Complex Material Systems, Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Höfling, Sven [Technische Physik, Physikalisches Institut and Wilhelm Conrad Röntgen-Center for Complex Material Systems, Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); SUPA, School of Physics and Astronomy, University of St. Andrews, St. Andrews KY16 9SS (United Kingdom); Lee, Yong-Hee [Department of Physics, KAIST, Daejeon 305-701 (Korea, Republic of); Graduate School of Nanoscience and Technology (WCU), KAIST, Daejeon 305-701 (Korea, Republic of)
2015-08-24
A single photon source plays a key role in quantum applications such as quantum computers and quantum communications. Epitaxially grown quantum dots are one of the promising platforms to implement a good single photon source. However, it is challenging to realize an efficient single photon source based on semiconductor materials due to their high refractive index. Here we demonstrate a direct fiber coupled single photon source with high collection efficiency by employing a photonic crystal (PhC) waveguide and a tapered micro-fiber. To confirm the single photon nature, the second-order correlation function g{sup (2)}(τ) is measured with a Hanbury Brown-Twiss setup. The measured g{sup (2)}(0) value is 0.15, and we can estimate 24% direct collection efficiency from a quantum dot to the fiber.
Zhu, Yuping; Chen, Tao; Teng, Yao; Liu, Bingfei; Xue, Lijun
2016-11-01
Directionally solidified, polycrystalline Ni-Mn-Ga is studied in this paper. The polycrystalline Ni-Mn-Ga samples were cut at different angles to solidification direction. The magnetic field induced strain under constant stress and the temperature-induced strain under constant magnetic field during the loading-unloading cycle were measured. The experimental results show that the mechanical behavior during the loading-unloading cycle of the material is nonlinear and anisotropic. Based on the experimental results, the effects of multi-field coupling factors, such as stress, magnetic field, temperature and cutting angle on the mechanical behaviors were analyzed. Some useful conclusions were obtained, which will provide guidance for practical applications.
Hauet, T.; Gunther, C.M.; Pfau, B.; Eisebitt, S.; Fischer, P.; Rick, R. L.; Thiele, J.-U.; Hellwig, O.; Schabes, M.E.
2007-07-01
Dipolar interactions in a soft/Pd/hard [CoNi/Pd]{sub 30}/Pd/[Co/Pd]{sub 20} multilayer system, where a thick Pd layer between two ferromagnetic units prevents direct exchange coupling, are directly revealed by combining magnetometry and state-of-the-art layer resolving soft x-ray imaging techniques with sub-100-nm spatial resolution. The domains forming in the soft layer during external magnetic field reversal are found to match the domains previously trapped in the hard layer. The low Curie temperature of the soft layer allows varying its intrinsic parameters via temperature and thus studying the competition with dipolar fields due to the domains in the hard layer. Micromagnetic simulations elucidate the role of [CoNi/Pd] magnetization, exchange, and anisotropy in the duplication process. Finally, thermally driven domain replication in remanence during temperature cycling is demonstrated.
Transfer Entropy Estimation and Directional Coupling Change Detection in Biomedical Time Series
Lee Joon
2012-04-01
Full Text Available Abstract Background The detection of change in magnitude of directional coupling between two non-linear time series is a common subject of interest in the biomedical domain, including studies involving the respiratory chemoreflex system. Although transfer entropy is a useful tool in this avenue, no study to date has investigated how different transfer entropy estimation methods perform in typical biomedical applications featuring small sample size and presence of outliers. Methods With respect to detection of increased coupling strength, we compared three transfer entropy estimation techniques using both simulated time series and respiratory recordings from lambs. The following estimation methods were analyzed: fixed-binning with ranking, kernel density estimation (KDE, and the Darbellay-Vajda (D-V adaptive partitioning algorithm extended to three dimensions. In the simulated experiment, sample size was varied from 50 to 200, while coupling strength was increased. In order to introduce outliers, the heavy-tailed Laplace distribution was utilized. In the lamb experiment, the objective was to detect increased respiratory-related chemosensitivity to O2 and CO2 induced by a drug, domperidone. Specifically, the separate influence of end-tidal PO2 and PCO2 on minute ventilation (V˙E before and after administration of domperidone was analyzed. Results In the simulation, KDE detected increased coupling strength at the lowest SNR among the three methods. In the lamb experiment, D-V partitioning resulted in the statistically strongest increase in transfer entropy post-domperidone for PO2→V˙E. In addition, D-V partitioning was the only method that could detect an increase in transfer entropy for PCO2→V˙E, in agreement with experimental findings. Conclusions Transfer entropy is capable of detecting directional coupling changes in non-linear biomedical time series analysis featuring a small number of observations and presence of outliers. The results
Transfer entropy estimation and directional coupling change detection in biomedical time series.
Lee, Joon; Nemati, Shamim; Silva, Ikaro; Edwards, Bradley A; Butler, James P; Malhotra, Atul
2012-04-13
The detection of change in magnitude of directional coupling between two non-linear time series is a common subject of interest in the biomedical domain, including studies involving the respiratory chemoreflex system. Although transfer entropy is a useful tool in this avenue, no study to date has investigated how different transfer entropy estimation methods perform in typical biomedical applications featuring small sample size and presence of outliers. With respect to detection of increased coupling strength, we compared three transfer entropy estimation techniques using both simulated time series and respiratory recordings from lambs. The following estimation methods were analyzed: fixed-binning with ranking, kernel density estimation (KDE), and the Darbellay-Vajda (D-V) adaptive partitioning algorithm extended to three dimensions. In the simulated experiment, sample size was varied from 50 to 200, while coupling strength was increased. In order to introduce outliers, the heavy-tailed Laplace distribution was utilized. In the lamb experiment, the objective was to detect increased respiratory-related chemosensitivity to O2 and CO2 induced by a drug, domperidone. Specifically, the separate influence of end-tidal PO2 and PCO2 on minute ventilation (V˙E) before and after administration of domperidone was analyzed. In the simulation, KDE detected increased coupling strength at the lowest SNR among the three methods. In the lamb experiment, D-V partitioning resulted in the statistically strongest increase in transfer entropy post-domperidone for PO2 → VE. In addition, D-V partitioning was the only method that could detect an increase in transfer entropy for PCO2 → VE, in agreement with experimental findings. Transfer entropy is capable of detecting directional coupling changes in non-linear biomedical time series analysis featuring a small number of observations and presence of outliers. The results of this study suggest that fixed-binning, even with ranking, is
Multiscale modeling of turbulent channel flow over porous walls
Yogaraj, Sudhakar; Lacis, Ugis; Bagheri, Shervin
2016-11-01
We perform direct numerical simulations of fully developed turbulent flow through a channel coated with a porous material. The Navier-stokes equations governing the fluid domain and the Darcy equations of the porous medium are coupled using an iterative partitioned scheme. At the interface between the two media, boundary conditions derived using a multiscale homogenization approach are enforced. The main feature of this approach is that the anisotropic micro-structural pore features are directly taken into consideration to derive the constitutive coefficients of the porous media as well as of the interface. The focus of the present work is to study the influence of micro-structure pore geometry on the dynamics of turbulent flows. Detailed turbulence statistics and instantaneous flow field are presented. For comparison, flow through impermeable channel flows are included. Supported by the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant agreement No 708281.
Sivachandran Paulsamy
2014-01-01
Full Text Available In wind energy systems employing permanent magnet generator, there is an imperative need to reduce the cogging torque for smooth and reliable cut in operation. In a permanent magnet generator, cogging torque is produced due to interaction of the rotor magnets with slots and teeth of the stator. This paper is a result of an ongoing research work that deals with various methods to reduce cogging torque in dual rotor radial flux permanent magnet generator (DRFPMG for direct coupled stand alone wind energy systems (SAWES. Three methods were applied to reduce the cogging torque in DRFPMG. The methods were changing slot opening width, changing magnet pole arc width and shifting of slot openings. A combination of these three methods was applied to reduce the cogging torque to a level suitable for direct coupled SAWES. Both determination and reduction of cogging torque were carried out by finite element analysis (FEA using MagNet Software. The cogging torque of DRFPMG has been reduced without major change in induced emf. A prototype of 1 kW, 120 rpm DRFPMG was fabricated and tested to validate the simulation results. The test results have good agreement with the simulation predictions.
Paulsamy, Sivachandran
2014-01-01
In wind energy systems employing permanent magnet generator, there is an imperative need to reduce the cogging torque for smooth and reliable cut in operation. In a permanent magnet generator, cogging torque is produced due to interaction of the rotor magnets with slots and teeth of the stator. This paper is a result of an ongoing research work that deals with various methods to reduce cogging torque in dual rotor radial flux permanent magnet generator (DRFPMG) for direct coupled stand alone wind energy systems (SAWES). Three methods were applied to reduce the cogging torque in DRFPMG. The methods were changing slot opening width, changing magnet pole arc width and shifting of slot openings. A combination of these three methods was applied to reduce the cogging torque to a level suitable for direct coupled SAWES. Both determination and reduction of cogging torque were carried out by finite element analysis (FEA) using MagNet Software. The cogging torque of DRFPMG has been reduced without major change in induced emf. A prototype of 1 kW, 120 rpm DRFPMG was fabricated and tested to validate the simulation results. The test results have good agreement with the simulation predictions.
van Haastert, Peter J M; Keizer-Gunnink, Ineke; Kortholt, Arjan
2017-04-01
Many eukaryotic cells regulate their mobility by external cues. Genetic studies have identified >100 components that participate in chemotaxis, which hinders the identification of the conceptual framework of how cells sense and respond to shallow chemical gradients. The activation of Ras occurs during basal locomotion and is an essential connector between receptor and cytoskeleton during chemotaxis. Using a sensitive assay for activated Ras, we show here that activation of Ras and F-actin forms two excitable systems that are coupled through mutual positive feedback and memory. This coupled excitable system leads to short-lived patches of activated Ras and associated F-actin that precede the extension of protrusions. In buffer, excitability starts frequently with Ras activation in the back/side of the cell or with F-actin in the front of the cell. In a shallow gradient of chemoattractant, local Ras activation triggers full excitation of Ras and subsequently F-actin at the side of the cell facing the chemoattractant, leading to directed pseudopod extension and chemotaxis. A computational model shows that the coupled excitable Ras/F-actin system forms the driving heart for the ordered-stochastic extension of pseudopods in buffer and for efficient directional extension of pseudopods in chemotactic gradients. © 2017 van Haastert et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).
Charge-coupled device spectrograph for direct solar irradiance and sky radiance measurements.
Kouremeti, Natalia; Bais, Alkiviadis; Kazadzis, Stelios; Blumthaler, Mario; Schmitt, Rainer
2008-04-01
The characterization of a charged-coupled device (CCD) spectrograph developed at the Laboratory of Atmospheric Physics, Thessaloniki is presented. The absolute sensitivity of the instrument for direct irradiance and sky radiance measurements was determined, respectively, with an uncertainty of 4.4% and 6.6% in the UV-B, and 3% and 6% in the UV-A, visible and near-infrared (NIR) wavelength ranges. The overall uncertainty associated with the direct irradiance and the sky radiance measurements is, respectively, of the order of 5% and 7% in the UV-B, increasing to 10% for low signals [e.g., at solar zenith angles (SZAs) larger than 70 degrees ], and 4% and 6% in the UV-A, visible, and NIR. Direct solar spectral irradiance measurements from an independently calibrated spectroradiometer (Bentham DTM 300) were compared with the corresponding CCD measurements. Their agreement in the wavelength range of 310-500nm is within 0.5% +/- 1.1% (for SZA between 20 degrees and 70 degrees ). Aerosol optical depth (AOD) derived by the two instruments using direct Sun spectra and by a collocated Cimel sunphotometer [Aerosol Robotic network (AERONET)] agree to within 0.02 +/- 0.02 in the range of 315-870 nm. Significant correlation coefficients with a maximum of 0.99 in the range of 340-360 nm and a minimum of 0.90 at 870 nm were found between synchronous AOD measurements with the Bentham and the Cimel instruments.
tBuLi-Mediated One-Pot Direct Highly Selective Cross-Coupling of Two Distinct Aryl Bromides
Vila, Carlos; Cembellin, Sara; Hornillos, Valentin; Giannerini, Massimo; Fananas-Mastral, Martin; Feringa, Ben L.
2015-01-01
A Pd-catalyzed direct cross-coupling of two distinct aryl bromides mediated by tBuLi is described. The use of [Pd-PEPPSI-IPr] or [Pd-PEPPSI-IPent] as catalyst allows for the efficient one-pot synthesis of unsymmetrical biaryls at room temperature. The key for this selective cross-coupling is the use
Generalized Multiscale Finite Element Methods for Wave Propagation in Heterogeneous Media
Chung, Eric T.
2014-11-13
Numerical modeling of wave propagation in heterogeneous media is important in many applications. Due to their complex nature, direct numerical simulations on the fine grid are prohibitively expensive. It is therefore important to develop efficient and accurate methods that allow the use of coarse grids. In this paper, we present a multiscale finite element method for wave propagation on a coarse grid. The proposed method is based on the generalized multiscale finite element method (GMsFEM) (see [Y. Efendiev, J. Galvis, and T. Hou, J. Comput. Phys., 251 (2012), pp. 116--135]). To construct multiscale basis functions, we start with two snapshot spaces in each coarse-grid block, where one represents the degrees of freedom on the boundary and the other represents the degrees of freedom in the interior. We use local spectral problems to identify important modes in each snapshot space. These local spectral problems are different from each other and their formulations are based on the analysis. To the best of knowledge, this is the first time that multiple snapshot spaces and multiple spectral problems are used and necessary for efficient computations. Using the dominant modes from local spectral problems, multiscale basis functions are constructed to represent the solution space locally within each coarse block. These multiscale basis functions are coupled via the symmetric interior penalty discontinuous Galerkin method which provides a block diagonal mass matrix and, consequently, results in fast computations in an explicit time discretization. Our methods\\' stability and spectral convergence are rigorously analyzed. Numerical examples are presented to show our methods\\' performance. We also test oversampling strategies. In particular, we discuss how the modes from different snapshot spaces can affect the proposed methods\\' accuracy.
Iqbal, Muhammad; Rehan, Muhammad; Khaliq, Abdul; Saeed-ur-Rehman; Hong, Keum-Shik
2014-01-01
This paper investigates the chaotic behavior and synchronization of two different coupled chaotic FitzHugh-Nagumo (FHN) neurons with unknown parameters under external electrical stimulation (EES). The coupled FHN neurons of different parameters admit unidirectional and bidirectional gap junctions in the medium between them. Dynamical properties, such as the increase in synchronization error as a consequence of the deviation of neuronal parameters for unlike neurons, the effect of difference in coupling strengths caused by the unidirectional gap junctions, and the impact of large time-delay due to separation of neurons, are studied in exploring the behavior of the coupled system. A novel integral-based nonlinear adaptive control scheme, to cope with the infeasibility of the recovery variable, for synchronization of two coupled delayed chaotic FHN neurons of different and unknown parameters under uncertain EES is derived. Further, to guarantee robust synchronization of different neurons against disturbances, the proposed control methodology is modified to achieve the uniformly ultimately bounded synchronization. The parametric estimation errors can be reduced by selecting suitable control parameters. The effectiveness of the proposed control scheme is illustrated via numerical simulations.
Muhammad Iqbal
2014-01-01
Full Text Available This paper investigates the chaotic behavior and synchronization of two different coupled chaotic FitzHugh-Nagumo (FHN neurons with unknown parameters under external electrical stimulation (EES. The coupled FHN neurons of different parameters admit unidirectional and bidirectional gap junctions in the medium between them. Dynamical properties, such as the increase in synchronization error as a consequence of the deviation of neuronal parameters for unlike neurons, the effect of difference in coupling strengths caused by the unidirectional gap junctions, and the impact of large time-delay due to separation of neurons, are studied in exploring the behavior of the coupled system. A novel integral-based nonlinear adaptive control scheme, to cope with the infeasibility of the recovery variable, for synchronization of two coupled delayed chaotic FHN neurons of different and unknown parameters under uncertain EES is derived. Further, to guarantee robust synchronization of different neurons against disturbances, the proposed control methodology is modified to achieve the uniformly ultimately bounded synchronization. The parametric estimation errors can be reduced by selecting suitable control parameters. The effectiveness of the proposed control scheme is illustrated via numerical simulations.
Multiscale Gentlest Ascent Dynamics
Zhou, Xiang
2016-01-01
The gentlest ascent dynamics (E and Zhou in {\\it Nonlinearity} vol 24, p1831, 2011) locally converges to a nearby saddle point with one dimensional unstable manifold. Here we present a multiscale gentlest ascent dynamics for stochastic slow-fast systems in order to compute saddle point associated with the effective dynamics of the slow variable. Such saddle points, as the candidates of transition states, are important in non-equilibrium transitions for the coarse-grained slow variables; they are also helpful to explore free energy surface. We derive the expressions of the gentlest ascent dynamics for the averaged system, and propose the multiscale numerical methods to efficiently solve the multiscale gentlest ascent dynamics for search of saddle point. The examples of stochastic ordinary and partial differential equations are presented to illustrate the performance of this multiscale gentlest ascent dynamics.
Deisboeck, Thomas S; Wang, Zhihui; Macklin, Paul; Cristini, Vittorio
2011-08-15
Simulating cancer behavior across multiple biological scales in space and time, i.e., multiscale cancer modeling, is increasingly being recognized as a powerful tool to refine hypotheses, focus experiments, and enable more accurate predictions. A growing number of examples illustrate the value of this approach in providing quantitative insights in the initiation, progression, and treatment of cancer. In this review, we introduce the most recent and important multiscale cancer modeling works that have successfully established a mechanistic link between different biological scales. Biophysical, biochemical, and biomechanical factors are considered in these models. We also discuss innovative, cutting-edge modeling methods that are moving predictive multiscale cancer modeling toward clinical application. Furthermore, because the development of multiscale cancer models requires a new level of collaboration among scientists from a variety of fields such as biology, medicine, physics, mathematics, engineering, and computer science, an innovative Web-based infrastructure is needed to support this growing community.
Sam Walcott
2015-11-01
Full Text Available Muscle contracts due to ATP-dependent interactions of myosin motors with thin filaments composed of the proteins actin, troponin, and tropomyosin. Contraction is initiated when calcium binds to troponin, which changes conformation and displaces tropomyosin, a filamentous protein that wraps around the actin filament, thereby exposing myosin binding sites on actin. Myosin motors interact with each other indirectly via tropomyosin, since myosin binding to actin locally displaces tropomyosin and thereby facilitates binding of nearby myosin. Defining and modeling this local coupling between myosin motors is an open problem in muscle modeling and, more broadly, a requirement to understanding the connection between muscle contraction at the molecular and macro scale. It is challenging to directly observe this coupling, and such measurements have only recently been made. Analysis of these data suggests that two myosin heads are required to activate the thin filament. This result contrasts with a theoretical model, which reproduces several indirect measurements of coupling between myosin, that assumes a single myosin head can activate the thin filament. To understand this apparent discrepancy, we incorporated the model into stochastic simulations of the experiments, which generated simulated data that were then analyzed identically to the experimental measurements. By varying a single parameter, good agreement between simulation and experiment was established. The conclusion that two myosin molecules are required to activate the thin filament arises from an assumption, made during data analysis, that the intensity of the fluorescent tags attached to myosin varies depending on experimental condition. We provide an alternative explanation that reconciles theory and experiment without assuming that the intensity of the fluorescent tags varies.
Peridynamic Multiscale Finite Element Methods
Costa, Timothy [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bond, Stephen D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Littlewood, David John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Moore, Stan Gerald [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-12-01
The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic and local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the
Objective multiscale analysis of random heterogeneous materials
Lloberas Valls, O.; Everdij, F.P.X.; Rixen, D.J.; Simone, A.; Sluys, L.J.
2013-01-01
The multiscale framework presented in [1, 2] is assessed in this contribution for a study of random heterogeneous materials. Results are compared to direct numerical simulations (DNS) and the sensitivity to user-defined parameters such as the domain decomposition type and initial coarse scale resolu
Improvement of directionality and sound-localization by internal ear coupling in barn owls
Wagner, Hermann; Christensen-Dalsgaard, Jakob; Kettler, Lutz
Mark Konishi was one of the first to quantify sound-localization capabilities in barn owls. He showed that frequencies between 3 and 10 kHz underlie precise sound localization in these birds, and that they derive spatial information from processing interaural time and interaural level differences....... However, despite intensive research during the last 40 years it is still unclear whether and how internal ear coupling contributes to sound localization in the barn owl. Here we investigated ear directionality in anesthetized birds with the help of laser vibrometry. Care was taken that anesthesia...... time difference in the low-frequency range, barn owls hesitate to approach prey or turn their heads when only low-frequency auditory information is present in a stimulus they receive. Thus, the barn-owl's sound localization system seems to be adapted to work best in frequency ranges where interaural...
MAO Xiao-Yu; YAO Di-Bi; ZHAO Ling-Yun; HUANG Yi-Dong; ZHANG Wei; PENG Jiang-De
2008-01-01
We propose an integrative biochemical sensor utilizing the dip in the transmission spectrum of a normal singleline defect photonic crystal(PC)waveguide,which has a contra-directional coupling with another PC waveguide.When the air holes in the PC slab are filled with a liquid analyte with different refractive indices,the dip has a wavelength shift.By detecting the output power variation at a certain fixed wavelength,a sensitivity of 1.2×10-4is feasible.This structure is easy for integration due to its plane waveguide structure and omissible pump source.In addition,high signal to noise ratio can be expected because signal transmits via a normal single-line defect PC waveguide instead of the PC hole area or analyte.
Direct Modulation of Heterotrimeric G Protein-coupled Signaling by a Receptor Kinase Complex.
Tunc-Ozdemir, Meral; Urano, Daisuke; Jaiswal, Dinesh Kumar; Clouse, Steven D; Jones, Alan M
2016-07-01
Plants and some protists have heterotrimeric G protein complexes that activate spontaneously without canonical G protein-coupled receptors (GPCRs). In Arabidopsis, the sole 7-transmembrane regulator of G protein signaling 1 (AtRGS1) modulates the G protein complex by keeping it in the resting state (GDP-bound). However, it remains unknown how a myriad of biological responses is achieved with a single G protein modulator. We propose that in complete contrast to G protein activation in animals, plant leucine-rich repeat receptor-like kinases (LRR RLKs), not GPCRs, provide this discrimination through phosphorylation of AtRGS1 in a ligand-dependent manner. G protein signaling is directly activated by the pathogen-associated molecular pattern flagellin peptide 22 through its LRR RLK, FLS2, and co-receptor BAK1.
Chi-Wei Lo
2011-12-01
Full Text Available Harvesting and storing solar energy has become more and more important. Current solid-state photovoltaic cells and conventional photoelectrochemical cells are not capable of directly storing the converted energy, which has to be facilitated by connecting to external storing devices. We demonstrate a device architecture that can convert and store solar energy in the electrical form within an intrinsically single structure. Mobile charge is internally stored, based on the coupling between photoelectrochemical and ferroelectric effects. The tested device architecture can be photo-charged under 1000 W/m2 of white light to an open-circuit voltage of 0.47V with a capacity of 37.62 mC/cm2. After removal of the light source, the mobile charge stored lasts more than 8 hours, and the open-circuit output voltage lasts more than 24 hours.
Lindsay, Andrew J; McCaffrey, Mary W
2004-07-30
Rab coupling protein (RCP) is a member of the Rab11-family of interacting proteins (Rab11-FIPs). Family members are characterised by their ability to interact with Rab11. This property is mediated by a conserved Rab binding domain (RBD) located at their carboxy-termini. Several Rab11-FIPs can also interact with other small GTPases. RCP interacts with Rab4 in addition to Rab11. To dissect out the individual properties of the Rab4 and Rab11 interactions with RCP, conserved amino acids within the RBD of RCP were mutated by site-directed mutagenesis. The effect of these mutations on Rab4 and Rab11 binding, and the intracellular localisation of RCP, was examined. Our results indicate that Rab11, rather than Rab4, mediates the intracellular localisation of RCP, and that the class I Rab11-FIPs compete for binding to Rab11.
Tetsuhiko Maeda
2016-01-01
Full Text Available We propose control methods of a photovoltaic (PV-water electrolyzer (ELY system that generates hydrogen by controlling the number of ELY cells. The advantage of this direct coupling between PV and ELY is that the power loss of DC/DC converter is avoided. In this study, a total of 15 ELY cells are used. In the previous researches, the electrolyzer temperature was constantly controlled with a thermostat. Actually, the electrolyzer temperature is decided by the balance of the electrolysis loss and the heat loss to the outside. Here, the method to control the number of ELY cells was investigated. Maximum Power Point Tracking efficiency of more than 96% was achieved without ELY temperature control. Furthermore we construct a numerical model taking into account of ELY temperature. Using this model, we performed a numerical simulation of 1-year. Experimental data and the simulation results shows the validity of the proposed control method.
Generalized multiscale radial basis function networks.
Billings, Stephen A; Wei, Hua-Liang; Balikhin, Michael A
2007-12-01
A novel modelling framework is proposed for constructing parsimonious and flexible multiscale radial basis function networks (RBF). Unlike a conventional standard single scale RBF network, where all the basis functions have a common kernel width, the new network structure adopts multiscale Gaussian functions as the bases, where each selected centre has multiple kernel widths, to provide more flexible representations with better generalization properties for general nonlinear dynamical systems. As a direct extension of the traditional single scale Gaussian networks, the new multiscale network is easy to implement and is quick to learn using standard learning algorithms. A k-means clustering algorithm and an improved orthogonal least squares (OLS) algorithm are used to determine the unknown parameters in the network model including the centres and widths of the basis functions, and the weights between the basis functions. It is demonstrated that the new network can lead to a parsimonious model with much better generalization property compared with the traditional single width RBF networks.
杨娜; 陈后金; 郝晓莉; 李艳凤
2013-01-01
The license plate of the moving vehicle image has some characteristics such as small proportion, random positions and different sizes. The plate regions are easily in a state of under-segmentation and over-segmentation when we segment the vehicle images. Pulse coupled neural network(PCNN) is known as the third generation neural network and is widely used in image segmentation. In the process of image segmentation which uses pulse coupled neural networks to simulate human vision, traditional PCNN model can't meet the scale change needs for image segmentation because of the fixed values in the connection weight matrix. In order to solve this problem, the method of image segmentation based on pulse coupled neural networks of multi-scale space was proposed. The scale space was introduced into traditional PCNN model to make the model possess the scale characteristics and improve the system' s ability to segment license plate image adaptively.%运动车辆图像中车牌具有所占比例小、位置不固定和大小不一的特点,因此,对车辆图像分割时车牌区域容易产生过分割与欠分割问题.脉冲耦合神经网络(Pulse Coupled Neural Network,PCNN)被誉为“第三代神经网络”并广泛应用于图像分割.在利用PCNN模拟人类视觉的图像分割过程中,由于传统PCNN模型中的连接矩阵使用固定值表示,使得PCNN模型不能满足图像分割时尺度变化的需求.为了解决这个问题,本文提出了基于多尺度空间PCNN模型的车辆图像分割算法,将尺度空间引入PCNN模型,使PCNN模型具有了尺度特性,提高了系统自适应分割车牌图像的能力.
Wade, Andrew; Emmett, Bridget; Jago, Colin; Stutter, Marc; Biggs, Jeremy
2016-04-01
Turf2Surf is a large, multi-disciplinary project that aims to test the hypothesis that the spatial and temporal patterns of water quality, C sequestration and biodiversity are better explained through the large-scale coupling of C, N and P cycles than by single cycle, single system approaches. To achieve this, a catchment-scale study of the River Conwy (349 km2) in Wales is being done with emphasis on determining when, where and how coupled macronutrient (C, N, P) cycling occurs in the biogeochemical hot-spots of the soils, the riparian zone, instream and in the river-estuarine transition zone. A major integrated measurement programme is now largely complete. New data are being analysed to understand which soil properties have greatest influence on above and below-ground productivity including plant traits and how microbial processing is controlled by stoichiometry and nutrient priming. Within the stream network, new understanding is being produced on the in-river algal and whole ecosystem (metabolic) response to CNP additions and the factors affecting the fate and cycling of organic matter. In the estuary, initial results indicate a subsurface jet is causing stratification and a velocity anomaly has been observed. Both are important in terms of suspended matter transport and floc break-up. An integrated model is being built to describe the soil-atmosphere-vegetation processes which is linked, firstly, to flow and water quality models that describe the CNP flux transport and transformations from the headwaters to the estuary and, secondly, to biodiversity models. The purpose of the integrated model is to quantify how coupled CNP cycles may respond to environmental change and thereby affect C sequestration, water quality and biodiversity in the future. The team are now in the major phase of data synthesis and model development and are interested in linking with similar studies involving coupled CNP cycles across the atmospheric
Warthog: A MOOSE-Based Application for the Direct Code Coupling of BISON and PROTEUS
McCaskey, Alexander J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Slattery, Stuart [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Billings, Jay Jay [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2015-09-01
. Furthermore, we will show how Warthog leverages a tool known as DataTransferKit to seamlessly enable the transfer for solution data between disparate frameworks and mesh formats. To end, we will demonstrate tests for the direct software coupling of BISON and PROTEUS using Warthog, and discuss current impediments and solutions to the construction of physically realistic input models for this coupled BISON-PROTEUS system.
Lozano-Soldevilla, Diego; ter Huurne, Niels; Oostenveld, Robert
2016-01-01
Neuronal oscillations support cognitive processing. Modern views suggest that neuronal oscillations do not only reflect coordinated activity in spatially distributed networks, but also that there is interaction between the oscillations at different frequencies. For example, invasive recordings in animals and humans have found that the amplitude of fast oscillations (>40 Hz) occur non-uniformly within the phase of slower oscillations, forming the so-called cross-frequency coupling (CFC). However, the CFC patterns might be influenced by features in the signal that do not relate to underlying physiological interactions. For example, CFC estimates may be sensitive to spectral correlations due to non-sinusoidal properties of the alpha band wave morphology. To investigate this issue, we performed CFC analysis using experimental and synthetic data. The former consisted in a double-blind magnetoencephalography pharmacological study in which participants received either placebo, 0.5 or 1.5 mg of lorazepam (LZP; GABAergic enhancer) in different experimental sessions. By recording oscillatory brain activity with during rest and working memory (WM), we were able to demonstrate that posterior alpha (8–12 Hz) phase was coupled to beta-low gamma band (20–45 Hz) amplitude envelope during all sessions. Importantly, bicoherence values around the harmonics of the alpha frequency were similar both in magnitude and topographic distribution to the cross-frequency coherence (CFCoh) values observed in the alpha-phase to beta-low gamma coupling. In addition, despite the large CFCoh we found no significant cross-frequency directionality (CFD). Critically, simulations demonstrated that a sizable part of our empirical CFCoh between alpha and beta-low gamma coupling and the lack of CFD could be explained by two-three harmonics aligned in zero phase-lag produced by the physiologically characteristic alpha asymmetry in the amplitude of the peaks relative to the troughs. Furthermore, we
Diego Lozano-Soldevilla
2016-08-01
Full Text Available Neuronal oscillations support cognitive processing. Modern views suggest that neuronal oscillations do not only reflect coordinated activity in spatially distributed networks, but also that there is interaction between the oscillations at different frequencies. For example, invasive recordings in animals and humans have found that the amplitude of fast oscillations (> 40 Hz occur non-uniformly within the phase of slower oscillations, forming the so-called cross-frequency coupling (CFC. However, the CFC patterns be influenced by features in the signal that do not relate to underlying physiological interactions. For example, CFC estimates may be sensitive to spectral correlations due to non-sinusoidal properties of the alpha band wave morphology. To investigate this issue, we performed CFC analysis using experimental and synthetic data. The former consisted in a double-blind magnetoencephalography pharmacological study in which participants received either placebo, 0.5 mg or 1.5 mg of lorazepam (LZP; GABAergic enhancer in different experimental sessions. By recording oscillatory brain activity with during rest and working memory (WM, we were able to demonstrate that posterior alpha (8 – 12 Hz phase was coupled to beta-low gamma band (20 – 45 Hz amplitude envelope during all sessions. Importantly, bicoherence values around the harmonics of the alpha frequency were similar both in magnitude and topographic distribution to the cross-frequency coherence (CFCoh values observed in the alpha-phase to beta-low gamma coupling. In addition, despite the large CFCoh we found no significant cross-frequency directionality (CFD. Critically, simulations demonstrated that a sizable part of our empirical CFCoh between alpha and beta-low gamma coupling and the lack of CFD could be explained by two-three harmonics aligned in zero phase-lag produced by the physiologically characteristic alpha asymmetry in the amplitude of the peaks relative to the troughs
Warthog: A MOOSE-Based Application for the Direct Code Coupling of BISON and PROTEUS
McCaskey, Alexander J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Slattery, Stuart [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Billings, Jay Jay [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2015-09-01
Warthog leverages a tool known as DataTransferKit to seamlessly enable the transfer for solution data between disparate frameworks and mesh formats. To end, we demonstrate tests for the direct software coupling of BISON and PROTEUS using Warthog, and discuss current impediments and solutions to the construction of physically realistic input models for this coupled BISON-PROTEUS system.
Sakellariou, Jason; Roudi, Yasser; Mezard, Marc;
2012-01-01
. The three theories include the first and second order Plefka expansions, referred to as naive mean field (nMF) and TAP, respectively, and a mean field theory which is exact for fully asymmetric couplings. We call the last of these simply MF theory. We show that for the direct problem, nMF performs worse......We study how the degree of symmetry in the couplings influences the performance of three mean field methods used for solving the direct and inverse problems for generalized Sherrington-Kirkpatrick models. In this context, the direct problem is predicting the potentially time-varying magnetizations...
Lambropoulos, Nicholas A; Reimers, Jeffrey R; Crossley, Maxwell J; Hush, Noel S; Silverbrook, Kia
2013-12-20
A general method useful in molecular electronics design is developed that integrates modelling on the nano-scale (using quantum-chemical software) and on the micro-scale (using finite-element methods). It is applied to the design of an n-bit shift register memory that could conceivably be built using accessible technologies. To achieve this, the entire complex structure of the device would be built to atomic precision using feedback-controlled lithography to provide atomic-level control of silicon devices, controlled wet-chemical synthesis of molecular insulating pillars above the silicon, and controlled wet-chemical self-assembly of modular molecular devices to these pillars that connect to external metal electrodes (leads). The shift register consists of n connected cells that read data from an input electrode, pass it sequentially between the cells under the control of two external clock electrodes, and deliver it finally to an output device. The proposed cells are trimeric oligoporphyrin units whose internal states are manipulated to provide functionality, covalently connected to other cells via dipeptide linkages. Signals from the clock electrodes are conveyed by oligoporphyrin molecular wires, and μ-oxo porphyrin insulating columns are used as the supporting pillars. The developed multiscale modelling technique is applied to determine the characteristics of this molecular device, with in particular utilization of the inverted region for molecular electron-transfer processes shown to facilitate latching and control using exceptionally low energy costs per logic operation compared to standard CMOS shift register technology.
Stephen Pankavich
2015-02-01
Full Text Available Many mesoscopic N-atom systems derive their structural and dynamical properties from processes coupled across multiple scales in space and time. That is, they simultaneously deform or display collective behaviors, while experiencing atomic scale vibrations and collisions. Due to the large number of atoms involved and the need to simulate over long time periods of biological interest, traditional computational tools, like molecular dynamics, are often infeasible for such systems. Hence, in the current review article, we present and discuss two recent multiscale methods, stemming from the N-atom formulation and an underlying scale separation, that can be used to study such systems in a friction-dominated regime: multiscale perturbation theory and multiscale factorization. These novel analytic foundations provide a self-consistent approach to yield accurate and feasible long-time simulations with atomic detail for a variety of multiscale phenomena, such as viral structural transitions and macromolecular self-assembly. As such, the accuracy and efficiency of the associated algorithms are demonstrated for a few representative biological systems, including satellite tobacco mosaic virus (STMV and lactoferrin.
Hu, Bin; Xin, Gui-zhong; So, Pui-Kin; Yao, Zhong-Ping
2015-10-09
Conventional mass spectrometric analysis of raw samples commonly requires sample pretreatment and chromatographic separation using high performance liquid chromatography or gas chromatography, which could be time-consuming and laborious. In this study, thin layer chromatography (TLC) coupled with electrospray ionization mass spectrometry (ESI-MS) was developed for direct analysis of raw samples. The sorbent material of the TLC plate was found to be able to retain the interfering compounds and allow interested analytes to be extracted, ionized and detected by ESI-MS with much reduced matrix interference. Our results showed that this method could be effectively applied in direct analysis of samples containing common interfering compounds, e.g., salts and detergents, and rapid detection and quantitation of target analytes in raw samples. Offline and online separation and detection of different components in mixture samples, e.g., plant extracts, using TLC-ESI-MS were also demonstrated. Overall, this study revealed that TLC-ESI-MS could be a simple, rapid and efficient method for analysis of raw samples. Copyright © 2015 Elsevier B.V. All rights reserved.
Hawes, Matthew; Mihaylova, Lyudmila; Septier, Francois; Godsill, Simon
2017-03-01
The problem of estimating the dynamic direction of arrival of far field signals impinging on a uniform linear array, with mutual coupling effects, is addressed. This work proposes two novel approaches able to provide accurate solutions, including at the endfire regions of the array. Firstly, a Bayesian compressive sensing Kalman filter is developed, which accounts for the predicted estimated signals rather than using the traditional sparse prior. The posterior probability density function of the received source signals and the expression for the related marginal likelihood function are derived theoretically. Next, a Gibbs sampling based approach with indicator variables in the sparsity prior is developed. This allows sparsity to be explicitly enforced in different ways, including when an angle is too far from the previous estimate. The proposed approaches are validated and evaluated over different test scenarios and compared to the traditional relevance vector machine based method. An improved accuracy in terms of average root mean square error values is achieved (up to 73.39% for the modified relevance vector machine based approach and 86.36% for the Gibbs sampling based approach). The proposed approaches prove to be particularly useful for direction of arrival estimation when the angle of arrival moves into the endfire region of the array.
Distributed infrastructure for multiscale computing
Zasada, S.J.; Mamonski, M.; Groen, D.; Borgdorff, J.; Saverchenko, I.; Piontek, T.; Kurowski, K.; Coveney, P.V.; Boukerche, A.; Cahill, V.; El-Saddik, A.; Theodoropoulos, G.; Walshe, R.
2012-01-01
Today scientists and engineers are commonly faced with the challenge of modelling, predicting and controlling multiscale systems which cross scientific disciplines and where several processes acting at different scales coexist and interact. Such multidisciplinary multiscale models, when simulated in
Charge carrier motion in disordered conjugated polymers: a multiscale ab-initio study
Vukmirovic, Nenad; Wang, Lin-Wang
2009-11-10
We developed an ab-initio multiscale method for simulation of carrier transport in large disordered systems, based on direct calculation of electronic states and electron-phonon coupling constants. It enabled us to obtain the never seen before rich microscopic details of carrier motion in conjugated polymers, which led us to question several assumptions of phenomenological models, widely used in such systems. The macroscopic mobility of disordered poly(3- hexylthiophene) (P3HT) polymer, extracted from our simulation, is in agreement with experimental results from the literature.
Ohya, Yoshinobu; Ishikawa, Kenji; Komuro, Tatsuya; Yamaguchi, Tsuyoshi; Takeda, Keigo; Kondo, Hiroki; Sekine, Makoto; Hori, Masaru
2017-04-01
We present experimentally determined spatial profiles of the interelectrode electron density (n e) in dual-frequency capacitively coupled plasmas in which the negative direct current (dc) bias voltage (V dc) is superposed; in the experiment, 13 MHz (P low) was applied to the lower electrode and 60 MHz (P high) to the upper electrode. The bulk n e increased substantially with increases in the external power, P high, P low, and with increases in V dc. When P low was insufficient, the bulk n e decreased as the V dc bias increased. The bulk n e increased due to its dependence on V dc, especially for |V dc| > 500 V. This may correspond to the sheath voltages (V s) of the lower electrode. The n e values in front of the upper electrode were coupled with the V dc: the V dc dependence first decreased and then increased. The dc currents (I dc) of the upper electrode were collected when a large P low was applied. The value of I dc at the threshold value of V dc ≈ V s (e.g. ‑500 V) increased with an increase in n e. When |V dc| exceeded the threshold, the spatial n e profile and the I dc dependence were changed relative to the electrical characteristics of the dc superposition; this led to a change in the location of the maximum n e, the width of the area of n e depletion in front of the electrodes, and a transition in the electron heating modes.
Wallukat, Gerd; Schimke, Ingolf
2014-05-01
Agonistic autoantibodies (AABs) against G-protein-coupled receptor (GPCR) are present mainly in diseases of the cardiovascular system or in diseases associated with cardiovascular disturbances. The increasing knowledge about the role of autoantibodies against G-protein-coupled receptor (GPCR-AABs) as pathogenic drivers, the resulting development of strategies aimed at their removal or neutralization, and the evidenced patient benefit associated with such therapies have created the need for a summary of GPCR-AAB-associated diseases. Here, we summarize the present knowledge about GPCR-AABs in cardiovascular diseases. The identity of the GPCR-AABs and their prevalence in each of several specific cardiovascular diseases are documented. The structure of GPCR is also briefly discussed. Using this information, differences between classic agonists and GPCR-AABs in their GPCR binding and activation are presented and the resulting pathogenic consequences are discussed. Furthermore, treatment strategies that are currently under study, most of which are aimed at the removal and in vivo neutralization of GPCR-AABs, are indicated and their patient benefits discussed. In this context, immunoadsorption using peptides/proteins or aptamers as binders are introduced. The use of peptides or aptamers for in vivo neutralization of GPCR-AABs is also described. Particular attention is given to the GPCR-AABs directed against the adrenergic beta1-, beta2-, and α1-receptor as well as the muscarinic receptor M2, angiotensin II-angiotensin receptor type I, endothelin1 receptor type A, angiotensin (1-7) Mas-receptor, and 5-hydroxytryptamine receptor 4. Among the diseases associated with GPCR-AABs, special focus is given to idiopathic dilated cardiomyopathy, Chagas' cardiomyopathy, malignant and pulmonary hypertension, and kidney diseases. Relationships of GPCR-AABs are indicated to glaucoma, peripartum cardiomyopathy, myocarditis, pericarditis, preeclampsia, Alzheimer's disease, Sj
Multiscale modelling of evolving foams
Saye, R. I.; Sethian, J. A.
2016-06-01
We present a set of multi-scale interlinked algorithms to model the dynamics of evolving foams. These algorithms couple the key effects of macroscopic bubble rearrangement, thin film drainage, and membrane rupture. For each of the mechanisms, we construct consistent and accurate algorithms, and couple them together to work across the wide range of space and time scales that occur in foam dynamics. These algorithms include second order finite difference projection methods for computing incompressible fluid flow on the macroscale, second order finite element methods to solve thin film drainage equations in the lamellae and Plateau borders, multiphase Voronoi Implicit Interface Methods to track interconnected membrane boundaries and capture topological changes, and Lagrangian particle methods for conservative liquid redistribution during rearrangement and rupture. We derive a full set of numerical approximations that are coupled via interface jump conditions and flux boundary conditions, and show convergence for the individual mechanisms. We demonstrate our approach by computing a variety of foam dynamics, including coupled evolution of three-dimensional bubble clusters attached to an anchored membrane and collapse of a foam cluster.
Devereaux, T. P.; Shvaika, A. M.; Wu, K.; Wohlfeld, K.; Jia, C. J.; Wang, Y.; Moritz, B.; Chaix, L.; Lee, W.-S.; Shen, Z.-X.; Ghiringhelli, G.; Braicovich, L.
2016-10-01
The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge-density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and nonresonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom—the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usually through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong, impacting one's ability to quantitatively characterize the coupling. Here, we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an eight-band model of copper oxides, we study the contributions from the lowest-order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross section, as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and nonresonant x-ray scattering, as well as Raman and infrared conductivity.
Devereaux, T.P.; Shvaika, A.M.; Wu, K.; Wohlfeld, K.; Jia, C.J.; Wang, Y.; Moritz, B.; Chaix, L.; Lee, W.-S.; Shen, Z.-X.; Ghiringhelli, G.; Braicovich, L.
2016-10-25
The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge-density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and nonresonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom—the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usually through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong, impacting one’s ability to quantitatively characterize the coupling. Here, we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an eight-band model of copper oxides, we study the contributions from the lowest-order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross section, as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and nonresonant x-ray scattering, as well as Raman and infrared conductivity.
No direct coupling between bending of galaxy disc stellar age and light profiles
Ruiz-Lara, T; Florido, E; Sánchez-Blázquez, P; Méndez-Abreu, J; Lyubenova, M; Falcón-Barroso, J; Sánchez-Menguiano, L; Sánchez, S F; Galbany, L; García-Benito, R; Delgado, R M González; Husemann, B; Kehrig, C; López-Sánchez, Ángel R; Marino, R A; Mast, D; Papaderos, P; van de Ven, G; Walcher, C J; Zibetti, S
2015-01-01
We study the stellar properties of 44 face-on spiral galaxies from the Calar Alto Legacy Integral Field Area survey via full spectrum fitting techniques. We compare the age profiles with the surface brightness distribution in order to highlight differences between profile types (type I, exponential profile; and II, down-bending profile). We observe an upturn ("U-shape") in the age profiles for 17 out of these 44 galaxies with reliable stellar information up to their outer parts. This "U-shape" is not a unique feature for type II galaxies but can be observed in type I as well. These findings suggest that the mechanisms shaping the surface brightness and stellar population distributions are not directly coupled. This upturn in age is only observable in the light-weighted profiles while it flattens out in the mass-weighted profiles. Given recent results on the outer parts of nearby systems and the results presented in this Letter, one of the most plausible explanations for the age upturn is an early formation of...
MgB{sub 2} magnetometer with a directly coupled pick-up loop
Portesi, C [Istituto Elettrotecnico Nazionale Galileo Ferraris, Strada delle Cacce 91, I-10135 Turin (Italy); Mijatovic, D [Low Temperature Division and Mesa Research Institute, University of Twente, PO Box 217, 7500 AE Enschede (Netherlands); Veldhuis, D [Low Temperature Division and Mesa Research Institute, University of Twente, PO Box 217, 7500 AE Enschede (Netherlands); Brinkman, A [Low Temperature Division and Mesa Research Institute, University of Twente, PO Box 217, 7500 AE Enschede (Netherlands); Monticone, E [Istituto Elettrotecnico Nazionale Galileo Ferraris, Strada delle Cacce 91, I-10135 Turin (Italy); Gonnelli, R S [INFM, Dipartimento di Fisica, Politecnico di Torino, Corso Duca degli Abruzzi 24, I-10129 Turin (Italy)
2006-05-15
In this work, we show the results obtained in the fabrication and characterization of an MgB{sub 2} magnetometer with a directly coupled pick-up loop. We used an all in situ technique for fabricating magnesium diboride films, which consists of the co-evaporation of B and Mg by means of an e-gun and a resistive heater respectively. Consequently, we realized the superconducting device, which incorporates two nanobridges as weak links in a superconducting loop. The nanobridges were realized by focused ion beam milling; they were 240 nm wide and had a critical current density of 10{sup 7} A cm{sup -2}. The magnetometer was characterized at different temperatures and also measurements of the noise levels have been performed. The device shows Josephson quantum interference up to 20 K and the calculated effective area at low temperatures was 0.24 mm{sup 2}. The transport properties of the magnetometer allow determining fundamental materials properties of the MgB{sub 2} thin films, such as the penetration depth.
Lai, Pik-Yin
2017-02-01
Reconstructing network connection topology and interaction strengths solely from measurement of the dynamics of the nodes is a challenging inverse problem of broad applicability in various areas of science and engineering. For a discrete-time step network under noises whose noise-free dynamics is stationary, we derive general analytic results relating the weighted connection matrix of the network to the correlation functions obtained from time-series measurements of the nodes for networks with one-dimensional intrinsic node dynamics. Information about the intrinsic node dynamics and the noise strengths acting on the nodes can also be obtained. Based on these results, we develop a scheme that can reconstruct the above information of the network using only the time-series measurements of node dynamics as input. Reconstruction formulas for higher-dimensional node dynamics are also derived and illustrated with a two-dimensional node dynamics network system. Furthermore, we extend our results and obtain a reconstruction scheme even for the cases when the noise-free dynamics is periodic. We demonstrate that our method can give accurate reconstruction results for weighted directed networks with linear or nonlinear node dynamics of various connection topologies, and with linear or nonlinear couplings.
MgB2 magnetometer with a directly coupled pick-up loop
Portesi, C.; Mijatovic, D.; Veldhuis, D.; Brinkman, A.; Monticone, E.; Gonnelli, R. S.
2006-05-01
In this work, we show the results obtained in the fabrication and characterization of an MgB2 magnetometer with a directly coupled pick-up loop. We used an all in situ technique for fabricating magnesium diboride films, which consists of the co-evaporation of B and Mg by means of an e-gun and a resistive heater respectively. Consequently, we realized the superconducting device, which incorporates two nanobridges as weak links in a superconducting loop. The nanobridges were realized by focused ion beam milling; they were 240 nm wide and had a critical current density of 107 A cm-2. The magnetometer was characterized at different temperatures and also measurements of the noise levels have been performed. The device shows Josephson quantum interference up to 20 K and the calculated effective area at low temperatures was 0.24 mm2. The transport properties of the magnetometer allow determining fundamental materials properties of the MgB2 thin films, such as the penetration depth.
Tre1, a G protein-coupled receptor, directs transepithelial migration of Drosophila germ cells.
Prabhat S Kunwar
2003-12-01
Full Text Available In most organisms, germ cells are formed distant from the somatic part of the gonad and thus have to migrate along and through a variety of tissues to reach the gonad. Transepithelial migration through the posterior midgut (PMG is the first active step during Drosophila germ cell migration. Here we report the identification of a novel G protein-coupled receptor (GPCR, Tre1, that is essential for this migration step. Maternal tre1 RNA is localized to germ cells, and tre1 is required cell autonomously in germ cells. In tre1 mutant embryos, most germ cells do not exit the PMG. The few germ cells that do leave the midgut early migrate normally to the gonad, suggesting that this gene is specifically required for transepithelial migration and that mutant germ cells are still able to recognize other guidance cues. Additionally, inhibiting small Rho GTPases in germ cells affects transepithelial migration, suggesting that Tre1 signals through Rho1. We propose that Tre1 acts in a manner similar to chemokine receptors required during transepithelial migration of leukocytes, implying an evolutionarily conserved mechanism of transepithelial migration. Recently, the chemokine receptor CXCR4 was shown to direct migration in vertebrate germ cells. Thus, germ cells may more generally use GPCR signaling to navigate the embryo toward their target.
A gateway to new physics: direct measurement of the top Yukawa coupling to the Higgs boson
Bruscino, Nello; Wermes, Norbert
The top quark has the largest Yukawa coupling in the Standard Model, is the main contribution to the Higgs mass $m_H$ corrections and defines the evolution of the Higgs effective potential with the energy, together with $m_H$. It can be directly measured through the associated production process $pp \\to t\\bar{t}H$. Two searches for this process are described in this thesis, using data collected with the ATLAS detector at the Large Hadron Collider. The fully hadronic analysis is performed with data corresponding to an integrated luminosity of $20.3\\,\\text{fb}^{-1}$ at a centre-of-mass energy of $\\sqrt{s}=8\\,\\text{TeV}$ and uses a boosted decision tree algorithm to discriminate between signal and background: the dominant multijet background is estimated using a data-driven method. An upper limit of $6.4$ ($5.4$) times the Standard Model cross section is observed (expected) at 95% confidence level and a best-fit value of $1.6 \\pm 2.6$ for the signal strength $\\mu_{t\\bar{t}H}=\\sigma_{t\\bar{t}H}^\\text{obs}/\\sigma...
A Generalized Multiscale Finite Element Method for Poroelasticity Problems I: Linear Problems
Brown, Donald L
2015-01-01
In this paper, we consider the numerical solution of poroelasticity problems that are of Biot type and develop a general algorithm for solving coupled systems. We discuss the challenges associated with mechanics and flow problems in heterogeneous media. The two primary issues being the multiscale nature of the media and the solutions of the fluid and mechanics variables traditionally developed with separate grids and methods. For the numerical solution we develop and implement a Generalized Multiscale Finite Element Method (GMsFEM) that solves problem on a coarse grid by constructing local multiscale basis functions. The procedure begins with construction of multiscale bases for both displacement and pressure in each coarse block. Using a snapshot space and local spectral problems, we construct a basis of reduced dimension. Finally, after multiplying by a multiscale partitions of unity, the multiscale basis is constructed in the offline phase and the coarse grid problem then can be solved for arbitrary forcin...
Lidorikis, Elefterios; Bachlechner, Martina E.; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya
2005-09-01
A hybrid atomistic-continuum simulation approach has been implemented to study strain relaxation in lattice-mismatched Si/Si3N4 nanopixels on a Si(111) substrate. We couple the molecular-dynamics (MD) and finite-element simulation approaches to provide an atomistic description near the interface and a continuum description deep into the substrate, increasing the accessible length scales and greatly reducing the computational cost. The results of the hybrid simulation are validated against full multimillion-atom MD simulations. We find that strain relaxation in Si/Si3N4 nanopixels may occur through the formation of a network of interfacial domain boundaries reminiscent of interfacial misfit dislocations. They result from the nucleation of domains of different interfacial bonding at the free edges and corners of the nanopixel, and subsequent to their creation they propagate inwards. We follow the motion of the domain boundaries and estimate a propagation speed of about ˜2.5×103m/s . The effects of temperature, nanopixel architecture, and film structure on strain relaxation are also investigated. We find: (i) elevated temperature increases the interfacial domain nucleation rates; (ii) a thin compliant Si layer between the film and the substrate plays a beneficial role in partially suppressing strain relaxation; and (iii) additional control over the interface morphology may be achieved by varying the film structure.
Multiscale Simulations Using Particles
Walther, Jens Honore
We are developing particle methods as a general framework for large scale simulations of discrete and continuous systems in science and engineering. The specific application and research areas include: discrete element simulations of granular flow, smoothed particle hydrodynamics and particle vor...... dynamics. Recent work on the thermophoretic motion of water nanodroplets confined inside carbon nanotubes, and multiscale techniques for polar liquids will be discussed in detail at the symposium....... vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...
Lefkimmiatis, Stamatios; Maragos, Petros; Papandreou, George
2009-08-01
We present an improved statistical model for analyzing Poisson processes, with applications to photon-limited imaging. We build on previous work, adopting a multiscale representation of the Poisson process in which the ratios of the underlying Poisson intensities (rates) in adjacent scales are modeled as mixtures of conjugate parametric distributions. Our main contributions include: 1) a rigorous and robust regularized expectation-maximization (EM) algorithm for maximum-likelihood estimation of the rate-ratio density parameters directly from the noisy observed Poisson data (counts); 2) extension of the method to work under a multiscale hidden Markov tree model (HMT) which couples the mixture label assignments in consecutive scales, thus modeling interscale coefficient dependencies in the vicinity of image edges; 3) exploration of a 2-D recursive quad-tree image representation, involving Dirichlet-mixture rate-ratio densities, instead of the conventional separable binary-tree image representation involving beta-mixture rate-ratio densities; and 4) a novel multiscale image representation, which we term Poisson-Haar decomposition, that better models the image edge structure, thus yielding improved performance. Experimental results on standard images with artificially simulated Poisson noise and on real photon-limited images demonstrate the effectiveness of the proposed techniques.
On multi-scale representations of geographic features
WANG Yanhui; LI Xiaojuan; GONG Huili
2006-01-01
This paper contains a review of the development of research on multiple representations compiled from Geographic Information Systems (GIS), including data structure, formalization and storage, and intelligent zoom. A summary is also included of the problems of interconnectivity, consistency maintenance, dynamic query and coexisting updates, as well as a research review of multi-scale databases and related studies. Finally,research directions and foci are proposed for the future design and implementation of multi-scale GIS.
李玉; 赵瑞珍; 张凤珍; 岑翼刚
2015-01-01
由于多尺度小波变换的分块压缩感知算法（MS-BCS-SPL）将每层子带信息进行分块时，使得每层子带中各子块间的采样率相同；但是，当不同的图像子块含有不同的边缘信息时，对这些子块采用相同的采样率会造成资源分配不合理。因此在 MS-BCS-SPL 算法的基础上，利用图像块边缘信息的不同和图像块的方向性，将总的采样率自适应分配给各层子带中的各子块，实现多尺度分块压缩感知的自适应采样。实验结果表明，在不同采样率，尤其较低采样率时，该算法不仅比 MS-BCS-SPL 算法采用了较少的采样数目，节约资源；而且比其可重构较高质量的图像。%Same sampling rate of each sub-block in each sub-band is galned when the multi-scale block compressed sens-ing algorithm (MS-BCS-SPL)subdivides sub-band information of each layer into blocks.But unreasonable resource distri-bution would be caused if image sub-blocks have different edge information.In this thesis,on basis of MS-BCS-SPL,multi-scale block compressed sensing adaptive sampling is realized by distributing total sampling rate into all sub-block of each sub-band,which uses the difference of edge information and directivity of image blocks.First the edge information of image blocks is calculated and the direction is estimated,through which the total sampling rate is assigned adaptively into each block of each sub-band by the characteristics of the wavelet transform,realizing adaptive multi-scale block compressed sensing.It is shown by experiments that compared with algorithm of MS-BCS-SPL,by using adaptive multi-scale block compressed sensing algorithm,with different sampling rate especially lower sampling rate,not only less samples is used and resources are saved,also high quality images are reconstructed and reasonable resources distribution is achieved.
Physics-based hybrid method for multiscale transport in porous media
Yousefzadeh, Mehrdad; Battiato, Ilenia
2017-09-01
Despite advancements in the development of multiscale models for flow and reactive transport in porous media, the accurate, efficient and physics-based coupling of multiple scales in hybrid models remains a major theoretical and computational challenge. Improving the predictivity of macroscale predictions by means of multiscale algorithms relative to classical at-scale models is the primary motivation for the development of multiscale simulators. Yet, very few are the quantitative studies that explicitly address the predictive capability of multiscale coupling algorithms as it is still generally not possible to have a priori estimates of the errors that are present when complex flow processes are modeled. We develop a nonintrusive pore-/continuum-scale hybrid model whose coupling error is bounded by the upscaling error, i.e. we build a predictive tightly coupled multiscale scheme. This is accomplished by slightly enlarging the subdomain where continuum-scale equations are locally invalid and analytically defining physics-based coupling conditions at the interfaces separating the two computational sub-domains, while enforcing state variable and flux continuity. The proposed multiscale coupling approach retains the advantages of domain decomposition approaches, including the use of existing solvers for each subdomain, while it gains flexibility in the choice of the numerical discretization method and maintains the coupling errors bounded by the upscaling error. We implement the coupling in finite volumes and test the proposed method by modeling flow and transport through a reactive channel and past an array of heterogeneously reactive cylinders.
Multiscale phenomena in the Earth's Magnetosphere
Surjalal Sharma, A.
The multiscale phenomena in the Earth's magnetosphere have been studied using data from ground-based and space-borne measurements. The ground-based observations provide data over decades and are suitable for characterizing the inherent nature of the multiscale behavior and for studying the dynamical and statistical features. On the other hand, the spacecraft data provide in-situ observations of the processes. The multipoint measurements by Cluster have provided a new understanding of the plasma processes at microand meso-scales and the cross-scale coupling among them. The role of cross-scale coupling is evident in phenomena such as bursty bulk flows, flux ropes, and reconnection. The characteristic scales of the processes range from electron skin depth to MHD scales and the modeling of these processes need different physical models, such as kinetic, EMHD, Hall MHD, and MHD. The ground-based data have been used to develop models based on techniques of nonlinear science and yield predictive models which can be used for forecasting. These models characterize the magnetospheric dynaics and yield its global and multiscale aspects. The distribution of scales in the magnetosphere is studied using an extensive database of the solar wind and the magnetosphere. The distributions of the waiting times deviate significantly from a power law as well as stretched exponential distributions, and show a scaling with respect to the mean, indicating a limited role of long-term correlations in the magnetospheric dynamics.
Barnes, Brian; Leiter, Kenneth; Becker, Richard; Knap, Jaroslaw; Brennan, John
As part of a multiscale modeling effort, we present progress on a challenge in continuum-scale modeling: the direct incorporation of complex molecular-level processes in the constitutive evaluation. In this initial phase of the research we use a concurrent scale-bridging approach, with a hierarchical multiscale framework running in parallel to couple a particle-based model (the ''lower scale'') computing the equation of state (EOS) to the constitutive response in a finite-element multi-physics simulation (the ''upper scale''). The lower scale simulations of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) use a force-matched coarse-grain model and dissipative particle dynamics methods, and the upper scale simulation is of a Taylor anvil impact experiment. Results emphasize use of adaptive sampling (via dynamic kriging) that accelerates time to solution, and its comparison to fully ''on the fly'' runs. Work towards inclusion of a fully reactive EOS is also discussed.
Lian, Jin; Yüce, Emre; Combrié, Sylvain; De Rossi, Alfredo; Mosk, Allard P
2016-01-01
We measure and analyze reflection spectra of directly coupled systems of waveguides and cavities. The observed Fano lines offer insight in the reflection and coupling processes. We show their shape can be understood and manipulated by varying experimental parameters.
Quan, Yangjian; Xie, Zuowei
2015-03-18
Palladium-catalyzed intramolecular coupling of o-carborane with aromatics via direct cage B-H bond activation has been achieved, leading to the synthesis of a series of o-carborane-functionalized aromatics in high yields with excellent regioselectivity. In addition, the site selectivity can also be tuned by the substituents on cage carbon atom.
Palladium-Catalysed Direct Cross-Coupling of Organolithium Reagents with Aryl and Vinyl Triflates
Vila, Carlos; Hornillos, Valentin; Giannerini, Massimo; Fananas-Mastral, Martin; Feringa, Bernard L.
2014-01-01
Carbon-Carbon Bond Formation Carbon-carbon bond formation by the cross-coupling of highly reactive organolithium reagents is a major challenge. Recently, it was demonstrated that palladium catalysts are able to couple organic halides with various organolithium species under mild conditions in a high
Palladium-Catalysed Direct Cross-Coupling of Organolithium Reagents with Aryl and Vinyl Triflates
Vila, Carlos; Hornillos, Valentin; Giannerini, Massimo; Fananas-Mastral, Martin; Feringa, Bernard L.
2014-01-01
Carbon-Carbon Bond Formation Carbon-carbon bond formation by the cross-coupling of highly reactive organolithium reagents is a major challenge. Recently, it was demonstrated that palladium catalysts are able to couple organic halides with various organolithium species under mild conditions in a high
Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Shao, Yihan; Subotnik, Joseph E.
2014-07-01
Working within the Tamm-Dancoff approximation, we calculate the derivative couplings between time-dependent density-functional theory excited states by assuming that the Kohn-Sham superposition of singly excited determinants represents a true electronic wavefunction. All Pulay terms are included in our derivative coupling expression. The reasonability of our approach can be established by noting that, for closely separated electronic states in the infinite basis limit, our final expression agrees exactly with the Chernyak-Mukamel expression (with transition densities from response theory). Finally, we also validate our approach empirically by analyzing the behavior of the derivative couplings around the {T}1/{T}2 conical intersection of benzaldehyde.
2017-01-01
We report on a template-stripping method for the direct surface patterning of colloidal quantum-dot thin films to produce highly luminescent structures with feature sizes less than 100 nm. Through the careful design of high quality bull’s-eye gratings we can produce strong directional beaming (10° divergence) with up to 6-fold out-coupling enhancement of spontaneous emission in the surface-normal direction. A transition to narrow single-mode lasing is observed in these same structures at thresholds as low as 120 μJ/cm2. In addition, we demonstrate that these structures can be fabricated on flexible substrates. Finally, making use of the size-tunable character of colloidal quantum dots, we demonstrate spectrally selective out-coupling of light from mixed quantum-dot films. Our results provide a straightforward route toward significantly improved optical properties of colloidal quantum-dot assemblies.
King, Jonathan P; Blanchard, John W
2016-01-01
Here we demonstrate that a term in the nuclear spin Hamiltonian, the antisymmetric \\textit{J}-coupling, is fundamentally connected to molecular chirality. We propose and simulate a nuclear magnetic resonance (NMR) experiment to observe this interaction and differentiate between enantiomers without adding any additional chiral agent to the sample. The antisymmetric \\textit{J}-coupling may be observed in the presence of molecular orientation by an external electric field. The opposite parity of the antisymmetric coupling tensor and the molecular electric dipole moment yields a sign change of the observed coupling between enantiomers. We show how this sign change influences the phase of the NMR spectrum and may be used to discriminate between enantiomers.
Towards distributed multiscale computing for the VPH
Hoekstra, A.G.; Coveney, P.
2010-01-01
Multiscale modeling is fundamental to the Virtual Physiological Human (VPH) initiative. Most detailed three-dimensional multiscale models lead to prohibitive computational demands. As a possible solution we present MAPPER, a computational science infrastructure for Distributed Multiscale Computing o
Shigemitsu, Yasuhiro. [Nagasaki Industrial Technology Center, Nagasaki (Japan)
1999-07-01
heoretical researches relating to excitation spectrum of furan have been carried out for many years, and they reveal the problems that should be solved in order to predict highly reliable excitation energy. In general, it is difficult to uniformly obtain highly reliable calculation results for all excitation states since different excitation states show different electronic correlative effects. Means for obtaining the electron states in ground state and excited state and calculating the energy difference thereof is the mainstream of the theoretical calculation of the excitation energy. CASSCF/CASPT 2 developed by Roos et al. is a typical method excellent in quantitative description. Recently, the comparison between direct CCLR and CASSCF/CASPT 2 as examples for calculating the excitation spectrum of furan was carried out by using the same ground function. For Rydberg excitation, CC3, CAS, CASPT 2 show good agreement with each other. (NEDO)
Direct palladium/copper oxidative cross-coupling of α-methylstyrene with acrylates
AL-MAKSOUD; Walid; DJAKOVITCH; Laurent; JAHJAH; Mohamad; PINEL; Catherine
2010-01-01
Fully palladium/copper catalytic oxidative cross-coupling of acrylates with α-methylstyrene was performed in a DMSO/AcOH(1:1) mixture at 60℃ in the air.This improves previous procedures which employed stoichiometric amounts of copper and oxygen.Thus various acrylates were effectively coupled to α-methylstyrene giving the expected compounds in moderate to good yields(44%-65%) as a mixture of E and Z isomers.
Orihara, Hiroshi; Sakurai, Nobutaka; Sasaki, Yuji; Nagaya, Tomoyuki
2017-04-01
To demonstrate coupling between orientation and flow fluctuations in a nematic liquid crystal at equilibrium, we simultaneously observe the intensity change due to director fluctuations under a polarizing microscope and the Brownian motion of a fluorescent particle trapped weakly by optical tweezers. The calculated cross-correlation function of the particle position and the spatial gradient of the intensity is nonzero, clearly indicating the existence of coupling.
Tosi, Guilherme, E-mail: g.tosi@unsw.edu.au; Mohiyaddin, Fahd A.; Morello, Andrea, E-mail: a.morello@unsw.edu.au [Centre for Quantum Computation and Communication Technology, School of Electrical Engineering and Telecommunications, UNSW Australia, Sydney, New South Wales 2052, Australia. (Australia); Huebl, Hans [Walther-Meissner-Institut, Bayerische Akademie der Wissenschaften, D-85748 Garching (Germany); Nanosystems Initiative Munich (NIM), Schellingstr. 4, D-80799 Munich, Germany. (Germany)
2014-08-15
Recent advances in silicon nanofabrication have allowed the manipulation of spin qubits that are extremely isolated from noise sources, being therefore the semiconductor equivalent of single atoms in vacuum. We investigate the possibility of directly coupling an electron spin qubit to a superconducting resonator magnetic vacuum field. By using resonators modified to increase the vacuum magnetic field at the qubit location, and isotopically purified {sup 28}Si substrates, it is possible to achieve coupling rates faster than the single spin dephasing. This opens up new avenues for circuit-quantum electrodynamics with spins, and provides a pathway for dispersive read-out of spin qubits via superconducting resonators.
Guilherme Tosi
2014-08-01
Full Text Available Recent advances in silicon nanofabrication have allowed the manipulation of spin qubits that are extremely isolated from noise sources, being therefore the semiconductor equivalent of single atoms in vacuum. We investigate the possibility of directly coupling an electron spin qubit to a superconducting resonator magnetic vacuum field. By using resonators modified to increase the vacuum magnetic field at the qubit location, and isotopically purified 28Si substrates, it is possible to achieve coupling rates faster than the single spin dephasing. This opens up new avenues for circuit-quantum electrodynamics with spins, and provides a pathway for dispersive read-out of spin qubits via superconducting resonators.
The Goddard multi-scale modeling system with unified physics
W.-K. Tao
2009-08-01
Full Text Available Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1 a cloud-resolving model (CRM, (2 a regional-scale model, the NASA unified Weather Research and Forecasting Model (WRF, and (3 a coupled CRM-GCM (general circulation model, known as the Goddard Multi-scale Modeling Framework or MMF. The same cloud-microphysical processes, long- and short-wave radiative transfer and land-surface processes are applied in all of the models to study explicit cloud-radiation and cloud-surface interactive processes in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator for comparison and validation with NASA high-resolution satellite data.
This paper reviews the development and presents some applications of the multi-scale modeling system, including results from using the multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols. In addition, use of the multi-satellite simulator to identify the strengths and weaknesses of the model-simulated precipitation processes will be discussed as well as future model developments and applications.
Microphysics in Multi-scale Modeling System with Unified Physics
Tao, Wei-Kuo
2012-01-01
Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the microphysics development and its performance for the multi-scale modeling system will be presented.
Study on Key Techniques for Multi-scale Expression of Laneway Traverse Data in MGIS
无
2007-01-01
The multi-scale expression of enormously complicated laneway data requires differentiation of both contents and the way the contents are expressed.To accomplish multi-scale expression laneway data must support multi-scale transformation and have consistent topological relationships.Although the laneway data generated by traverse surveying is non-scale data it is still impossible to construct a multi-scale spatial database directly from it.In this paper an algorithm is presented to first calculate the laneway mid-line to support multi-scale transformation; then to express topological relationships arising from the data structure; and, finally, a laneway spatial database is built and multi-scale expression is achieved using components GIS-SuperMap Objects.The research result is of great significance for improving the efficiency of laneway data storage and updating, for ensuring consistency of laneway data expression and for extending the potential value of a mine spatial database.
Zemp, Martina; Merz, Corina A; Nussbeck, Fridtjof W; Halford, W Kim; Schaer Gmelch, Marcel; Bodenmann, Guy
2017-04-01
The aim of this randomized controlled trial was to examine the efficacy of an evidence-based relationship distress prevention program, the Couples Coping Enhancement Training (CCET), in dual well-earning couples and to investigate whether effects vary by (a) hours of professional contact and (b) mode of delivery (face to face vs. self-learning DVD). N = 159 couples were randomly assigned to 1 of 4 intervention conditions: (1) standard CCET (15 hours face to face), (2) compact CCET (12 hr face to face), (3) short CCET (self-learning DVD + 8 hr face to face), or (4) wait-list control group. Relationship satisfaction and dyadic coping skills were assessed by means of questionnaires completed prior to and 2 weeks after completion of the treatment, at 3-month follow-up, and at 6-month follow-up. Baseline latent change models for 2 factors showed that the CCET enhanced relationship satisfaction and dyadic coping skills in couples relative to the wait-list control group, albeit effects were small. The standard format of the CCET was not more effective than the compact or the short format indicating that reduced amount of professional contact did not decrease the treatment's efficacy and that the self-learning DVD successfully replaced the psycho-educational part of the program. Since dual earner couples usually face multiple stressors, it is a promising finding that they can strengthen their relationship with a relatively short time investment. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
Couple-based interventions for psychopathology: a renewed direction for the field.
Baucom, Donald H; Belus, Jennifer M; Adelman, Caroline B; Fischer, Melanie S; Paprocki, Christine
2014-09-01
This article provides a rationale and empirical support for providing couple-based interventions when one partner in a relationship is experiencing individual psychopathology. Several investigations indicate that relationship distress and psychopathology are associated and reciprocally influence each other, such that the existence of relationship distress predicts the development of subsequent psychopathology and vice versa. Furthermore, findings indicate that for several disorders, individual psychotherapy is less effective if the client is in a distressed relationship. Finally, even within happy relationships, partners often inadvertently behave in ways that maintain or exacerbate symptoms for the other individual. Thus, within both satisfied and distressed relationships, including the partner in a couple-based intervention provides an opportunity to use the partner and the relationship as a resource rather than a stressor for an individual experiencing some form of psychological distress. The authors propose that a promising approach to including the partner in treatment involves (a) integrating intervention principles from empirically supported interventions for individual therapy for specific disorders with (b) knowledge of how to employ relationships to promote individual and dyadic change. Based on this logic, the article includes several examples to demonstrate how couple-based interventions can be focused on a specific type of psychopathology, including encouraging empirical findings for these interventions. The article concludes with recommendations for how clinicians and researchers can adapt their knowledge of couple therapy to assist couples in which one partner is experiencing notable psychological distress or diagnosable psychopathology. © 2014 FPI, Inc.
Coupled multiscale simulation and optimization in nanoelectronics
2015-01-01
Designing complex integrated circuits relies heavily on mathematical methods and calls for suitable simulation and optimization tools. The current design approach involves simulations and optimizations in different physical domains (device, circuit, thermal, electromagnetic) and in a range of electrical engineering disciplines (logic, timing, power, crosstalk, signal integrity, system functionality). COMSON was a Marie Curie Research Training Network created to meet these new scientific and training challenges by (a) developing new descriptive models that take these mutual dependencies into account, (b) combining these models with existing circuit descriptions in new simulation strategies, and (c) developing new optimization techniques that will accommodate new designs. The book presents the main project results in the fields of PDAE modeling and simulation, model order reduction techniques and optimization, based on merging the know-how of three major European semiconductor companies with the combined expe...
Sadiq, Nausheen; Beauchemin, Diane
2014-12-03
Two different approaches were used to improve the capabilities of solid sampling (SS) electrothermal vaporization (ETV) coupled to inductively coupled plasma optical emission spectrometry (ICP-OES) for the direct analysis of powdered rice. Firstly, a cooling step immediately before and after the vaporization step in the ETV temperature program resulted in a much sharper analyte signal peak. Secondly, point-by-point internal standardization with an Ar emission line significantly improved the linearity of calibration curves obtained with an increasing amount of rice flour certified reference material (CRM). Under the optimized conditions, detection limits ranged from 0.01 to 6ngg(-1) in the solid, depending on the element and wavelength selected. The method was validated through the quantitative analysis of corn bran and wheat flour CRMs. Application of the method to the multi-elemental analysis of 4-mg aliquots of real organic long grain rice (white and brown) also gave results for Al, As, Co, Cu, Fe, Mg, Se, Pb and Zn in agreement with those obtained by inductively coupled plasma mass spectrometry following acid digestion of 0.2-g aliquots. As the analysis takes roughly 5min per sample (2.5min for grinding, 0.5-1min for weighing a 4-mg aliquot and 87s for the ETV program), this approach shows great promise for fast screening of food samples.
Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Shao, Yihan [Q-Chem, Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588 (United States)
2014-07-14
Working within the Tamm-Dancoff approximation, we calculate the derivative couplings between time-dependent density-functional theory excited states by assuming that the Kohn-Sham superposition of singly excited determinants represents a true electronic wavefunction. All Pulay terms are included in our derivative coupling expression. The reasonability of our approach can be established by noting that, for closely separated electronic states in the infinite basis limit, our final expression agrees exactly with the Chernyak-Mukamel expression (with transition densities from response theory). Finally, we also validate our approach empirically by analyzing the behavior of the derivative couplings around the T{sub 1}/T{sub 2} conical intersection of benzaldehyde.
Ohata, Masaki; Sakurai, Hiromu; Nishiguchi, Kohei; Utani, Keisuke; Günther, Detlef
2015-09-01
An inductively coupled plasma mass spectrometry (ICPMS) coupled with gas to particle conversion-gas exchange technique was applied to the direct analysis of ultra-trace semiconductor gas in ambient air. The ultra-trace semiconductor gases such as arsine (AsH3) and phosphine (PH3) were converted to particles by reaction with ozone (O3) and ammonia (NH3) gases within a gas to particle conversion device (GPD). The converted particles were directly introduced and measured by ICPMS through a gas exchange device (GED), which could penetrate the particles as well as exchange to Ar from either non-reacted gases such as an air or remaining gases of O3 and NH3. The particle size distribution of converted particles was measured by scanning mobility particle sizer (SMPS) and the results supported the elucidation of particle agglomeration between the particle converted from semiconductor gas and the particle of ammonium nitrate (NH4NO3) which was produced as major particle in GPD. Stable time-resolved signals from AsH3 and PH3 in air were obtained by GPD-GED-ICPMS with continuous gas introduction; however, the slightly larger fluctuation, which could be due to the ionization fluctuation of particles in ICP, was observed compared to that of metal carbonyl gas in Ar introduced directly into ICPMS. The linear regression lines were obtained and the limits of detection (LODs) of 1.5 pL L(-1) and 2.4 nL L(-1) for AsH3 and PH3, respectively, were estimated. Since these LODs revealed sufficiently lower values than the measurement concentrations required from semiconductor industry such as 0.5 nL L(-1) and 30 nL L(-1) for AsH3 and PH3, respectively, the GPD-GED-ICPMS could be useful for direct and high sensitive analysis of ultra-trace semiconductor gas in air.
Uniformity Studies of Scintillator Tiles directly coupled to SiPMs for Imaging Calorimetry
Simon, Frank
2010-01-01
We present a novel geometry of scintillator tiles developed for fiberless coupling to silicon photomultipliers (SiPMs) for applications in highly granular calorimeters. A high degree of uniformity of the tile response over the full active area was achieved by a drilled slit at the coupling position of the photon sensor with 2 mm, 4 mm and 5.5 mm in height, width and depth. Detailed measurements of the response to penetrating electrons were performed for tiles with a lateral size of 3 x 3 cm^2 and thicknesses of 5 mm and 3 mm.
Chen, Chen; Lu, Dan-Feng; Gao, Ran; Qi, Zhi-Mei
2016-05-01
A theoretical method based on the optical reciprocity theorem combined with the Fresnel theory has been developed for the analysis of waveguide-coupled directional emission technique, which is useful for the surface Fluorescence/Raman spectroscopy. The Kretschmann-type waveguide with a molecular dipole located above or inside the core layer serves as the simulation model. The two-dimensional (2D) pattern of power density for the waveguide-coupled emission from the molecular dipole was calculated using the theoretical method. According to the results, with a given waveguide the 2D pattern of power density is highly dependent on both the orientation and position of the dipole. The maximum fraction of power occupied by the waveguide-coupled emission is 87% with the plasmon waveguide and 95% with the resonant mirror. Compared with the dipole emission in free space, the waveguide-coupled directional emission possesses easy collection, which is benefit for the detection of weak Fluorescence and Raman signals. From this point, the theoretical method used here is helpful for design and optimization of Kretschmann-type waveguide structures for high-sensitivity surface monitoring by Fluorescence/Raman spectroscopy.
生物大分子多尺度理论和计算方法∗%Multiscale theory and computational metho d for biomolecule simulations
李文飞; 张建; 王骏; 王炜
2015-01-01
Molecular simulation is one of the most important ways of studying biomolecules. In the last two decades, by com-bining the molecular simulations with experiments, a number of key features of structure and dynamics of biomolecules have been revealed. Traditional molecular simulations often use the all-atom model or some coarse grained models. In practical applications, however, these all-atom models and coarse grained models encounter the bottlenecks in accuracy and eﬃciency, respectively, which hinder their applications to some extent. In recent years, the multiscale models have attracted much attention in the field of biomolecule simulations. In the multiscale model, the atomistic models and coarse grained models are combined together based on the principle of statistical physics, and thus the bottlenecks encountered in the traditional models can be overcome. The currently available multiscale models can be classified into four categories according to the coupling ways between the all-atom model and coarse gained model. They are 1) hybrid resolution multiscale model, 2) parallel coupling multiscale model, 3) one-way coupling multiscale model, and 4) self-learning multiscale model. All these multiscale strategies have achieved great success in certain aspects in the field of biomolecule simulations, including protein folding, aggregation, and functional motions of many kinds of protein machineries. In this review, we briefly introduce the above-mentioned four multiscale strategies, and the examples of their applications. We also discuss the limitations and advantages, as well as the application scopes of these multiscale methods. The directions for future work on improving these multiscale models are also suggested. Finally, a summary and some prospects are presented.%分子模拟是研究生物大分子的重要手段。过去二十年来，人们将分子模拟与实验研究相结合，揭示出生物大分子结构和动力学方面的诸多重要性质。
Somchaipeng, Kerawit; Sporring, Jon; Johansen, Peter
2007-01-01
We propose MultiScale Singularity Trees (MSSTs) as a structure to represent images, and we propose an algorithm for image comparison based on comparing MSSTs. The algorithm is tested on 3 public image databases and compared to 2 state-of-theart methods. We conclude that the computational complexity...... of our algorithm only allows for the comparison of small trees, and that the results of our method are comparable with state-of-the-art using much fewer parameters for image representation....
Multiscale Simulations Using Particles
Walther, Jens Honore
We are developing particle methods as a general framework for large scale simulations of discrete and continuous systems in science and engineering. The specific application and research areas include: discrete element simulations of granular flow, smoothed particle hydrodynamics and particle...... vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...
Yu, Zhang; Zhang, Yufeng
2009-01-30
Three semi-direct sum Lie algebras are constructed, which is an efficient and new way to obtain discrete integrable couplings. As its applications, three discrete integrable couplings associated with the modified KdV lattice equation are worked out. The approach can be used to produce other discrete integrable couplings of the discrete hierarchies of solition equations.
Santos, Ilmar; Watanabe, F.Y.
2004-01-01
journal bearings (HJB). When part of hydrostatic pressure is also dynamically modified by means of hydraulic control systems, one refers to the active lubrication. The main contribution of the present theoretical work is to show that it is possible to reduce cross-coupling stiffness and increase...... the direct damping coefficients by means of the active lubrication, what leads to rotor-bearing systems with larger threshold of stability....
Pericherla, Kasiviswanadharaju; Jha, Amitabh; Khungar, Bharti; Kumar, Anil
2013-09-06
A ligand-free copper-catalyzed tandem azide-alkyne cycloaddition (CuAAC), Ullmann-type C-N coupling, and intramolecular direct arylation has been described. The designed strategy resulted in the synthesis of a novel trazole-fused azaheterocycle framework. The reaction gave good yields (59-77%) of 1,2,3-triazole-fused imidazo[1,2-a]pyridines in a single step.
Kim, Kyoung-Ho; Hwang, Min-Soo; Kim, Ha-Reem; Choi, Jae-Hyuck; No, You-Shin; Park, Hong-Gyu
2016-12-01
Although counter-intuitive features have been observed in non-Hermitian optical systems based on micrometre-sized cavities, the achievement of a simplified but unambiguous approach to enable the efficient access of exceptional points (EPs) and the phase transition to desired lasing modes remains a challenge, particularly in wavelength-scale coupled cavities. Here, we demonstrate coupled photonic-crystal (PhC) nanolasers with asymmetric optical gains, and observe the phase transition of lasing modes at EPs through tuning of the area of graphene cover on one PhC cavity and systematic scanning photoluminescence measurements. As the gain contrast between the two identical PhC cavities exceeds the intercavity coupling, the phase transition occurs from the bonding/anti-bonding lasing modes to the single-amplifying lasing mode, which is confirmed by the experimental measurement of the mode images and the theoretical modelling of coupled cavities with asymmetric gains. In addition, we demonstrate active tuning of EPs by controlling the optical loss of graphene through electrical gating.
Fast, greener and scalable direct coupling of organolithium compounds with no additional solvents
Pinxterhuis, Erik B.; Giannerini, Massimo; Hornillos, Valentin; Feringa, Ben L.
2016-01-01
Although the use of catalytic rather than stoichiometric amounts of metal mediator in cross-coupling reactions between organic halides and organometallic counterparts improves significantly the atom economy and waste production, the use of solvents and stoichiometric generation of main-group byprodu
Palladium-catalysed direct cross-coupling of secondary alkyllithium reagents
Vila, Carlos; Giannerini, Massimo; Hornillos, Valentin; Fananas-Mastral, Martin; Feringa, Ben L.
2014-01-01
Palladium-catalysed cross-coupling of secondary C(sp(3)) organometallic reagents has been a long-standing challenge in organic synthesis, due to the problems associated with undesired isomerisation or the formation of reduction products. Based on our recently developed catalytic C-C bond formation w
Gillip, Jonathan A.; Payne, Jason
2011-01-01
A geophysical characterization of Lollie Levee near Conway, Arkansas, was conducted in February 2011. A capacitively coupled resistivity survey (using Geometric's OhmMapper) was completed along the top and toe of the 6.7-mile levee. Two-dimensional inversions were conducted on the geophysical data. As a quality-control measure, cores and direct push logs were taken at approximately 1-mile intervals along the levee. The capacitively coupled resistivity survey, the coring, and the direct push logs were used to characterize the geologic materials. Comparison of the cores and the direct push log data, along with published resistivity values, indicates that resistivity values of 200 Ohm-meters or greater represent relatively clean sand, with decreasing resistivity values occurring with increasing silt and clay content. The cores indicated that the levee is composed of a heterogeneous mixture of sand, silt, and clay. The capacitively coupled resistivity sections confirm that the levee is composed of a heterogeneous mixture of high and low resistivity materials and show that the composition of the levee varies spatially. The geologic materials underlying the levee vary spatially as a result of the geologic processes that deposited them. In general, the naturally deposited geologic materials underlying the levee contain a greater amount of low resistivity materials in the southern extent of the levee.
Multiscale modeling of complex materials phenomenological, theoretical and computational aspects
Trovalusci, Patrizia
2014-01-01
The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.
Time-parallel multiscale/multiphysics framework
Frantziskonis, G. [University of Arizona; Muralidharan, Krishna [University of Arizona; Deymier, Pierre [University of Arizona; Simunovic, Srdjan [ORNL; Nukala, Phani K [ORNL; Pannala, Sreekanth [ORNL
2009-01-01
We introduce the time-parallel compound wavelet matrix method (tpCWM) for modeling the temporal evolution of multiscale and multiphysics systems. The method couples time parallel (TP) and CWM methods operating at different spatial and temporal scales. We demonstrate the efficiency of our approach on two examples: a chemical reaction kinetic system and a non-linear predator prey system. Our results indicate that the tpCWM technique is capable of accelerating time-to-solution by 2 3-orders of magnitude and is amenable to efficient parallel implementation.
Confinement and structure of electrostatically coupled dust clouds in a direct current plasma-sheath
Nunomura, S.; Ohno, N.; Takamura, S.
1998-10-01
Mechanisms for the confinement and the internal structure of an electrostatically coupled dust cloud formed in a dc glow discharge have been investigated from a comparative viewpoint between experimental observations and a simple model. Two kinds of dust clouds with different internal structures are clearly observed, depending on the dispersion of the size distribution of dust particles. The dust cloud can be trapped only in the plasma-sheath boundary area, corresponding to the potential minimum region determined by gravitational and electrostatic forces in the cathode sheath. No dust particles were found deep inside of the sheath, which is consistent with the analysis because the dust particles may be charged positively due to an extreme reduction of the electron density. The internal structure of the electrostatically coupled dust cloud was found to be arranged so that the total potential energy, including the repulsive Coulomb interaction among negative dust particles, may become minimal.
Conversation, coupling and complexity
Fusaroli, Riccardo; Abney, Drew; Bahrami, Bahador;
We investigate the linguistic co-construction of interpersonal synergies. By applying a measure of coupling between complex systems to an experimentally elicited corpus of joint decision dialogues, we show that interlocutors’ linguistic behavior displays increasing signature of multi-scale coupling......, known as complexity matching, over the course of interaction. Furthermore, we show that stronger coupling corresponds with more effective interaction, as measured by collective task performance....
Multi-scale modelling and simulation in systems biology.
Dada, Joseph O; Mendes, Pedro
2011-02-01
The aim of systems biology is to describe and understand biology at a global scale where biological functions are recognised as a result of complex mechanisms that happen at several scales, from the molecular to the ecosystem. Modelling and simulation are computational tools that are invaluable for description, prediction and understanding these mechanisms in a quantitative and integrative way. Therefore the study of biological functions is greatly aided by multi-scale methods that enable the coupling and simulation of models spanning several spatial and temporal scales. Various methods have been developed for solving multi-scale problems in many scientific disciplines, and are applicable to continuum based modelling techniques, in which the relationship between system properties is expressed with continuous mathematical equations or discrete modelling techniques that are based on individual units to model the heterogeneous microscopic elements such as individuals or cells. In this review, we survey these multi-scale methods and explore their application in systems biology.
Multiscale finite-element method for linear elastic geomechanics
Castelletto, Nicola; Hajibeygi, Hadi; Tchelepi, Hamdi A.
2017-02-01
The demand for accurate and efficient simulation of geomechanical effects is widely increasing in the geoscience community. High resolution characterizations of the mechanical properties of subsurface formations are essential for improving modeling predictions. Such detailed descriptions impose severe computational challenges and motivate the development of multiscale solution strategies. We propose a multiscale solution framework for the geomechanical equilibrium problem of heterogeneous porous media based on the finite-element method. After imposing a coarse-scale grid on the given fine-scale problem, the coarse-scale basis functions are obtained by solving local equilibrium problems within coarse elements. These basis functions form the restriction and prolongation operators used to obtain the coarse-scale system for the displacement-vector. Then, a two-stage preconditioner that couples the multiscale system with a smoother is derived for the iterative solution of the fine-scale linear system. Various numerical experiments are presented to demonstrate accuracy and robustness of the method.
Waveform relaxation for the computational homogenization of multiscale magnetoquasistatic problems
Niyonzima, I.; Geuzaine, C.; Schöps, S.
2016-12-01
This paper proposes the application of the waveform relaxation method to the homogenization of multiscale magnetoquasistatic problems. In the monolithic heterogeneous multiscale method, the nonlinear macroscale problem is solved using the Newton-Raphson scheme. The resolution of many mesoscale problems per Gauß point allows to compute the homogenized constitutive law and its derivative by finite differences. In the proposed approach, the macroscale problem and the mesoscale problems are weakly coupled and solved separately using the finite element method on time intervals for several waveform relaxation iterations. The exchange of information between both problems is still carried out using the heterogeneous multiscale method. However, the partial derivatives can now be evaluated exactly by solving only one mesoscale problem per Gauß point.
Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems
Kovalenko, Andriy
2014-08-01
Cellulose Nanocrysals (CNC) is a renewable biodegradable biopolymer with outstanding mechanical properties made from highly abundant natural source, and therefore is very attractive as reinforcing additive to replace petroleum-based plastics in biocomposite materials, foams, and gels. Large-scale applications of CNC are currently limited due to its low solubility in non-polar organic solvents used in existing polymerization technologies. The solvation properties of CNC can be improved by chemical modification of its surface. Development of effective surface modifications has been rather slow because extensive chemical modifications destabilize the hydrogen bonding network of cellulose and deteriorate the mechanical properties of CNC. We employ predictive multiscale theory, modeling, and simulation to gain a fundamental insight into the effect of CNC surface modifications on hydrogen bonding, CNC crystallinity, solvation thermodynamics, and CNC compatibilization with the existing polymerization technologies, so as to rationally design green nanomaterials with improved solubility in non-polar solvents, controlled liquid crystal ordering and optimized extrusion properties. An essential part of this multiscale modeling approach is the statistical- mechanical 3D-RISM-KH molecular theory of solvation, coupled with quantum mechanics, molecular mechanics, and multistep molecular dynamics simulation. The 3D-RISM-KH theory provides predictive modeling of both polar and non-polar solvents, solvent mixtures, and electrolyte solutions in a wide range of concentrations and thermodynamic states. It properly accounts for effective interactions in solution such as steric effects, hydrophobicity and hydrophilicity, hydrogen bonding, salt bridges, buffer, co-solvent, and successfully predicts solvation effects and processes in bulk liquids, solvation layers at solid surface, and in pockets and other inner spaces of macromolecules and supramolecular assemblies. This methodology
Multiscale Signal Analysis and Modeling
Zayed, Ahmed
2013-01-01
Multiscale Signal Analysis and Modeling presents recent advances in multiscale analysis and modeling using wavelets and other systems. This book also presents applications in digital signal processing using sampling theory and techniques from various function spaces, filter design, feature extraction and classification, signal and image representation/transmission, coding, nonparametric statistical signal processing, and statistical learning theory. This book also: Discusses recently developed signal modeling techniques, such as the multiscale method for complex time series modeling, multiscale positive density estimations, Bayesian Shrinkage Strategies, and algorithms for data adaptive statistics Introduces new sampling algorithms for multidimensional signal processing Provides comprehensive coverage of wavelets with presentations on waveform design and modeling, wavelet analysis of ECG signals and wavelet filters Reviews features extraction and classification algorithms for multiscale signal and image proce...
Weidong Zhou
2016-09-01
Full Text Available In this paper, a reweighted sparse representation algorithm based on noncircular sources is proposed, and the problem of the direction of arrival (DOA estimation for multiple-input multiple-output (MIMO radar with mutual coupling is addressed. Making full use of the special structure of banded symmetric Toeplitz mutual coupling matrices (MCM, the proposed algorithm firstly eliminates the effect of mutual coupling by linear transformation. Then, a reduced dimensional transformation is exploited to reduce the computational complexity of the proposed algorithm. Furthermore, by utilizing the noncircular feature of signals, the new extended received data matrix is formulated to enlarge the array aperture. Finally, based on the new received data, a reweighted matrix is constructed, and the proposed method further designs the joint reweighted sparse representation scheme to achieve the DOA estimation by solving the l 1 -norm constraint minimization problem. The proposed method enlarges the array aperture due to the application of signal noncircularity, and in the presence of mutual coupling, the proposed algorithm provides higher resolution and better angle estimation performance than ESPRIT-like, l 1 -SVD and l 1 -SRDML (sparse representation deterministic maximum likelihood algorithms. Numerical experiment results verify the effectiveness and advantages of the proposed method.
Bodenmann, Guy; Hilpert, Peter; Nussbeck, Fridtjof W; Bradbury, Thomas N
2014-08-01
Although prevention of relationship distress and dissolution has potential to strengthen the well-being of partners and any children they are raising, dissemination of prevention programs can be limited because couples face many barriers to in-person participation. An alternative strategy, providing couples with an instructional DVD, is tested in the present study, in which 330 Caucasian couples (N = 660 participants; mean age: men 41.4 years, women 40.0 years) were randomly assigned to a DVD group without any further support, a DVD group with technical telephone coaching, or a wait-list control group. Couples completed questionnaires at pretest, posttest, and 3 and 6 months after completion of the intervention. Self-report measures of dyadic coping, communication quality, ineffective arguing, and relationship satisfaction were used to test whether the intervention groups improved in comparison with the control group. Women in both intervention groups increased in dyadic coping, reduced conflict behavior, and were more satisfied with their relationship 6 months after the intervention. Effects for men were mixed. Participants with poorer skills reported stronger improvement. Intimate relationships can, within limits, be positively influenced by a self-directed approach. Effective dissemination of principles underlying successful relationships can be facilitated through the use of emerging low-cost tools and technologies.
Rodriguez, S R K; Verschuuren, M A; Gomes, R; Lambert, K; De Geyter, B; Hassinen, A; Van Thourhout, D; Hens, Z; Rivas, J Gomez
2013-01-01
We demonstrate that an array of optical antennas may render a thin layer of randomly oriented semiconductor nanocrystals into an enhanced and highly directional source of polarized light. The array sustains collective plasmonic lattice resonances which are in spectral overlap with the emission of the nanocrystals over narrow angular regions. Consequently, di?fferent photon energies of visible light are enhanced and beamed into def?nite directions.
Wei Da-Xiu; Luo Jun; Yang Xiao-Dong; Sun Xian-Ping; Zeng Xi-Zhi; Liu Mai-Li; Ding Shang-Wu; Zhan Ming-Sheng
2004-01-01
This paper presents a simple scheme for information transmission between two non-directly interactive qubits in an n-qubit system. An example has been realized on a three-qubit nuclear magnetic resonance(NMR) spectrometer quantum computer. The experimental result successfully demonstrates that the feasible measure can also be extended to other quantum logical gates, or other quantum algorithms, where some qubits have no direct interactions in a multi-qubit system.
Dutta, Moumita; Natarajan, Kamaraju; Betal, Soutik; Prasankumar, Rohit P; Bhalla, Amar S; Guo, Ruyan
2017-09-14
Magnetoelastoelectric coupling in an engineered biphasic multiferroic nanocomposite enables a novel magnetic field direction-defined propagation control of terahertz (THz) waves. These core-shell nanoparticles are comprised of a ferromagnetic cobalt ferrite core and a ferroelectric barium titanate shell. An assembly of these nanoparticles, when operated in external magnetic fields, exhibits a controllable amplitude modulation when the magnetic field is applied antiparallel to the THz wave propagation direction; yet the same assembly displays an additional phase modulation when the magnetic field is applied along the propagation direction. While field-induced magnetostriction of the core leads to amplitude modulation, phase modulation is a result of stress-mediated piezoelectricity of the outer ferroelectric shell.
Offeddu, Francesco Giancarlo; Cama, Jordi; Soler, Josep Maria; Putnis, Christine V
2014-01-01
In-situ atomic force microscopy (AFM) experiments were performed to study the overall process of dissolution of common carbonate minerals (calcite and dolomite) and precipitation of gypsum in Na2SO4 and CaSO4 solutions with pH values ranging from 2 to 6 at room temperature (23 ± 1 °C). The dissolution of the carbonate minerals took place at the (104) cleavage surfaces in sulfate-rich solutions undersaturated with respect to gypsum, by the formation of characteristic rhombohedral-shaped etch pits. Rounding of the etch pit corners was observed as solutions approached close-to-equilibrium conditions with respect to calcite. The calculated dissolution rates of calcite at pH 4.8 and 5.6 agreed with the values reported in the literature. When using solutions previously equilibrated with respect to gypsum, gypsum precipitation coupled with calcite dissolution showed short gypsum nucleation induction times. The gypsum precipitate quickly coated the calcite surface, forming arrow-like forms parallel to the crystallographic orientations of the calcite etch pits. Gypsum precipitation coupled with dolomite dissolution was slower than that of calcite, indicating the dissolution rate to be the rate-controlling step. The resulting gypsum coating partially covered the surface during the experimental duration of a few hours.
Theoretical and experimental validation of evacuated tubes directly coupled with solar still
Panchal, H. N.; Thakkar, H.
2016-11-01
Experimental study of evacuated tubes coupled solar still in the climatic conditions of Mehsana, a region of North Gujarat, India during summer and winter climate conditions has been made. Experimental setup was made by authors. Fourteen double-walled hard borosilicate glass tubes have been used. Evacuated tubes were inclined at angle of 45° from horizontal. Outer tubes of evacuated tubes were transparent, inner tubes were coated with a selective coating of Al-Ni/Al compound for better solar radiation absorption and minimum emittance. It has been shown that evacuated tube attachments to the solar still increased the water temperature inside the solar still for increment in the generation of distillate output. Evacuated tubes coupled solar still is not only produce distilled water during sunshine hours, but also off-sunshine hours due to heat storage effect. For the validation of the experimental results, a theoretical model is proposed based on the fundamentals of heat and mass transfer equations for solar still glass cover, water in basin and basin bottom. Two main statistical parameters—root mean square error and mean bias error—were calculated to compare the results of experiments and theoretical analysis. Closed matching of the experimental and theoretical results has been found.
Yang, Haw; Welsher, Kevin
2016-11-15
A system and method for non-invasively tracking a particle in a sample is disclosed. The system includes a 2-photon or confocal laser scanning microscope (LSM) and a particle-holding device coupled to a stage with X-Y and Z position control. The system also includes a tracking module having a tracking excitation laser, X-Y and Z radiation-gathering components configured to detect deviations of the particle in an X-Y and Z directions. The system also includes a processor coupled to the X-Y and Z radiation gathering components, generate control signals configured to drive the stage X-Y and Z position controls to track the movement of the particle. The system may also include a synchronization module configured to generate LSM pixels stamped with stage position and a processing module configured to generate a 3D image showing the 3D trajectory of a particle using the LSM pixels stamped with stage position.
Takeuchi, S; Minoura, H; Shibahara, T; Shen, X; Futamura, N; Toyoda, N
2000-10-01
The objective was to determine the optimal insemination technique in patients undergoing in vitro fertilization (IVF) after failed direct intraperitoneal insemination (DIPI) and the outcome of intracytoplasmic sperm injection (ICSI) in such cases. In case-control studies, 53 couples with unexplained infertility who underwent IVF after four failed DIPI cycles were compared with 75 couples with tubal or endometriosis infertility as controls. Thirty couples with unexplained infertility after failing to conceive with DIPI and conventional IVF who underwent ICSI and 58 couples with male-factor infertility as controls also were compared. Fertilization cleavage, embryo quality, implantation, and pregnancy were compared after IVF and after ICSI. There was a significant difference in fertilization rates after IVF between cases of unexplained infertility after failing to conceive with DIPI (40.4%) and patients with tubal or endometriosis infertility (67.9%). There also was a significant difference in total fertilization failure rates between the two groups (30.4% and 3.9%, respectively). There was a slight but significant difference in numbers of fertilized oocytes after ICSI between patients with low fertilization rate undergoing IVF after failing to conceive DIPI (85.8%) and patients with male factor (90.4%). Total fertilization failure was not observed in these cases. Couples with unexplained infertility after failing to conceive with DIPI show a failed fertilization or a low fertilization rate after IVF. However, they demonstrated a good chance of becoming pregnant after subsequent ICSI, even with statistically significant difference in fertilization rate as compared with male-factor cases.
Kim, Jeong-Uk; Cha, Choong-Hwan; Park, Seon-Hee
2015-12-01
Culture in enriched broth, as well as on a solid medium, is recommended for primary isolation of mycobacteria. With the introduction of liquid mycobacterial culture methods, a substantial workload regarding the identification of culture-recovered mycobacterial species, particularly Mycobacterium tuberculosis complex (MTC), has been imposed on our laboratory. We thus developed a triplex, real-time PCR coupled with pyrosequencing assay that can directly identify mycobacterial species from liquid media, which can reduce the workload. In this assay, real-time PCR simultaneously detects MTC and Mycobacterium xenopi, and amplifies the region of 16S rRNA gene containing hypervariable region A for pyrosequencing analysis; subsequent, pyrosequencing identifies many other nontuberculous mycobacteria. The assay was evaluated using 333 DNA samples directly prepared from liquid media, including 24 reference strains and 309 clinical isolates. Three hundred and twenty-eight (98.5%) of the 333 samples were correctly identified. The remaining five were determined as indeterminate. In conclusion, this coupled assay would be an alternative method for rapid identification of mycobacteria directly from liquid media in a clinical laboratory with a high workload in regions where tuberculosis is endemic.
Multiscale Modeling and Uncertainty Quantification for Nuclear Fuel Performance
Estep, Donald [Colorado State Univ., Fort Collins, CO (United States); El-Azab, Anter [Florida State Univ., Tallahassee, FL (United States); Pernice, Michael [Idaho National Lab. (INL), Idaho Falls, ID (United States); Peterson, John W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Polyakov, Peter [Univ. of Wyoming, Laramie, WY (United States); Tavener, Simon [Colorado State Univ., Fort Collins, CO (United States); Xiu, Dongbin [Purdue Univ., West Lafayette, IN (United States); Univ. of Utah, Salt Lake City, UT (United States)
2017-03-23
In this project, we will address the challenges associated with constructing high fidelity multiscale models of nuclear fuel performance. We (*) propose a novel approach for coupling mesoscale and macroscale models, (*) devise efficient numerical methods for simulating the coupled system, and (*) devise and analyze effective numerical approaches for error and uncertainty quantification for the coupled multiscale system. As an integral part of the project, we will carry out analysis of the effects of upscaling and downscaling, investigate efficient methods for stochastic sensitivity analysis of the individual macroscale and mesoscale models, and carry out a posteriori error analysis for computed results. We will pursue development and implementation of solutions in software used at Idaho National Laboratories on models of interest to the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program.
Direct TLC/MALDI-MS coupling for modified polyamidoamine dendrimers analyses.
Leriche, Emma-Dune; Hubert-Roux, Marie; Grossel, Martin C; Lange, Catherine M; Afonso, Carlos; Loutelier-Bourhis, Corinne
2014-01-15
Polyamidoamine (PAMAM) are synthetic dendrimers which present attractive properties for the biological and biomedical fields, as they proved to be efficient drug and gene carriers. In order to increase their transfection efficiency, chemical modifications of the amino end-groups had been reported. In this work, the synthesis of the ammonia-cored G1(N) PAMAM and the consecutive chemical modification with glycine or phenylalanine amino-acids were monitored using the coupling of thin layer chromatography (TLC) with matrix-assisted laser desorption ionization-mass spectrometry (MALDI-MS). Thus, the monitoring of the PAMAM synthesis included the identification of the by-products such as defective structures of PAMAM dendrimers as well as the study of phenylalanine-grafted PAMAM oligomer distribution. Copyright © 2013 Elsevier B.V. All rights reserved.
An improved direct measurement of leptonic coupling asymmetries with polarized Z bosons
Abe, K; Akimoto, H; Aston, D; Baird, K G; Baltay, C; Band, H R; Barklow, Timothy L; Bauer, J M; Bellodi, G; Berger, R; Blaylock, G; Bogart, J R; Bower, G R; Brau, J E; Breidenbach, M; Bugg, W M; Burke, D; Burnett, T H; Burrows, P N; Calcaterra, A; Cassell, R; Chou, A; Cohn, H O; Coller, J A; Convery, M R; Cook, V; Cowan, R F; Crawford, G; Damerell, C J S; Daoudi, M; De Groot, N; De Sangro, R; Dong, D N; Doser, Michael; Dubois, R; Erofeeva, I; Eschenburg, V; Etzion, E; Fahey, S; Falciai, D; Fernández, J P; Flood, K; Frey, R; Hart, E L; Hasuko, K; Hertzbach, S S; Huffer, M E; Huynh, X; Iwasaki, M; Jackson, D J; Jacques, P; Jaros, J A; Jiang, Z Y; Johnson, A S; Johnson, J R; Kajikawa, R; Kalelkar, M S; Kang, H J; Kofler, R R; Kroeger, R S; Langston, M; Leith, D W G S; Lia, V; Lin, C; Mancinelli, G; Manly, S L; Mantovani, G C; Markiewicz, T W; Maruyama, T; McKemey, A K; Messner, R; Moffeit, K C; Moore, T B; Morii, M; Müller, D; Murzin, V S; Narita, S; Nauenberg, U; Neal, H; Nesom, G; Oishi, N; Onoprienko, D V; Osborne, L S; Panvini, R S; Park, C H; Peruzzi, I; Piccolo, M; Piemontese, L; Plano, R J; Prepost, R; Prescott, C Y; Ratcliff, B N; Reidy, J; Reinertsen, P L; Rochester, L S; Rowson, P C; Russell, J J; Saxton, O H; Schalk, T L; Schumm, B A; Schwiening, J; Serbo, V V; Shapiro, G; Sinev, N B; Snyder, J A; Stängle, H; Stahl, A; Stamer, P E; Steiner, H; Su, D; Suekane, F; Sugiyama, A; Suzuki, S; Swartz, M; Taylor, F E; Thom, J; Torrence, E; Usher, T; Vavra, J; Verdier, R; Wagner, D L; Waite, A P; Walston, S; Weidemann, A W; Weiss, E R; Whitaker, J S; Williams, S H; Willocq, S; Wilson, R J; Wisniewski, W J; Wittlin, J L; Woods, M; Wright, T R; Yamamoto, R K; Yashima, J; Yellin, S J; Young, C C; Yuta, H
2001-01-01
We present final measurements of the Z boson-lepton coupling asymmetry parameters Ae, Amu, and Atau with the complete sample of polarized Z bosons collected by the SLD detector at the SLAC Linear Collider. From the left-right production and decay polar angle asymmetries in leptonic Z decays we measure Ae = 0.1544 +- 0.0060, Amu = 0.142 +- 0.015, and Atau = 0.136 +- 0.015. Combined with our left-right asymmetry measured from hadronic decays, we find Ae = 0.1516 +- 0.0021. Assuming lepton universality, we obtain a combined effective weak mixing angle of sin**2 theta^{eff}_W = 0.23098 +- 0.00026.
Phase-amplitude coupling characteristics in directly modulated quantum dot lasers
Wang, C. [Télécom ParisTech, Ecole Nationale Supérieure des Télécommunications, CNRS LTCI, 75634 Paris Cedex 13 (France); Institut National des Sciences Appliquées, Université Européenne de Bretagne, 35708 Rennes Cedex 7 (France); Osiński, M. [Télécom ParisTech, Ecole Nationale Supérieure des Télécommunications, CNRS LTCI, 75634 Paris Cedex 13 (France); Center for High Technology Materials, University of New Mexico, Albuquerque, New Mexico 87106-4343 (United States); Even, J. [Institut National des Sciences Appliquées, Université Européenne de Bretagne, 35708 Rennes Cedex 7 (France); Grillot, F. [Télécom ParisTech, Ecole Nationale Supérieure des Télécommunications, CNRS LTCI, 75634 Paris Cedex 13 (France)
2014-12-01
We present a semi-analytical model for studying the phase-amplitude coupling (α-factor) in quantum dot (QD) semiconductor lasers, which takes into account the influence of carrier populations in the excited state and in the two-dimensional carrier reservoir on the refractive index change. Calculations of the α-factor based on the amplified spontaneous emission method and on the “FM/AM” technique are both investigated. It is shown that the α-factor of a QD laser strongly depends on the energy separation between the ground state and the off-resonant states. Through band structure engineering, the α-factor can be reduced by enlarging this energy separation.
Bendahl, Lars; Gammelgaard, Bente; Jons, O.;
2001-01-01
limits of 20 and 1 ng L-1 were obtained for Se-82 and Rh-103, respectively, at sample uptake rates of 10-30 muL min(-1), based on three times the standard deviation of blank solution (3 sigma (b), n = 10). The nebulizer was used as part of the interface for coupling of CE with ICP-MS and applied...... limits were in the sub mug Se L-1 range, corresponding to absolute detection limits in the range 25-125 fg selenium. Repeatability (n = 6) expressed as relative standard deviations with respect to migration times, peak heights and peak areas were better than 1.6, 6.7 and 6.0%, respectively...
Du, Yinchang, E-mail: ycdu@mail.ustc.edu.cn [Modern Physics Department, University of Science and Technology of China, Hefei, Anhui 230026 (China); Max-Planck Institute for Extraterrestrial Physics, D-85748 Garching (Germany); Li, Yangfang [Max-Planck Institute for Extraterrestrial Physics, D-85748 Garching (Germany); Cao, Jinxiang; Liu, Yu; Wang, Jian; Zheng, Zhe [Modern Physics Department, University of Science and Technology of China, Hefei, Anhui 230026 (China)
2014-06-15
In this paper, we propose a method to get more homogeneous plasma in the geometrically asymmetric capacitive coupled plasma (CCP) discharge. The dielectric barrier discharge (DBD) is used for the auxiliary discharge system to improve the homogeneity of the geometrically asymmetric CCP discharge. The single Langmuir probe measurement shows that the DBD can increase the electron density in the low density volume, where the DBD electrodes are mounted, when the pressure is higher than 5 Pa. By this manner, we are able to improve the homogeneity of the plasma production and increase the overall density in the target volume. At last, the finite element simulation results show that the DC bias, applied to the DBD electrodes, can increase the homogeneity of the electron density in the CCP discharge. The simulation results show a good agreement with the experiment results.
Direct transitions from high-K isomers to low-K bands -- {gamma} softness or coriolis coupling
Shimizu, Yoshifumi R.; Narimatsu, Kanako; Ohtsubo, Shin-Ichi [Kyushu Univ., Fukuoka (Japan)] [and others
1996-12-31
Recent measurements of direct transitions from high-K isomers to low-K bands reveal severe break-down of the K-selection rule and pose the problem of how to understand the mechanism of such K-violation. The authors recent systematic calculations by using a simple {gamma}-tunneling model reproduced many of the observed hindrances, indicating the importance of the {gamma} softness. However, there are some data which cannot be explained in terms of the {gamma}-degree of freedom. In this talk, the authors also discuss the results of conventional Coriolis coupling calculations, which is considered to be another important mechanism.
Combinatorial Hopf algebraic description of the multiscale renormalization in quantum field theory
Krajewski, Thomas; Tanasa, Adrian
2012-01-01
We define in this paper several Hopf algebras describing the combinatorics of the so-called multi-scale renormalization in quantum field theory. After a brief recall of the main mathematical features of multi-scale renormalization, we define assigned graphs, that are graphs with appropriate decorations for the multi-scale framework. We then define Hopf algebras on these assigned graphs and on the Gallavotti-Nicol\\`o trees, particular class of trees encoding the supplementary informations of the assigned graphs. Several morphisms between these combinatorial Hopf algebras and the Connes-Kreimer algebra are given. Finally, scale dependent couplings are analyzed via this combinatorial algebraic setting.
A Multiscale Model for Virus Capsid Dynamics
Changjun Chen
2010-01-01
Full Text Available Viruses are infectious agents that can cause epidemics and pandemics. The understanding of virus formation, evolution, stability, and interaction with host cells is of great importance to the scientific community and public health. Typically, a virus complex in association with its aquatic environment poses a fabulous challenge to theoretical description and prediction. In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. In our approach, the differential geometry theory of surfaces and geometric measure theory are employed as a natural means to couple the macroscopic continuum domain of the fluid mechanical description of the aquatic environment from the microscopic discrete domain of the atomistic description of the biomolecule. A multiscale action functional is constructed as a unified framework to derive the governing equations for the dynamics of different scales. We show that the classical Navier-Stokes equation for the fluid dynamics and Newton's equation for the molecular dynamics can be derived from the least action principle. These equations are coupled through the continuum-discrete interface whose dynamics is governed by potential driven geometric flows.
Multiscale Cloud System Modeling
Tao, Wei-Kuo; Moncrieff, Mitchell W.
2009-01-01
The central theme of this paper is to describe how cloud system resolving models (CRMs) of grid spacing approximately 1 km have been applied to various important problems in atmospheric science across a wide range of spatial and temporal scales and how these applications relate to other modeling approaches. A long-standing problem concerns the representation of organized precipitating convective cloud systems in weather and climate models. Since CRMs resolve the mesoscale to large scales of motion (i.e., 10 km to global) they explicitly address the cloud system problem. By explicitly representing organized convection, CRMs bypass restrictive assumptions associated with convective parameterization such as the scale gap between cumulus and large-scale motion. Dynamical models provide insight into the physical mechanisms involved with scale interaction and convective organization. Multiscale CRMs simulate convective cloud systems in computational domains up to global and have been applied in place of contemporary convective parameterizations in global models. Multiscale CRMs pose a new challenge for model validation, which is met in an integrated approach involving CRMs, operational prediction systems, observational measurements, and dynamical models in a new international project: the Year of Tropical Convection, which has an emphasis on organized tropical convection and its global effects.
MULTISCALE PHENOMENA IN MATERIALS
A. BISHOP
2000-09-01
This project developed and supported a technology base in nonequilibrium phenomena underpinning fundamental issues in condensed matter and materials science, and applied this technology to selected problems. In this way the increasingly sophisticated synthesis and characterization available for classes of complex electronic and structural materials provided a testbed for nonlinear science, while nonlinear and nonequilibrium techniques helped advance our understanding of the scientific principles underlying the control of material microstructure, their evolution, fundamental to macroscopic functionalities. The project focused on overlapping areas of emerging thrusts and programs in the Los Alamos materials community for which nonlinear and nonequilibrium approaches will have decisive roles and where productive teamwork among elements of modeling, simulations, synthesis, characterization and applications could be anticipated--particularly multiscale and nonequilibrium phenomena, and complex matter in and between fields of soft, hard and biomimetic materials. Principal topics were: (i) Complex organic and inorganic electronic materials, including hard, soft and biomimetic materials, self-assembly processes and photophysics; (ii) Microstructure and evolution in multiscale and hierarchical materials, including dynamic fracture and friction, dislocation and large-scale deformation, metastability, and inhomogeneity; and (iii) Equilibrium and nonequilibrium phases and phase transformations, emphasizing competing interactions, frustration, landscapes, glassy and stochastic dynamics, and energy focusing.
Lehnertz, Klaus
2016-01-01
Inferring strength and direction of interactions from electroencephalographic (EEG) recordings is of crucial importance to improve our understanding of dynamical interdependencies underlying various physiologic and pathophysiologic conditions in the human epileptic brain. We here use approaches from symbolic analysis to investigate---in a time-resolved manner---weighted and directed, short- to long-ranged interactions between various brain regions constituting the epileptic network. Our observations point to complex spatial-temporal interdependencies underlying the epileptic process and their role in the generation of epileptic seizures, despite the massive reduction of the complex information content of multi-day, multi-channel EEG recordings through symbolisation. We discuss limitations and potential future improvements of this approach.
Junfeng Feng; Chungyun Hse; Zhongzhi Yang; Kui Wang; Jianchun Jiang; Junming Xu
2017-01-01
Directional microwave-assisted liquefaction and stepwise extraction are introduced for producing platform chemicals: aromatics and monosaccharides. When sulfuric acid was used as a catalyst, a 45% monosaccharides yield and a 29% aromatics yield were obtained from bamboo with 0.3 g catalyst per 18 g methanol and 2 g bamboo at 160 Â°C with 10 min. Approximately 78â86 wt%...
Montaser, Akbar; Westphal, Craig S.; Kahen, Kaveh; Rutkowski, William F.; Acon, Billy W.
2006-12-05
A nebulizer adapted for adjusting a position of a capillary tube contained within the nebulizer is provided. The nebulizer includes an elongated tubular shell having a gas input port and a gas output port, a capillary adjustment adapter for displacing the capillary tube in a lateral direction via a rotational force, and a connector for connecting the elongated tubular shell, the capillary adjustment adapter and the capillary tube.
Optical properties of the direct-coupled Y-branch filters by using photonic crystal slabs
Tian Jie; Ren Cheng; Feng Shuai; Liu Ya-Zhao; Tao Hai-Hua; Li Zhi-Yuan; Cheng Bing-Ying; Zhang Dao-Zhong; Jin Ai-Zi
2006-01-01
We fabricated a new type of two-dimensional photonic crystal slab filter. The resonant cavities were directly put into the waveguide arms. The optical transmissions of the filters were measured and the results show that the optimized two-channel filters give good intensity distribution at the output ports of the waveguide. A minimum wavelength spacing of 5 nm of the filter outputs is realized by accurately controlling the size of the resonant cavities.
Xu Xiaomin [Department of Chemistry, Xixi Campus, Zhejiang University, Hangzhou, 310028 (China); Zhejiang Provincial Center for Disease Control and Prevention, Hangzhou, 310051 (China); Ren Yiping [Zhejiang Provincial Center for Disease Control and Prevention, Hangzhou, 310051 (China); Zhu Yun [Xinjiang Uygur Autonomous Region Center for Disease Control and Prevention, Urumchi, 830002 (China); Cai Zengxuan; Han Jianlong; Huang Baifen [Zhejiang Provincial Center for Disease Control and Prevention, Hangzhou, 310051 (China); Zhu Yan, E-mail: zhuyan@zju.edu.cn [Department of Chemistry, Xixi Campus, Zhejiang University, Hangzhou, 310028 (China)
2009-09-14
A coupled capillary column system was developed for the qualitative and quantitative determination of melamine with isotope internal standard in dairy products by gas chromatography/mass spectrometry (GC/MS) without derivatization. A 30 m of DB-5ms ((5%-phenyl)-methylpolysiloxane, 0.25 mm i.d., 0.25 {mu}m df) coupled with a 1.5 m of Innowax (polyethylene glycol, 0.32 mm i.d., 0.25 {mu}m df) by a quartz capillary column connector was introduced as separation column. Three advantages were discussed for the coupled system. The sample was fortified with a ring-labeled {sup 13}C{sub 3}{sup 15}N{sub 3}-melamine as an isotope internal standard and extracted by 1% of trichloroacetic acid aqueous solution. 2.2% of lead acetate solution was then added to deposit protein in the sample matrix. After purification by cation exchange cartridge, the sample solution was directly injected and detected by GC/MS. A six-point calibration curve ranging from 0.05 to 2 mg kg{sup -1} of melamine in sample was used to establish instrument response. The recovery was 93.9-102% with relative standard deviation from 3.1 to 8.7% when isotope internal standard used. The calculated method detection limit was 0.01 mg kg{sup -1}.
König, Carolin; Schlüter, Nicolas; Neugebauer, Johannes
2013-01-01
In subsystem time-dependent density functional theory (TDDFT) [J. Neugebauer, J. Chem. Phys. 126, 134116 (2007), 10.1063/1.2713754] localized excitations are used to calculate delocalized excitations in large chromophore aggregates. We have extended this formalism to allow for the Tamm-Dancoff approximation (TDA). The resulting response equations have a form similar to a perturbative configuration interaction singles (CIS) approach. Thus, the inter-subsystem matrix elements in subsystem TDA can, in contrast to the full subsystem-TDDFT case, directly be interpreted as exciton coupling matrix elements. Here, we present the underlying theory of subsystem TDDFT within the TDA as well as first applications. Since for some classes of pigments, such as linear polyenes and carotenoids, TDA has been reported to perform better than full TDDFT, we also report applications of this formalism to exciton couplings in dimers of such pigments and in mixed bacteriochlorophyll-carotenoid systems. The improved description of the exciton couplings can be traced back to a more balanced description of the involved local excitations.
Direct coupling between charge current and spin polarization by extrinsic mechanisms in graphene
Huang, Chunli; Chong, Y. D.; Cazalilla, Miguel A.
2016-08-01
Spintronics—the all-electrical control of the electron spin for quantum or classical information storage and processing—is one of the most promising applications of the two-dimensional material graphene. Although pristine graphene has negligible spin-orbit coupling (SOC), both theory and experiment suggest that SOC in graphene can be enhanced by extrinsic means, such as functionalization by adatom impurities. We present a theory of transport in graphene that accounts for the spin-coherent dynamics of the carriers, including hitherto-neglected spin precession processes taking place during resonant scattering in the dilute impurity limit. We uncover an "anisotropic spin precession" (ASP) scattering process in graphene, which contributes a large current-induced spin polarization and modifies the standard spin Hall effect. ASP scattering arises from two dimensionality and extrinsic SOC, and apart from graphene, it can be present in other 2D materials or in the surface states of 3D materials with a fluctuating SOC. Our theory also yields a comprehensive description of the spin relaxation mechanisms present in adatom-decorated graphene, including Elliot-Yafet and D'yakonov-Perel relaxation rates, the latter of which can become an amplification process in a certain parameter regime of the SOC disorder potential. Our work provides theoretical foundations for designing future graphene-based integrated spintronic devices.
Combinatorial stress responses: direct coupling of two major stress responses in Escherichia coli
Daniel R. Brown
2014-09-01
Full Text Available Nitrogen is an essential element for all life, and this is no different for the bacterial cell. Numerous cellular macromolecules contain nitrogen, including proteins, nucleic acids and cell wall components. In Escherichia coli and related bacteria, the nitrogen stress (Ntr response allows cells to rapidly sense and adapt to nitrogen limitation by scavenging for alternative nitrogen sources through the transcriptional activation of transport systems and catabolic and biosynthetic operons by the global transcriptional regulator NtrC. Nitrogen-starved bacterial cells also synthesize the (pppGpp effector molecules of a second global bacterial stress response - the stringent response. Recently, we showed that the transcription of relA, the gene which encodes the major (pppGpp synthetase in E. coli, is activated by NtrC during nitrogen starvation. Our results revealed that in E. coli and related bacteria, NtrC functions in combinatorial stress and serves to couple two major stress responses, the Ntr response and stringent response.
Carrion, Nereida E-mail: ncarrion@strix.ciens.ucv.ve; Murillo, Miguel; Montiel, Edie; Diaz, Dorfe
2003-08-15
A study was conducted to evaluate the performance of a new direct hydride generation nebulizer system for determination of hydride forming elements by inductively coupled plasma optical emission spectroscopy. This system was designed and optimized to obtain the highest sensitivity. Several experimental designs were used for these purposes. To optimize the individual parameters of the system, and to study the interaction between these parameters for both direct hydride generation nebulizers, a central composite orthogonal design with eight factors was set up. Significant behavioral differences were observed in the two direct hydride generation nebulizers studied. Finally, a 70 {mu}m gas orifice nebulizer exhibits a better detection limit than the 120 {mu}m nebulizer. Generally, for determination of selenium, this new direct hydride generation nebulizer system exhibits a linear dynamic range and detection limit (3{sigma}b) of 3 orders of magnitude and 0.2 {mu}g l{sup -1} for selenium, respectively. This new hydride generator is much simpler system that conventional hydride generation systems, which does not need to be changed to work in normal mode with the inductively coupled plasma, since this system may be used for hydride forming elements and those that do not form them. It produces a rapid response with low memory effect. It reduces the interference level of Ni, Co and Cu to 600, 500 and 5 mg l{sup -1}, respectively. The accuracy of the system was verified by the determination of selenium in several standard reference materials of ambient, food and clinical sample matrices. No statistically significant differences (95 confidence level) were obtained between our method and the reference values.
Direct observation of surface mode excitation and slow light coupling in photonic crystal waveguides
Volkov, V.S.; Bozhevolnyi, Sergey I.; Frandsen, Lars Hagedorn;
2007-01-01
are obtained for light at telecom wavelengths propagating in the PhCW, demonstrating directly, for the first time to our knowledge, drastic widening of the PhCW guided mode in the slow-light regime and excitation of surface waves at the PhCW interface along with their feeding into the guided mode......A scanning near-field optical microscope (SNOM) is used to systematically study the properties of guided modes in linear and slow-light regimes of silicon-on-insulator (SOI)-based photonic crystal waveguides (PhCWs) with different terminations of the photonic lattice. High quality SNOM images...
Characterization of directly coupled YBa{sub 2}Cu{sub 3}O{sub 7-x} SQUID magnetometers
Guillaume, Alexander; Beister, Verena; Scholtyssek, Jan M.; Ludwig, Frank; Schilling, Meinhard [Institut fuer Elektrische Messtechnik und Grundlagen der Elektrotechnik, Technische Universitaet Braunschweig, Hans-Sommer-Str. 66, D-38106 Braunschweig, Germany. (Germany)
2012-07-01
Superconducting Quantum Interference Devices (SQUIDs) can be employed as highly sensitive magnetic field sensors in a variety of applications such as magnetoencephalography or magnetic nanoparticle detection. We fabricated SQUIDs from the high-T{sub c} superconductor YBa{sub 2}Cu{sub 3}O{sub 7-x} on symmetric SrTiO{sub 3}-bicrystal substrates by pulsed laser deposition and argon ion etching. The layout consists of two directly coupled magnetometers on one chip which are attached to a rectangular pickup loop. The measurements were carried out in a liquid nitrogen container using a variable temperature insert. The temperature at the magnetically shielded sample holder can be adjusted between 77 K and 100 K. Here, we present measurements of the I-V-curves under the influence of a magnetic field for different sample temperatures. Also, the influence of the temperature and the influence of the bias current on the V-{Phi}-curves were investigated. From these measurements, parameters of the SQUID were calculated and compared to the theoretical estimations. Additionally, noise spectra were recorded for different bias reversal frequencies by using a direct-coupled flux-locked loop electronics from Magnicon GmbH.
Wind speed and direction predictions by WRF and WindSim coupling over Nygårdsfjell
Bilal, M.; Solbakken, K.; Birkelund, Y.
2016-09-01
In this study, the performance of the mesoscale meteorological Weather Research and Forecast (WRF) model coupled with the microscale computational fluid dynamics based model WindSim is investigated and compared to the performance of WRF alone. The two model set-ups, WRF and WRF-WindSim, have been tested on three high-wind events in February, June and October, over a complex terrain at the Nygårdsfjell wind park in Norway. The wind speeds and wind directions are compared to measurements and the results are evaluated based on root mean square error, bias and standard deviation error. Both model set-ups are able to reproduce the high wind events. For the winter month February the WRF-WindSim performed better than WRF alone, with the root mean square error (RMSE) decreasing from 2.86 to 2.38 and standard deviation error (STDE) decreasing from 2.69 to 2.37. For the two other months no such improvements were found. The best model performance was found in October where the WRF had a RMSE of 1.76 and STDE of 1.68. For June, both model set-ups underestimate the wind speed. Overall, the adopted coupling method of using WRF outputs as virtual climatology for coupling WRF and WindSim did not offer a significant improvement over the complex terrain of Nygårdsfjell. However, the proposed coupling method offers high degree of simplicity when it comes to its application. Further testing is recommended over larger number of test cases to make a significant conclusion.
Plimley, Brian, E-mail: brian.plimley@gmail.com [Nuclear Engineering Department, University of California, Berkeley, CA (United States); Coffer, Amy; Zhang, Yigong [Nuclear Engineering Department, University of California, Berkeley, CA (United States); Vetter, Kai [Nuclear Engineering Department, University of California, Berkeley, CA (United States); Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States)
2016-08-11
Previously, scientific silicon charge-coupled devices (CCDs) with 10.5-μm pixel pitch and a thick (650 μm), fully depleted bulk have been used to measure gamma-ray-induced fast electrons and demonstrate electron track Compton imaging. A model of the response of this CCD was also developed and benchmarked to experiment using Monte Carlo electron tracks. We now examine the trade-off in pixel pitch and electronic noise. We extend our CCD response model to different pixel pitch and readout noise per pixel, including pixel pitch of 2.5 μm, 5 μm, 10.5 μm, 20 μm, and 40 μm, and readout noise from 0 eV/pixel to 2 keV/pixel for 10.5 μm pixel pitch. The CCD images generated by this model using simulated electron tracks are processed by our trajectory reconstruction algorithm. The performance of the reconstruction algorithm defines the expected angular sensitivity as a function of electron energy, CCD pixel pitch, and readout noise per pixel. Results show that our existing pixel pitch of 10.5 μm is near optimal for our approach, because smaller pixels add little new information but are subject to greater statistical noise. In addition, we measured the readout noise per pixel for two different device temperatures in order to estimate the effect of temperature on the reconstruction algorithm performance, although the readout is not optimized for higher temperatures. The noise in our device at 240 K increases the FWHM of angular measurement error by no more than a factor of 2, from 26° to 49° FWHM for electrons between 425 keV and 480 keV. Therefore, a CCD could be used for electron-track-based imaging in a Peltier-cooled device.
Plimley, Brian; Coffer, Amy; Zhang, Yigong; Vetter, Kai
2016-08-01
Previously, scientific silicon charge-coupled devices (CCDs) with 10.5-μm pixel pitch and a thick (650 μm), fully depleted bulk have been used to measure gamma-ray-induced fast electrons and demonstrate electron track Compton imaging. A model of the response of this CCD was also developed and benchmarked to experiment using Monte Carlo electron tracks. We now examine the trade-off in pixel pitch and electronic noise. We extend our CCD response model to different pixel pitch and readout noise per pixel, including pixel pitch of 2.5 μm, 5 μm, 10.5 μm, 20 μm, and 40 μm, and readout noise from 0 eV/pixel to 2 keV/pixel for 10.5 μm pixel pitch. The CCD images generated by this model using simulated electron tracks are processed by our trajectory reconstruction algorithm. The performance of the reconstruction algorithm defines the expected angular sensitivity as a function of electron energy, CCD pixel pitch, and readout noise per pixel. Results show that our existing pixel pitch of 10.5 μm is near optimal for our approach, because smaller pixels add little new information but are subject to greater statistical noise. In addition, we measured the readout noise per pixel for two different device temperatures in order to estimate the effect of temperature on the reconstruction algorithm performance, although the readout is not optimized for higher temperatures. The noise in our device at 240 K increases the FWHM of angular measurement error by no more than a factor of 2, from 26° to 49° FWHM for electrons between 425 keV and 480 keV. Therefore, a CCD could be used for electron-track-based imaging in a Peltier-cooled device.
Multiscale modeling of proteins.
Tozzini, Valentina
2010-02-16
The activity within a living cell is based on a complex network of interactions among biomolecules, exchanging information and energy through biochemical processes. These events occur on different scales, from the nano- to the macroscale, spanning about 10 orders of magnitude in the space domain and 15 orders of magnitude in the time domain. Consequently, many different modeling techniques, each proper for a particular time or space scale, are commonly used. In addition, a single process often spans more than a single time or space scale. Thus, the necessity arises for combining the modeling techniques in multiscale approaches. In this Account, I first review the different modeling methods for bio-systems, from quantum mechanics to the coarse-grained and continuum-like descriptions, passing through the atomistic force field simulations. Special attention is devoted to their combination in different possible multiscale approaches and to the questions and problems related to their coherent matching in the space and time domains. These aspects are often considered secondary, but in fact, they have primary relevance when the aim is the coherent and complete description of bioprocesses. Subsequently, applications are illustrated by means of two paradigmatic examples: (i) the green fluorescent protein (GFP) family and (ii) the proteins involved in the human immunodeficiency virus (HIV) replication cycle. The GFPs are currently one of the most frequently used markers for monitoring protein trafficking within living cells; nanobiotechnology and cell biology strongly rely on their use in fluorescence microscopy techniques. A detailed knowledge of the actions of the virus-specific enzymes of HIV (specifically HIV protease and integrase) is necessary to study novel therapeutic strategies against this disease. Thus, the insight accumulated over years of intense study is an excellent framework for this Account. The foremost relevance of these two biomolecular systems was
Vogt, Thomas; Bauer, Daniela; Nennstiel, David; Otto, Matthias
2015-10-20
A new analytical method for direct determination of total oxygen contents in eight coal samples of the Argonne Premium Coal (APC) series and in the NIST SRM 1632d is presented. The development of a suitable calibration procedure, optimization of measurement conditions, and the application of a tailored data processing for handling of plasma effects and high blanks enable the quantification of oxygen simultaneously with other trace, minor, or major elements in whole coal samples by means of electrothermal vaporization inductively coupled plasma optical emission spectrometry (ETV-ICP OES). For comparison, the oxygen contents were determined by a direct oxygen analyzer. The obtained oxygen values of the APC and the reference material NIST SRM 1632d were compared to data in the literature. The precision of the ETV-ICP OES was within ±3.5%, and the recovery better than 92%. With this good accuracy, the developed direct solid sampling method ETV-ICP OES is well suited for the fast determination of oxygen in coals, varying in rank from lignite to semianthracite, in a content range of about 100 ppm up to 27% using 1.5 mg sample weight. This direct analysis method represents an accurate, advantageous alternative to currently used methods for estimation of total oxygen contents in coals.
Conformal-Based Surface Morphing and Multi-Scale Representation
Ka Chun Lam
2014-05-01
Full Text Available This paper presents two algorithms, based on conformal geometry, for the multi-scale representations of geometric shapes and surface morphing. A multi-scale surface representation aims to describe a 3D shape at different levels of geometric detail, which allows analyzing or editing surfaces at the global or local scales effectively. Surface morphing refers to the process of interpolating between two geometric shapes, which has been widely applied to estimate or analyze deformations in computer graphics, computer vision and medical imaging. In this work, we propose two geometric models for surface morphing and multi-scale representation for 3D surfaces. The basic idea is to represent a 3D surface by its mean curvature function, H, and conformal factor function λ, which uniquely determine the geometry of the surface according to Riemann surface theory. Once we have the (λ, H parameterization of the surface, post-processing of the surface can be done directly on the conformal parameter domain. In particular, the problem of multi-scale representations of shapes can be reduced to the signal filtering on the λ and H parameters. On the other hand, the surface morphing problem can be transformed to an interpolation process of two sets of (λ, H parameters. We test the proposed algorithms on 3D human face data and MRI-derived brain surfaces. Experimental results show that our proposed methods can effectively obtain multi-scale surface representations and give natural surface morphing results.
Betzel, Richard F
2016-01-01
The network architecture of the human brain has become a feature of increasing interest to the neuroscientific community, largely because of its potential to illuminate human cognition, its variation over development and aging, and its alteration in disease or injury. Traditional tools and approaches to study this architecture have largely focused on single scales -- of topology, time, and space. Expanding beyond this narrow view, we focus this review on pertinent questions and novel methodological advances for the multi-scale brain. We separate our exposition into content related to multi-scale topological structure, multi-scale temporal structure, and multi-scale spatial structure. In each case, we recount empirical evidence for such structures, survey network-based methodological approaches to reveal these structures, and outline current frontiers and open questions. Although predominantly peppered with examples from human neuroimaging, we hope that this account will offer an accessible guide to any neuros...
An Interface for the Direct Coupling of Small Liquid Samples to AMS.
Ognibene, T J; Thomas, A T; Daley, P F; Bench, G; Turteltaub, K W
2015-10-15
We describe the moving wire interface attached to the 1-MV AMS system at LLNL's Center for Accelerator Mass Spectrometry for the analysis of nonvolatile liquid samples as either discrete drops or from the direct output of biochemical separatory instrumentation, such as high-performance liquid chromatography. Discrete samples containing at least a few 10s of nanograms of carbon and as little as 50 zmol (14)C can be measured with a 3-5% precision in a few minutes. The dynamic range of our system spans approximately 3 orders in magnitude. Sample to sample memory is minimized by the use of fresh targets for each discrete sample or by minimizing the amount of carbon present in a peak generated by an HPLC containing a significant amount of (14)C. Liquid Sample AMS provides a new technology to expand our biomedical AMS program by enabling the capability to measure low-level biochemicals in extremely small samples that would otherwise be inaccessible.
Test Results From a Direct Drive Gas Reactor Simulator Coupled to a Brayton Power Conversion Unit
Hervol, David S.; Briggs, Maxwell H.; Owen, Albert K.; Bragg-Sitton, Shannon M.
2009-01-01
The Brayton Power Conversion Unit (BPCU) located at NASA Glenn Research Center (GRC) in Cleveland, OH is a closed cycle system incorporating a turboaltemator, recuperator, and gas cooler connected by gas ducts to an external gas heater. For this series of tests, the BPCU was modified by replacing the gas heater with the Direct Drive Gas heater or DOG. The DOG uses electric resistance heaters to simulate a fast spectrum nuclear reactor similar to those proposed for space power applications. The combined system thermal transient behavior was the focus of these tests. The BPCU was operated at various steady state points. At each point it was subjected to transient changes involving shaft rotational speed or DOG electrical input. This paper outlines the changes made to the test unit and describes the testing that took place along with the test results.
Eriksson, B M; Persson, B A; Wikström, M
1990-04-27
An automated column-switching system for determination of vanillylmandelic acid in urine is described. The liquid chromatographic system was composed of two separation columns with different selectivity properties, an octadecyl column coated with tributyl phosphate as stationary liquid phase and a silica-based anion exchanger. Urine samples were injected directly onto the first column, where vanillylmandelic acid was separated from the main part of the sample matrix. The internal standard isovanillylmandelic acid was co-eluting with vanillylmandelic acid, and a fraction of the eluate containing both substances was switched to the second column, where separation was performed. To assess peak purity, detection was performed with dual working electrodes in parallel mode. A relative standard deviation of 3.5% was obtained for determination of human urine samples containing 3 microM vanillylmandelic acid, and less than 0.1 microM could be detected.
Multiscale Finite Element Methods for Flows on Rough Surfaces
Efendiev, Yalchin
2013-01-01
In this paper, we present the Multiscale Finite Element Method (MsFEM) for problems on rough heterogeneous surfaces. We consider the diffusion equation on oscillatory surfaces. Our objective is to represent small-scale features of the solution via multiscale basis functions described on a coarse grid. This problem arises in many applications where processes occur on surfaces or thin layers. We present a unified multiscale finite element framework that entails the use of transformations that map the reference surface to the deformed surface. The main ingredients of MsFEM are (1) the construction of multiscale basis functions and (2) a global coupling of these basis functions. For the construction of multiscale basis functions, our approach uses the transformation of the reference surface to a deformed surface. On the deformed surface, multiscale basis functions are defined where reduced (1D) problems are solved along the edges of coarse-grid blocks to calculate nodalmultiscale basis functions. Furthermore, these basis functions are transformed back to the reference configuration. We discuss the use of appropriate transformation operators that improve the accuracy of the method. The method has an optimal convergence if the transformed surface is smooth and the image of the coarse partition in the reference configuration forms a quasiuniform partition. In this paper, we consider such transformations based on harmonic coordinates (following H. Owhadi and L. Zhang [Comm. Pure and Applied Math., LX(2007), pp. 675-723]) and discuss gridding issues in the reference configuration. Numerical results are presented where we compare the MsFEM when two types of deformations are used formultiscale basis construction. The first deformation employs local information and the second deformation employs a global information. Our numerical results showthat one can improve the accuracy of the simulations when a global information is used. © 2013 Global-Science Press.
C. Hong
2017-06-01
Full Text Available In this study, a regional coupled climate–chemistry modeling system using the dynamical downscaling technique was established by linking the global Community Earth System Model (CESM and the regional two-way coupled Weather Research and Forecasting – Community Multi-scale Air Quality (WRF-CMAQ model for the purpose of comprehensive assessments of regional climate change and air quality and their interactions within one modeling framework. The modeling system was applied over east Asia for a multi-year climatological application during 2006–2010, driven with CESM downscaling data under Representative Concentration Pathways 4.5 (RCP4.5, along with a short-term air quality application in representative months in 2013 that was driven with a reanalysis dataset. A comprehensive model evaluation was conducted against observations from surface networks and satellite observations to assess the model's performance. This study presents the first application and evaluation of the two-way coupled WRF-CMAQ model for climatological simulations using the dynamical downscaling technique. The model was able to satisfactorily predict major meteorological variables. The improved statistical performance for the 2 m temperature (T2 in this study (with a mean bias of −0.6 °C compared with the Coupled Model Intercomparison Project Phase 5 (CMIP5 multi-models might be related to the use of the regional model WRF and the bias-correction technique applied for CESM downscaling. The model showed good ability to predict PM2. 5 in winter (with a normalized mean bias (NMB of 6.4 % in 2013 and O3 in summer (with an NMB of 18.2 % in 2013 in terms of statistical performance and spatial distributions. Compared with global models that tend to underpredict PM2. 5 concentrations in China, WRF-CMAQ was able to capture the high PM2. 5 concentrations in urban areas. In general, the two-way coupled WRF-CMAQ model performed well for both climatological and air
Hong, Chaopeng; Zhang, Qiang; Zhang, Yang; Tang, Youhua; Tong, Daniel; He, Kebin
2017-06-01
In this study, a regional coupled climate-chemistry modeling system using the dynamical downscaling technique was established by linking the global Community Earth System Model (CESM) and the regional two-way coupled Weather Research and Forecasting - Community Multi-scale Air Quality (WRF-CMAQ) model for the purpose of comprehensive assessments of regional climate change and air quality and their interactions within one modeling framework. The modeling system was applied over east Asia for a multi-year climatological application during 2006-2010, driven with CESM downscaling data under Representative Concentration Pathways 4.5 (RCP4.5), along with a short-term air quality application in representative months in 2013 that was driven with a reanalysis dataset. A comprehensive model evaluation was conducted against observations from surface networks and satellite observations to assess the model's performance. This study presents the first application and evaluation of the two-way coupled WRF-CMAQ model for climatological simulations using the dynamical downscaling technique. The model was able to satisfactorily predict major meteorological variables. The improved statistical performance for the 2 m temperature (T2) in this study (with a mean bias of -0.6 °C) compared with the Coupled Model Intercomparison Project Phase 5 (CMIP5) multi-models might be related to the use of the regional model WRF and the bias-correction technique applied for CESM downscaling. The model showed good ability to predict PM2. 5 in winter (with a normalized mean bias (NMB) of 6.4 % in 2013) and O3 in summer (with an NMB of 18.2 % in 2013) in terms of statistical performance and spatial distributions. Compared with global models that tend to underpredict PM2. 5 concentrations in China, WRF-CMAQ was able to capture the high PM2. 5 concentrations in urban areas. In general, the two-way coupled WRF-CMAQ model performed well for both climatological and air quality applications. The coupled
Multiscale spacetimes from first principles
Calcagni, Gianluca
2016-01-01
We formulate a theorem for the general profile of the Hausdorff and the spectral dimension of multiscale geometries, assuming a smooth and slow change of spacetime dimensionality at large scales. Agreement with various scenarios of quantum gravity is found. In particular, we derive uniquely the multiscale measure with log oscillations of theories of multifractional geometry. Predictivity of this class of models and falsifiability of their abundant phenomenology are thus established.
Variational multiscale models for charge transport.
Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin
2012-01-01
This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle
Entropic Approach to Multiscale Clustering Analysis
Antonio Insolia
2012-05-01
Full Text Available Recently, a novel method has been introduced to estimate the statistical significance of clustering in the direction distribution of objects. The method involves a multiscale procedure, based on the Kullback–Leibler divergence and the Gumbel statistics of extreme values, providing high discrimination power, even in presence of strong background isotropic contamination. It is shown that the method is: (i semi-analytical, drastically reducing computation time; (ii very sensitive to small, medium and large scale clustering; (iii not biased against the null hypothesis. Applications to the physics of ultra-high energy cosmic rays, as a cosmological probe, are presented and discussed.
Sensing and Multiscale Structure
Fletcher, John F A
2012-01-01
We introduce a method of estimating parameters associated with a fractal random scattering medium, which utilizes the multiscale properties of the scattered field. The example of ray-density fluctuations beyond a phase screen with fractal slope is considered. An exact solution to the forward problem, in the case of the Brownian fractal, leads to an expression for the volatility of the slope. This expression is invariant under a change of probability measure, a fact which gives rise to the corresponding result for a (stationary) Ornstein-Uhlenbeck slope. We demonstrate that our analytical results are consistent with numerical simulations. Finally, an application to the determination of sea ice thickness via sonar is discussed.
The Magentospheric Multiscale Constellation
Tooley, C. R.; Black, R. K.; Robertson, B. P.; Stone, J. M.; Pope, S. E.; Davis, G. T.
2015-01-01
The Magnetospheric Multiscale (MMS) mission is the fourth mission of the Solar Terrestrial Probe (STP) program of the National Aeronautics and Space Administration (NASA). The MMS mission was launched on March 12, 2015. The MMS mission consists of four identically instrumented spin-stabilized observatories which are flown in formation to perform the first definitive study of magnetic reconnection in space. The MMS mission was presented with numerous technical challenges, including the simultaneous construction and launch of four identical large spacecraft with 100 instruments total, stringent electromagnetic cleanliness requirements, closed-loop precision maneuvering and pointing of spinning flexible spacecraft, on-board GPS based orbit determination far above the GPS constellation, and a flight dynamics design that enables formation flying with separation distances as small as 10 km. This paper describes the overall mission design and presents an overview of the design, testing, and early on-orbit operation of the spacecraft systems and instrument suite.
The Magnetospheric Multiscale Constellation
Tooley, C. R.; Black, R. K.; Robertson, B. P.; Stone, J. M.; Pope, S. E.; Davis, G. T.
2016-03-01
The Magnetospheric Multiscale (MMS) mission is the fourth mission of the Solar Terrestrial Probe (STP) program of the National Aeronautics and Space Administration (NASA). The MMS mission was launched on March 12, 2015. The MMS mission consists of four identically instrumented spin-stabilized observatories which are flown in formation to perform the first definitive study of magnetic reconnection in space. The MMS mission was presented with numerous technical challenges, including the simultaneous construction and launch of four identical large spacecraft with 100 instruments total, stringent electromagnetic cleanliness requirements, closed-loop precision maneuvering and pointing of spinning flexible spacecraft, on-board GPS based orbit determination far above the GPS constellation, and a flight dynamics design that enables formation flying with separation distances as small as 10 km. This paper describes the overall mission design and presents an overview of the design, testing, and early on-orbit operation of the spacecraft systems and instrument suite.
Multiscale modelling of saliva secretion.
Sneyd, James; Crampin, Edmund; Yule, David
2014-11-01
We review a multiscale model of saliva secretion, describing in brief how the model is constructed and what we have so far learned from it. The model begins at the level of inositol trisphosphate receptors (IPR), and proceeds through the cellular level (with a model of acinar cell calcium dynamics) to the multicellular level (with a model of the acinus), finally to a model of a saliva production unit that includes an acinus and associated duct. The model at the level of the entire salivary gland is not yet completed. Particular results from the model so far include (i) the importance of modal behaviour of IPR, (ii) the relative unimportance of Ca(2+) oscillation frequency as a controller of saliva secretion, (iii) the need for the periodic Ca(2+) waves to be as fast as possible in order to maximise water transport, (iv) the presence of functional K(+) channels in the apical membrane increases saliva secretion, (v) the relative unimportance of acinar spatial structure for isotonic water transport, (vi) the prediction that duct cells are highly depolarised, (vii) the prediction that the secondary saliva takes at least 1mm (from the acinus) to reach ionic equilibrium. We end with a brief discussion of future directions for the model, both in construction and in the study of scientific questions.
An interface for the direct coupling of small liquid samples to AMS
Ognibene, T.J., E-mail: ognibene1@llnl.gov [Center for Accelerator Mass Spectrometry, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94551 (United States); Thomas, A.T.; Daley, P.F.; Bench, G. [Center for Accelerator Mass Spectrometry, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94551 (United States); Turteltaub, K.W. [Biology and Biotechnology Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94551 (United States)
2015-10-15
We describe the moving wire interface attached to the 1-MV AMS system at LLNL’s Center for Accelerator Mass Spectrometry for the analysis of nonvolatile liquid samples as either discrete drops or from the direct output of biochemical separatory instrumentation, such as high-performance liquid chromatography (HPLC). Discrete samples containing at least a few 10 s of nanograms of carbon and as little as 50 zmol {sup 14}C can be measured with a 3–5% precision in a few minutes. The dynamic range of our system spans approximately 3 orders in magnitude. Sample to sample memory is minimized by the use of fresh targets for each discrete sample or by minimizing the amount of carbon present in a peak generated by an HPLC containing a significant amount of {sup 14}C. Liquid sample AMS provides a new technology to expand our biomedical AMS program by enabling the capability to measure low-level biochemicals in extremely small samples that would otherwise be inaccessible.
An interface for the direct coupling of small liquid samples to AMS
Ognibene, T. J.; Thomas, A. T.; Daley, P. F.; Bench, G.; Turteltaub, K. W.
2015-10-01
We describe the moving wire interface attached to the 1-MV AMS system at LLNL's Center for Accelerator Mass Spectrometry for the analysis of nonvolatile liquid samples as either discrete drops or from the direct output of biochemical separatory instrumentation, such as high-performance liquid chromatography (HPLC). Discrete samples containing at least a few 10 s of nanograms of carbon and as little as 50 zmol 14C can be measured with a 3-5% precision in a few minutes. The dynamic range of our system spans approximately 3 orders in magnitude. Sample to sample memory is minimized by the use of fresh targets for each discrete sample or by minimizing the amount of carbon present in a peak generated by an HPLC containing a significant amount of 14C. Liquid sample AMS provides a new technology to expand our biomedical AMS program by enabling the capability to measure low-level biochemicals in extremely small samples that would otherwise be inaccessible.
[Hygienic maintenance of water mist-generating equipment that couples directly to the tap].
Hamatake, Michiko; Aoki, Rie; Yamazaki, Mitsugu; Ohnishi, Kenjiro; Matsumoto, Kazutoshi
2015-01-01
Water mist is usually generated using equipment directly connected to the water tap, as its installation is relatively easy. However, there is no legal regulation regarding the maintenance of this equipment, and the quality of the mist has not been sufficiently well investigated. In this study, we sought to establish methods that allow the hygienic maintenance of this equipment. We monitored the use of the mist generating equipment in five of the 61 institutions in the jurisdiction of Ichinomiya Health Center, examined the resulting water quality, and tested for Legionella bacteria in the mist. If equipment was found to contain bacteria, the contaminated part was identified by counting the number of bacteria in the water after sequentially washing and disinfecting parts of the equipment. We also identified the predominant bacterial species. In the water mists from three of 5 institutions, the number of bacteria greatly exceeded that permitted for drinking-water, even though the residual chlorine level was >0.1 mg/l. However, no Legionella bacteria were detected. Brevundimonas species were predominant in the water mists at each institute. The hose was found to be the contaminated component in each case. Our findings suggest that the number of bacteria in the water mist exceeded the drinking-water quality standard, even with a residual chlorine level of >0.1 mg/l. This study also revealed the importance of the continued drainage of water, following suitable cleaning and disinfection for maintenance of the mist-generating equipment.
A multiphysics and multiscale software environment for modeling astrophysical systems
Zwart, Simon Portegies; Harfst, Stefan; Groen, Derek; Fujii, Michiko
2008-01-01
We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a ``Noah's Ark'' milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multi-scale and multi-physics systems in which the time- and size-scales are well separated, like simulating the evolution of plan...
Wolf, Jan-Christoph; Etter, Raphael; Schaer, Martin; Siegenthaler, Peter; Zenobi, Renato
2016-07-01
An active capillary plasma ionization (ACI) source was coupled to a handheld mass spectrometer (Mini 10.5; Aston Labs, West Lafayette, IN, USA) and applied to the direct gas-phase detection and quantification of chemical warfare agent (CWA) related chemicals. Complementing the discontinuous atmospheric pressure interface (DAPI) of the Mini 10.5 mass spectrometer with an additional membrane pump, a quasi-continuous sample introduction through the ACI source was achieved. Nerve agent simulants (three dialkyl alkylphosphonates, a dialkyl phosporamidate, and the pesticide dichlorvos) were detected at low gas-phase concentrations with limits of detection ranging from 1.0 μg/m3 to 6.3 μg/m3. Our results demonstrate a sensitivity enhancement for portable MS-instrumentation by using an ACI source, enabling direct, quantitative measurements of volatile organic compounds. Due to its high sensitivity, selectivity, low power consumption (<80 W) and weight (<13 kg), this instrumentation has the potential for direct on-site CWA detection as required by military or civil protection.
Wolf, Jan-Christoph; Etter, Raphael; Schaer, Martin; Siegenthaler, Peter; Zenobi, Renato
2016-07-01
An active capillary plasma ionization (ACI) source was coupled to a handheld mass spectrometer (Mini 10.5; Aston Labs, West Lafayette, IN, USA) and applied to the direct gas-phase detection and quantification of chemical warfare agent (CWA) related chemicals. Complementing the discontinuous atmospheric pressure interface (DAPI) of the Mini 10.5 mass spectrometer with an additional membrane pump, a quasi-continuous sample introduction through the ACI source was achieved. Nerve agent simulants (three dialkyl alkylphosphonates, a dialkyl phosporamidate, and the pesticide dichlorvos) were detected at low gas-phase concentrations with limits of detection ranging from 1.0 μg/m(3) to 6.3 μg/m(3). Our results demonstrate a sensitivity enhancement for portable MS-instrumentation by using an ACI source, enabling direct, quantitative measurements of volatile organic compounds. Due to its high sensitivity, selectivity, low power consumption (<80 W) and weight (<13 kg), this instrumentation has the potential for direct on-site CWA detection as required by military or civil protection. Graphical Abstract ᅟ.
Conrad Grégoire, D.; de Lourdes Ballinas, Maria
1997-01-01
A method is described for the direct determination of arsenic in fresh and saline waters by electrothermal vaporization inductively coupled plasma mass spectrometry. Arsenic could be determined directly in waters containing up to 10 000 μg ml -1 NaCl without interference from the formation of 75ArCl +. For non-saline waters, arsenic was determined directly with the addition to both aqueous calibration standards and samples of 0.1 μg each of Pd and Mg to act as physical carriers. For the analysis of highly saline waters, the use of Pd and Mg chemical modifier served to thermally stabilize arsenic up to a temperature of 1000°C, while the separate addition of 8 mg of ammonium nitrate was used to remove chloride from the sample. This eliminated serious spectral interference on 75As + from 75ArCl +. Although the ArCl + spectral interference was completely eliminated, residual Na co-volatilized with As caused signal suppression, requiring the use of the method of standard additions for calibration. An absolute limit of detection limit for As of 0.069 pg was obtained corresponding to 6.9 pg ml -1 in a 10 μl sample.
Ghanbari, J; Naghdabadi, R
2009-07-22
We have used a hierarchical multiscale modeling scheme for the analysis of cortical bone considering it as a nanocomposite. This scheme consists of definition of two boundary value problems, one for macroscale, and another for microscale. The coupling between these scales is done by using the homogenization technique. At every material point in which the constitutive model is needed, a microscale boundary value problem is defined using a macroscopic kinematical quantity and solved. Using the described scheme, we have studied elastic properties of cortical bone considering its nanoscale microstructural constituents with various mineral volume fractions. Since the microstructure of bone consists of mineral platelet with nanometer size embedded in a protein matrix, it is similar to the microstructure of soft matrix nanocomposites reinforced with hard nanostructures. Considering a representative volume element (RVE) of the microstructure of bone as the microscale problem in our hierarchical multiscale modeling scheme, the global behavior of bone is obtained under various macroscopic loading conditions. This scheme may be suitable for modeling arbitrary bone geometries subjected to a variety of loading conditions. Using the presented method, mechanical properties of cortical bone including elastic moduli and Poisson's ratios in two major directions and shear modulus is obtained for different mineral volume fractions.
Parallel multiscale simulations of a brain aneurysm.
Grinberg, Leopold; Fedosov, Dmitry A; Karniadakis, George Em
2013-07-01
Cardiovascular pathologies, such as a brain aneurysm, are affected by the global blood circulation as well as by the local microrheology. Hence, developing computational models for such cases requires the coupling of disparate spatial and temporal scales often governed by diverse mathematical descriptions, e.g., by partial differential equations (continuum) and ordinary differential equations for discrete particles (atomistic). However, interfacing atomistic-based with continuum-based domain discretizations is a challenging problem that requires both mathematical and computational advances. We present here a hybrid methodology that enabled us to perform the first multi-scale simulations of platelet depositions on the wall of a brain aneurysm. The large scale flow features in the intracranial network are accurately resolved by using the high-order spectral element Navier-Stokes solver εκαr . The blood rheology inside the aneurysm is modeled using a coarse-grained stochastic molecular dynamics approach (the dissipative particle dynamics method) implemented in the parallel code LAMMPS. The continuum and atomistic domains overlap with interface conditions provided by effective forces computed adaptively to ensure continuity of states across the interface boundary. A two-way interaction is allowed with the time-evolving boundary of the (deposited) platelet clusters tracked by an immersed boundary method. The corresponding heterogeneous solvers ( εκαr and LAMMPS) are linked together by a computational multilevel message passing interface that facilitates modularity and high parallel efficiency. Results of multiscale simulations of clot formation inside the aneurysm in a patient-specific arterial tree are presented. We also discuss the computational challenges involved and present scalability results of our coupled solver on up to 300K computer processors. Validation of such coupled atomistic-continuum models is a main open issue that has to be addressed in future
Parallel multiscale simulations of a brain aneurysm
Grinberg, Leopold [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States); Fedosov, Dmitry A. [Institute of Complex Systems and Institute for Advanced Simulation, Forschungszentrum Jülich, Jülich 52425 (Germany); Karniadakis, George Em, E-mail: george_karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States)
2013-07-01
Cardiovascular pathologies, such as a brain aneurysm, are affected by the global blood circulation as well as by the local microrheology. Hence, developing computational models for such cases requires the coupling of disparate spatial and temporal scales often governed by diverse mathematical descriptions, e.g., by partial differential equations (continuum) and ordinary differential equations for discrete particles (atomistic). However, interfacing atomistic-based with continuum-based domain discretizations is a challenging problem that requires both mathematical and computational advances. We present here a hybrid methodology that enabled us to perform the first multiscale simulations of platelet depositions on the wall of a brain aneurysm. The large scale flow features in the intracranial network are accurately resolved by using the high-order spectral element Navier–Stokes solver NεκTαr. The blood rheology inside the aneurysm is modeled using a coarse-grained stochastic molecular dynamics approach (the dissipative particle dynamics method) implemented in the parallel code LAMMPS. The continuum and atomistic domains overlap with interface conditions provided by effective forces computed adaptively to ensure continuity of states across the interface boundary. A two-way interaction is allowed with the time-evolving boundary of the (deposited) platelet clusters tracked by an immersed boundary method. The corresponding heterogeneous solvers (NεκTαr and LAMMPS) are linked together by a computational multilevel message passing interface that facilitates modularity and high parallel efficiency. Results of multiscale simulations of clot formation inside the aneurysm in a patient-specific arterial tree are presented. We also discuss the computational challenges involved and present scalability results of our coupled solver on up to 300 K computer processors. Validation of such coupled atomistic-continuum models is a main open issue that has to be addressed in
Efficient anodic and direct phenol-arene C,C cross-coupling: the benign role of water or methanol.
Kirste, Axel; Elsler, Bernd; Schnakenburg, Gregor; Waldvogel, Siegfried R
2012-02-22
C,C cross-coupling reactions for the synthesis of nonsymmetrical biaryls represent one of the most significant transformations in contemporary organic chemistry. A variety of useful synthetic methods have been developed in recent decades, since nonsymmetrical biaryls play an evident role in natural product synthesis, as ligand systems in homogeneous catalysis and materials science. Transformation of simple arenes by direct C,H activation belongs to the cutting-edge strategies for creating biaryls; in particular the 2-fold C,H activation is of significant interest. However, in most examples very costly noble metal catalysts, ligand systems, and significant amount of waste-producing oxidants are required. Electrochemical procedures are considered as inherently "green" methods, because only electrons are required and therefore, no reagent waste is produced. Here, we report a metal-free electrochemical method for cross-coupling between phenols and arenes using boron-doped diamond (BDD) anodes in fluorinated media. Our sustainable approach requires no leaving functionalities. Employing water or methanol as mediator represents the key improvement for achieving nonsymmetrical biaryls with superb selectivity and synthetic attractive yields.
Pan, Liping; He, Zhu; Li, Baokuan; Zhou, Kun; Sun, Ke
2017-03-01
The temperature distribution and the thermal deformation of the crystallization roller have a significant effect on the forming process of the thin steel strip. Finite element analysis has been used to simulate the temperature distribution and the thermal deformation in a crystallization roller through the direct thermal-structural coupling analysis method. Various parameters, such as different rotational velocities, diverse locations of cooling water pipes, and typical velocities of cooling water have been systematically investigated. It is found that the temperature and the equivalent stress of the outer surface reach the steady state after 30 s of rotations, and they are influenced remarkably by the factors of rotational velocity and cooling water pipe depth. Meanwhile, the radial displacement approaches the steady state after 300 s of revolutions and is significantly affected by the cooling water velocity.
First Direct Measurement of the Parity-Violating Coupling of the $Z^{0}$ to the s-Quark
Abe, K; Abe, T; Adam, I; Akimoto, H; Aston, D; Baird, K G; Baltay, C; Band, H R; Barklow, Timothy L; Bauer, J M; Bellodi, G; Berger, R; Blaylock, G; Bogart, J R; Bower, G R; Brau, J E; Breidenbach, M; Bugg, W M; Burke, D; Burnett, T H; Burrows, P N; Calcaterra, A; Cassell, R; Chou, A; Cohn, H O; Coller, J A; Convery, M R; Cook, V; Cowan, R F; Crawford, G; Damerell, C J S; Daoudi, M; Dasu, S; De Groot, N; De Sangro, R; Dong, D N; Doser, Michael; Dubois, R; Erofeeva, I; Eschenburg, V; Etzion, E; Fahey, S; Falciai, D; Fernández, J P; Flood, K; Frey, R; Hart, E L; Hasuko, K; Hertzbach, S S; Huffer, M E; Huynh, X; Iwasaki, M; Jackson, D J; Jacques, P; Jaros, J A; Jiang, Z Y; Johnson, A S; Johnson, J R; Kajikawa, R; Kalelkar, M S; Kang, H J; Kofler, R R; Kroeger, R S; Langston, M; Leith, D W G S; Lia, V; Lin, C; Mancinelli, G; Manly, S L; Mantovani, G C; Markiewicz, T W; Maruyama, T; McKemey, A K; Messner, R; Moffeit, K C; Moore, T B; Morii, M; Müller, D; Murzin, V S; Narita, S; Nauenberg, U; Neal, H; Nesom, G; Oishi, N; Onoprienko, D V; Osborne, L S; Panvini, R S; Park, C H; Peruzzi, I; Piccolo, M; Piemontese, L; Plano, R J; Prepost, R; Prescott, C Y; Ratcliff, B N; Reidy, J; Reinertsen, P L; Rochester, L S; Rowson, P C; Russell, J J; Saxton, O H; Schalk, T L; Schumm, B A; Schwiening, J; Serbo, V V; Shapiro, G; Sinev, N B; Snyder, J A; Stängle, H; Stahl, A; Stamer, P E; Steiner, H; Su, D; Suekane, F; Sugiyama, A; Suzuki, A; Swartz, M; Taylor, F E; Thom, J; Torrence, E; Usher, T; Vavra, J; Verdier, R; Wagner, D L; Waite, A P; Walston, S; Weidemann, A W; Weiss, E R; Whitaker, J S; Williams, S H; Willocq, S; Wilson, R J; Wisniewski, W J; Wittlin, J L; Woods, M; Wright, T R; Yamamoto, R K; Yashima, J; Yellin, S J; Young, C C; Yuta, H
2000-01-01
We have made the first direct measurement of the parity-violating coupling of the Z^0 boson to the strange quark, A_s, using ~550,000 e^+e^- ->Z^0->hadrons events produced with a polarized electron beam and recorded by the SLD experiment. Z^0 -> s-sbar events were tagged by the absence of B or D hadrons and the presence in each hemisphere of a high-momentum K^+- or K^0_s. From the polar angle distributions of the strangeness-signed thrust axis, we obtained A_s=0.895+-0.066(stat.)+-0.062(syst.). The analyzing power and u-ubar plus d-dbar background were constrained using the data.
Light yield of an undoped CsI crystal coupled directly to a photomultiplier tube at 77 Kelvin
Liu, Jing; Yamashita, Masaki; Soma, Arun Kumar
2017-01-01
A light yield of 20 . 4 +/- 0 . 8 photoelectrons/keV was achieved with an undoped CsI crystal coupled directly to a photomultiplier tube at 77 Kelvin. This is by far the largest in the world achieved with CsI crystals. An energy threshold that is several times lower than the current dark matter experiments utilizing CsI(Tl) crystals may be achievable using this technique. Together with novel CsI crystal purification methods, the technique may be used to improve the sensitivities of dark matter and coherent elastic neutrino-nucleus scattering experiments. Also measured were the scintillation light decay constants of the undoped CsI crystal at both room temperature and 77 Kelvin. The results are consistent with those in the literature. This work was supported by NSF PHY-1506036, USA and Grant-in-Aid (B) Project No. 26800122, MEXT, Japan.
Pan, Liping; He, Zhu; Li, Baokuan; Zhou, Kun; Sun, Ke
2016-12-01
The temperature distribution and the thermal deformation of the crystallization roller have a significant effect on the forming process of the thin steel strip. Finite element analysis has been used to simulate the temperature distribution and the thermal deformation in a crystallization roller through the direct thermal-structural coupling analysis method. Various parameters, such as different rotational velocities, diverse locations of cooling water pipes, and typical velocities of cooling water have been systematically investigated. It is found that the temperature and the equivalent stress of the outer surface reach the steady state after 30 s of rotations, and they are influenced remarkably by the factors of rotational velocity and cooling water pipe depth. Meanwhile, the radial displacement approaches the steady state after 300 s of revolutions and is significantly affected by the cooling water velocity.
Light yield of an undoped CsI crystal coupled directly to a photomultiplier tube at 77 Kelvin
Liu, Jing; Soma, Arun Kumar
2016-01-01
A light yield of 20.4 $\\pm$ 0.8 photoelectrons/keV was achieved with an undoped CsI crystal coupled directly to a photomultiplier tube at 77 Kelvin. This is by far the largest yield in the world achieved with CsI crystals. An energy threshold that is several times lower than the current dark matter experiments utilizing CsI(Tl) crystals may be achievable using this technique. Together with novel CsI crystal purification methods, the technique may be used to improve the sensitivities of dark matter and coherent elastic neutrino-nucleus scattering experiments. Also measured were the scintillation light decay constants of the undoped CsI crystal at both room temperature and 77 Kelvin. The results are consistent with those in the literature.
Ekeberg, Magnus; Hartonen, Tuomo; Aurell, Erik
2014-11-01
Direct-coupling analysis is a group of methods to harvest information about coevolving residues in a protein family by learning a generative model in an exponential family from data. In protein families of realistic size, this learning can only be done approximately, and there is a trade-off between inference precision and computational speed. We here show that an earlier introduced l2-regularized pseudolikelihood maximization method called plmDCA can be modified as to be easily parallelizable, as well as inherently faster on a single processor, at negligible difference in accuracy. We test the new incarnation of the method on 143 protein family/structure-pairs from the Protein Families database (PFAM), one of the larger tests of this class of algorithms to date.
A multiscale model for red blood cell mechanics.
Hartmann, Dirk
2010-02-01
The objective of this article is the derivation of a continuum model for mechanics of red blood cells via multiscale analysis. On the microscopic level, we consider realistic discrete models in terms of energy functionals defined on networks/lattices. Using concepts of Gamma-convergence, convergence results as well as explicit homogenisation formulae are derived. Based on a characterisation via energy functionals, appropriate macroscopic stress-strain relationships (constitutive equations) can be determined. Further, mechanical moduli of the derived macroscopic continuum model are directly related to microscopic moduli. As a test case we consider optical tweezers experiments, one of the most common experiments to study mechanical properties of cells. Our simulations of the derived continuum model are based on finite element methods and account explicitly for membrane mechanics and its coupling with bulk mechanics. Since the discretisation of the continuum model can be chosen freely, rather than it is given by the topology of the microscopic cytoskeletal network, the approach allows a significant reduction of computational efforts. Our approach is highly flexible and can be generalised to many other cell models, also including biochemical control.
Data Assimilation and Propagation of Uncertainty in Multiscale Cardiovascular Simulation
Schiavazzi, Daniele; Marsden, Alison
2015-11-01
Cardiovascular modeling is the application of computational tools to predict hemodynamics. State-of-the-art techniques couple a 3D incompressible Navier-Stokes solver with a boundary circulation model and can predict local and peripheral hemodynamics, analyze the post-operative performance of surgical designs and complement clinical data collection minimizing invasive and risky measurement practices. The ability of these tools to make useful predictions is directly related to their accuracy in representing measured physiologies. Tuning of model parameters is therefore a topic of paramount importance and should include clinical data uncertainty, revealing how this uncertainty will affect the predictions. We propose a fully Bayesian, multi-level approach to data assimilation of uncertain clinical data in multiscale circulation models. To reduce the computational cost, we use a stable, condensed approximation of the 3D model build by linear sparse regression of the pressure/flow rate relationship at the outlets. Finally, we consider the problem of non-invasively propagating the uncertainty in model parameters to the resulting hemodynamics and compare Monte Carlo simulation with Stochastic Collocation approaches based on Polynomial or Multi-resolution Chaos expansions.
Multiscale modelling of fluid-immersed granular media
Clément, Christian Paul André René
2010-01-01
In this thesis we present numerical simulation studies of fluid-immersed granular systems using models of varying scales and complexities. These techniques are used to examine the effects of an interstitial fluid on the dynamics of dense granular beds within a number of vibrated systems. After an introduction to the field of granular materials, we present the techniques used to model both the granular dynamics and the fluid flow. We introduce various multiscale techniques to couple the mo...
Multiscale structure in eco-evolutionary dynamics
Stacey, Blake C.
In a complex system, the individual components are neither so tightly coupled or correlated that they can all be treated as a single unit, nor so uncorrelated that they can be approximated as independent entities. Instead, patterns of interdependency lead to structure at multiple scales of organization. Evolution excels at producing such complex structures. In turn, the existence of these complex interrelationships within a biological system affects the evolutionary dynamics of that system. I present a mathematical formalism for multiscale structure, grounded in information theory, which makes these intuitions quantitative, and I show how dynamics defined in terms of population genetics or evolutionary game theory can lead to multiscale organization. For complex systems, "more is different," and I address this from several perspectives. Spatial host--consumer models demonstrate the importance of the structures which can arise due to dynamical pattern formation. Evolutionary game theory reveals the novel effects which can result from multiplayer games, nonlinear payoffs and ecological stochasticity. Replicator dynamics in an environment with mesoscale structure relates to generalized conditionalization rules in probability theory. The idea of natural selection "acting at multiple levels" has been mathematized in a variety of ways, not all of which are equivalent. We will face down the confusion, using the experience developed over the course of this thesis to clarify the situation.
Multiscale modeling and simulation of brain blood flow
Perdikaris, Paris, E-mail: parisp@mit.edu [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Grinberg, Leopold, E-mail: leopoldgrinberg@us.ibm.com [IBM T.J Watson Research Center, 1 Rogers St, Cambridge, Massachusetts 02142 (United States); Karniadakis, George Em, E-mail: george-karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912 (United States)
2016-02-15
The aim of this work is to present an overview of recent advances in multi-scale modeling of brain blood flow. In particular, we present some approaches that enable the in silico study of multi-scale and multi-physics phenomena in the cerebral vasculature. We discuss the formulation of continuum and atomistic modeling approaches, present a consistent framework for their concurrent coupling, and list some of the challenges that one needs to overcome in achieving a seamless and scalable integration of heterogeneous numerical solvers. The effectiveness of the proposed framework is demonstrated in a realistic case involving modeling the thrombus formation process taking place on the wall of a patient-specific cerebral aneurysm. This highlights the ability of multi-scale algorithms to resolve important biophysical processes that span several spatial and temporal scales, potentially yielding new insight into the key aspects of brain blood flow in health and disease. Finally, we discuss open questions in multi-scale modeling and emerging topics of future research.
Keelor, Joel D.; Dwivedi, Prabha; Fernández, Facundo M.
2014-09-01
Drift tube ion mobility spectrometry (DTIMS) has evolved as a robust analytical platform routinely used for screening small molecules across a broad suite of chemistries ranging from food and pharmaceuticals to explosives and environmental toxins. Most modern atmospheric pressure IM detectors employ corona discharge, photoionization, radioactive, or electrospray ion sources for efficient ion production. Coupling standalone DTIMS with ambient plasma-based techniques, however, has proven to be an exceptional challenge. Device sensitivity with near-ground ambient plasma sources is hindered by poor ion transmission at the source-instrument interface, where ion repulsion is caused by the strong electric field barrier of the high potential ion mobility spectrometry (IMS) inlet. To overcome this shortfall, we introduce a new ion source design incorporating a repeller point electrode used to shape the electric field profile and enable ion transmission from a direct analysis in real time (DART) plasma ion source. Parameter space characterization studies of the DART DTIMS setup were performed to ascertain the optimal configuration for the source assembly favoring ion transport. Preliminary system capabilities for the direct screening of solid pharmaceuticals are briefly demonstrated.
Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials
Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar
2015-01-01
The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition
The Magnetospheric Multiscale Magnetometers
Russell, C. T.; Anderson, B. J.; Baumjohann, W.; Bromund, K. R.; Dearborn, D.; Fischer, D.; Le, G.; Leinweber, H. K.; Leneman, D.; Magnes, W.; Means, J. D.; Moldwin, M. B.; Nakamura, R.; Pierce, D.; Plaschke, F.; Rowe, K. M.; Slavin, J. A.; Strangeway, R. J.; Torbert, R.; Hagen, C.; Jernej, I.; Valavanoglou, A.; Richter, I.
2016-03-01
The success of the Magnetospheric Multiscale mission depends on the accurate measurement of the magnetic field on all four spacecraft. To ensure this success, two independently designed and built fluxgate magnetometers were developed, avoiding single-point failures. The magnetometers were dubbed the digital fluxgate (DFG), which uses an ASIC implementation and was supplied by the Space Research Institute of the Austrian Academy of Sciences and the analogue magnetometer (AFG) with a more traditional circuit board design supplied by the University of California, Los Angeles. A stringent magnetic cleanliness program was executed under the supervision of the Johns Hopkins University's Applied Physics Laboratory. To achieve mission objectives, the calibration determined on the ground will be refined in space to ensure all eight magnetometers are precisely inter-calibrated. Near real-time data plays a key role in the transmission of high-resolution observations stored on board so rapid processing of the low-resolution data is required. This article describes these instruments, the magnetic cleanliness program, and the instrument pre-launch calibrations, the planned in-flight calibration program, and the information flow that provides the data on the rapid time scale needed for mission success.
On multiscale moving contact line theory.
Li, Shaofan; Fan, Houfu
2015-07-08
In this paper, a multiscale moving contact line (MMCL) theory is presented and employed to simulate liquid droplet spreading and capillary motion. The proposed MMCL theory combines a coarse-grained adhesive contact model with a fluid interface membrane theory, so that it can couple molecular scale adhesive interaction and surface tension with hydrodynamics of microscale flow. By doing so, the intermolecular force, the van der Waals or double layer force, separates and levitates the liquid droplet from the supporting solid substrate, which avoids the shear stress singularity caused by the no-slip condition in conventional hydrodynamics theory of moving contact line. Thus, the MMCL allows the difference of the surface energies and surface stresses to drive droplet spreading naturally. To validate the proposed MMCL theory, we have employed it to simulate droplet spreading over various elastic substrates. The numerical simulation results obtained by using MMCL are in good agreement with the molecular dynamics results reported in the literature.
Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport
Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.
2016-12-01
Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between
Hybrid multiscale simulation of a mixing-controlled reaction
Scheibe, Timothy D.; Schuchardt, Karen L.; Agarwal, Khushbu; Chase, Jared M.; Yang, Xiaofan; Palmer, Bruce J.; Tartakovsky, Alexandre M.; Elsethagen, Todd O.; Redden, George D.
2015-09-01
Continuum-scale models have been used to study subsurface flow, transport, and reactions for many years but lack the capability to resolve fine-grained processes. Recently, pore-scale models, which operate at scales of individual soil grains, have been developed to more accurately model and study pore-scale phenomena, such as mineral precipitation and dissolution reactions, microbially-mediated surface reactions, and other complex processes. However, these highly-resolved models are prohibitively expensive for modeling domains of sizes relevant to practical problems. To broaden the utility of pore-scale models for larger domains, we developed a hybrid multiscale model that initially simulates the full domain at the continuum scale and applies a pore-scale model only to areas of high reactivity. Since the location and number of pore-scale model regions in the model varies as the reactions proceed, an adaptive script defines the number and location of pore regions within each continuum iteration and initializes pore-scale simulations from macroscale information. Another script communicates information from the pore-scale simulation results back to the continuum scale. These components provide loose coupling between the pore- and continuum-scale codes into a single hybrid multiscale model implemented within the SWIFT workflow environment. In this paper, we consider an irreversible homogenous bimolecular reaction (two solutes reacting to form a third solute) in a 2D test problem. This paper is focused on the approach used for multiscale coupling between pore- and continuum-scale models, application to a realistic test problem, and implications of the results for predictive simulation of mixing-controlled reactions in porous media. Our results and analysis demonstrate that loose coupling provides a feasible, efficient and scalable approach for multiscale subsurface simulations.
Mulholland, William J.; Kendall, Mark A.
2004-02-01
The application of near infrared multiphoton excitation to the laser-scanning microscope was first conceived by Denk, Strickler and Webb in 1990. Since then, advances in design have seen the multiphoton laser scanning microscope (MPLSM) applied to a wide range of biological research areas, including skin imaging and vaccine delivery. The technique has the attributes of low phototoxicity, high-resolution functional imaging to depths in scattered tissues. These characteristics have encouraged engineers and scientists to develop in-vivo imaging systems. For these applications, laser excitation pulses can be delivered to the sample through optical fibers. Although this solution provides a number of advantages relating to movement and flexibility of the site of interest relative to the laser source, the peak powers that can be delivered down the fiber are limited. We report on the design and commissioning of a directly coupled in-vivo MPM system, optimised for the imaging of epidermal vaccines delivered to a range of biological models and humans. Specifically, we seek to apply the system to visualise in-vivo, the influence of hand-held, helium powered needle-free systems on skin cells. A standard Nikon E600FN microscope, dissected above the optical plane was cantilevered from a vibration isolated table using rigid support arms. The modified microscope was coupled to an infrared optimised Bio-Rad Radiance 2100MP, multiphoton dedicated laser scanning control and image acquisition system. Femtosecond laser pulses were provided by a 10W Verdi pumped Mira Ti:Sapphire laser, from Coherent Inc. The microscope was modified such that the transmission half may be selectively attached for conventional imaging with ex-vivo and cell culture samples, or removed for in-vivo imaging of skin sites on the body of humans and large animals. Optical performance of the system, and aspects of its design and commissioning are discussed in this paper.
Dutta, Anirban; Jacob, Athira; Chowdhury, Shubhajit Roy; Das, Abhijit; Nitsche, Michael A
2015-04-01
A method for electroencephalography (EEG) - near-infrared spectroscopy (NIRS) based assessment of neurovascular coupling (NVC) during anodal transcranial direct current stimulation (tDCS). Anodal tDCS modulates cortical neural activity leading to a hemodynamic response, which was used to identify impaired NVC functionality. In this study, the hemodynamic response was estimated with NIRS. NIRS recorded changes in oxy-hemoglobin (HbO2) and deoxy-hemoglobin (Hb) concentrations during anodal tDCS-induced activation of the cortical region located under the electrode and in-between the light sources and detectors. Anodal tDCS-induced alterations in the underlying neuronal current generators were also captured with EEG. Then, a method for the assessment of NVC underlying the site of anodal tDCS was proposed that leverages the Hilbert-Huang Transform. The case series including four chronic (>6 months) ischemic stroke survivors (3 males, 1 female from age 31 to 76) showed non-stationary effects of anodal tDCS on EEG that correlated with the HbO2 response. Here, the initial dip in HbO2 at the beginning of anodal tDCS corresponded with an increase in the log-transformed mean-power of EEG within 0.5Hz-11.25Hz frequency band. The cross-correlation coefficient changed signs but was comparable across subjects during and after anodal tDCS. The log-transformed mean-power of EEG lagged HbO2 response during tDCS but then led post-tDCS. This case series demonstrated changes in the degree of neurovascular coupling to a 0.526 A/m(2) square-pulse (0-30 s) of anodal tDCS. The initial dip in HbO2 needs to be carefully investigated in a larger cohort, for example in patients with small vessel disease.
He, Lipeng
2012-07-23
Dehydrogenative homocoupling of primary alcohols to form esters and coupling of amines to form imines was accomplished using a class of novel pincer ruthenium complexes. The reactivities of the ruthenium pincer complexes for the direct coupling of amines to form imines were enhanced by introducing an imine arm to the pincer ligand. Selective oxidation of benzylamines to imines was achieved using aniline derivatives as the substrate and solvent. © 2012 American Chemical Society.
Mahaffey, Barbara A.
2010-01-01
A psychoeducational model for improving couple communication is proposed. An important goal in couples counseling is to assist couples in resolving communication conflicts. The proposed communication model helps to establish a therapeutic environment that encourages insight, therapeutic alliance formation, catharsis, self-disclosure, symptom…
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-03-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Multiscale simulation of water flow past a C540 fullerene
Walther, Jens H.; Praprotnik, Matej; Kotsalis, Evangelos M.; Koumoutsakos, Petros
2012-04-01
We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice-Boltzmann (LB) description for the Navier-Stokes equations. The proposed method links the MD and LB domains using a fully three-dimensional interface and coupling of velocity gradients. The present overlapping domain method implicitly preserves the flux of mass and momentum and bridges flux-based and Schwarz domain decomposition algorithms. We use this method to determine the slip length and hydrodynamic radius for water flow past a buckyball.
Rye, Torstein Kige; Fuchs, David; Pedersen-Bjergaard, Stig; Petersen, Nickolaj Jacob
2017-08-29
A triple-flow electromembrane extraction (EME) probe was developed and coupled directly to electrospray-ionization mass spectrometry (ESI-MS). Metabolic reaction mixtures (pH 7.4) containing drug substances and related metabolites were continuously drawn (20 μL/min) into the EME probe in one flow channel, and mixed inside the probe with 7.5 μL min(-1) of 1 M formic acid as make-up flow from a second flow channel. Following this acidification, the drug substances and their related metabolites were continuously extracted by EME at 400 V, across a supported liquid membrane (SLM) comprising 2-nitrophenyl octyl ether (and for some experiments containing 30% triphenyl phosphate (TPP)), and into 20 μL min(-1) of formic acid as acceptor phase, which was introduced through a third flow channel. The acceptor phase was pumped directly to the MS system, and the ion intensity of extracted analytes was followed continuously as function of time. The triple-flow EME probe was used for co-extraction of positively charged parent drugs and their zwitterionic drug metabolites (hydroxyzine and its carboxylic acid metabolite cetirizine; and vortioxetine and its carboxylic acid metabolite Lu AA34443). While the zwitterionic metabolites could not be extracted at pH 7.4, it was shown that by acidifying the sample solution the zwitterionic metabolites could be extracted effectively. Various extraction parameters like make-up flow, extraction voltage and SLM composition were optimized for simultaneous extraction of parent drugs and metabolites. It was found that TPP added to the SLM improved extraction efficiencies of certain drug metabolites. Finally the optimized and characterized triple-flow EME probe was used for online studying the in-vitro metabolism of hydroxyzine and vortioxetine by rat liver microsomes. Due to the automated pre-extraction acidification of the rat liver microsomal solutions, it was possible to continuously monitor formation of the zwitterionic drug
J. Xing
2015-05-01
Full Text Available The ability of a coupled meteorology-chemistry model, i.e., WRF-CMAQ, in reproducing the historical trend in AOD and clear-sky short-wave radiation (SWR over the Northern Hemisphere has been evaluated through a comparison of 21 year simulated results with observation-derived records from 1990–2010. Six satellite retrieved AOD products including AVHRR, TOMS, SeaWiFS, MISR, MODIS-terra and -aqua as well as long-term historical records from 11 AERONET sites were used for the comparison of AOD trends. Clear-sky SWR products derived by CERES at both TOA and surface as well as surface SWR data derived from seven SURFRAD sites were used for the comparison of trends in SWR. The model successfully captured increasing AOD trends along with the corresponding increased TOA SWR (upwelling and decreased surface SWR (downwelling in both eastern China and the northern Pacific. The model also captured declining AOD trends along with the corresponding decreased TOA SWR (upwelling and increased surface SWR (downwelling in eastern US, Europe and northern Atlantic for the period of 2000–2010. However, the model underestimated the AOD over regions with substantial natural dust aerosol contributions, such as the Sahara Desert, Arabian Desert, central Atlantic and north Indian Ocean. Estimates of aerosol direct radiative effect (DRE at TOA are comparable with those derived by measurements. Compared to GCMs, the model exhibits better estimates of surface- aerosol direct radiative efficiency (Eτ. However, surface-DRE tends to be underestimated due to the underestimated AOD in land and dust regions. Further investigation of TOA-Eτ estimations as well as the dust module used for estimates of windblown-dust emissions is needed.
Bayesian Integration of multiscale environmental data
2016-08-22
The software is designed for efficiently integrating large-size of multi-scale environmental data using the Bayesian framework. Suppose we need to estimate the spatial distribution of variable X with high spatial resolution. The available data include (1) direct measurements Z of the unknowns with high resolution in a subset of the spatial domain (small spatial coverage), (2) measurements C of the unknowns at the median scale, and (3) measurements A of the unknowns at the coarsest scale but with large spatial coverage. The goal is to estimate the unknowns at the fine grids by conditioning to all the available data. We first consider all the unknowns as random variables and estimate conditional probability distribution of those variables by conditioning to the limited high-resolution observations (Z). We then treat the estimated probability distribution as the prior distribution. Within the Bayesian framework, we combine the median and large-scale measurements (C and A) through likelihood functions. Since we assume that all the relevant multivariate distributions are Gaussian, the resulting posterior distribution is a multivariate Gaussian distribution. The developed software provides numerical solutions of the posterior probability distribution. The software can be extended in several different ways to solve more general multi-scale data integration problems.
Multiscale simulation of DC corona discharge and ozone generation from nanostructures
Wang, Pengxiang
Atmospheric direct current (dc) corona discharge from micro-sized objects has been widely used as an ion source in many devices, such as photocopiers, laser printers, and electronic air cleaners. Shrinking the size of the discharge electrode to the nanometer range (e.g., through the use of carbon nanotubes or CNTs) is expected to lead to a significant reduction in power consumption and detrimental ozone production in these devices. The objectives of this study are to unveil the fundamental physics of the nanoscale corona discharge and to evaluate its performance and ozone production through numerical models. The extremely small size of CNTs presents considerable complexity and challenges in modeling CNT corona discharges. A hybrid multiscale model, which combines a kinetic particle-in-cell plus Monte Carlo collision (PIC-MCC) model and a continuum model, is developed to simulate the corona discharge from nanostructures. The multiscale model is developed in several steps. First, a pure PIC-MCC model is developed and PIC-MCC simulations of corona plasma from micro-sized electrode with same boundary conditions as prior model are performed to validate the PIC-MCC scheme. The agreement between the PIC-MCC model and the prior continuum model indicates the validity of the PIC-MCC scheme. The validated PIC-MCC scheme is then coupled with a continuum model to simulate the corona discharge from a micro-sized electrode. Unlike the prior continuum model which only predicts the corona plasma region, the hybrid model successfully predicts the self-consistent discharge process in the entire corona discharge gap that includes both corona plasma region and unipolar ion region. The voltage-current density curves obtained by the hybrid model agree well with analytical prediction and experimental results. The hybrid modeling approach, which combines the accuracy of a kinetic model and the efficiency of a continuum model, is thus validated for modeling dc corona discharges. For
Gao, Ying; Shi, Zeming; Zong, Qinxia; Wu, Peng; Su, Jing [Sichuan Provincial Key Laboratory of Nuclear Technology in Geology, College of Nuclear Technology and Automation Engineering, Chengdu University of Technology, Chengdu 610059 (China); Liu, Rui, E-mail: liur.ray@gmail.com [Mineral Resources Chemistry Key Laboratory of Sichuan Higher Education Institutions, College of Materials and Chemistry and Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China)
2014-02-17
Graphical abstract: -- Highlights: •Simple, sensitive, and accurate method is established for mercury determination in cosmetics. •The sample preparation procedure is highly simplified. •Isotope dilution efficiently eliminates matrix effect. •First report of using formic acid based method in combination with PVG-ID-ICP MS for mercury quantitation in cosmetics. -- Abstract: A new method was proposed for the accurate determination of mercury in cosmetic samples based on isotopic dilution (ID)-photochemical vapor generation (PVG)-inductively coupled plasma mass spectrometry (ICP MS) measurement. Cosmetic samples were directly dissolved in formic acid solution and subsequently subjected to PVG for the reduction of mercury into vapor species following by ICP MS detection. Therefore, the risks of analyte contamination and loss were avoided. Highly enriched {sup 201}Hg isotopic spike is added to cosmetics and the isotope ratios of {sup 201}Hg/{sup 202}Hg were measured for the quantitation of mercury. With ID calibration, the influences originating from sample matrixes for the determination of mercury in cosmetic samples have been efficiently eliminated. The effects of several experimental parameters, such as the concentration of the formic acid, and the flow rates of carrier gas and sample were investigated. The method provided good reproducibility and the detection limits were found to be 0.6 pg mL{sup −1}. Finally, the developed method was successfully applied for the determination of mercury in six cosmetic samples and a spike test was performed to verify the accuracy of the method.
MRX measurement setup employing a directly-coupled high-T{sub c} SQUID with slotted pickup loop
Guillaume, Alexander; Ludwig, Frank; Scholtyssek, Jan M.; Schilling, Meinhard [Institut fuer Elektrische Messtechnik und Grundlagen der Elektrotechnik, Technische Universitaet Braunschweig, Hans-Sommer-Str. 66, D-38106 Braunschweig (Germany)
2013-07-01
Magnetic nanoparticles (MNP) are employed in a wide range of medical and industrial applications. Besides other characterization techniques, magnetorelaxometry (MRX) is well established. In our MRX setup, we employ a directly-coupled high-T{sub c} SQUID with a slotted pickup loop as magnetic field sensor. The whole setup is installed in a magnetically shielded room. The MNP sample, which is attached to a glass dipstick containing the SQUID, is magnetized by a pair of Helmholtz-coils. In order to prevent flux vortices from entering the SQUID, the sensor is aligned parallel to the magnetizing field so that only the stray field of the MNP is measured. The aligning process is accomplished by using three alignment screws. Hence, the SQUID only measures 1 ppm of the magnetizing field which is in the order of several mT. Since the magnetic nanoparticles are placed in liquid nitrogen, the relaxation time constant increases in comparison to a measurement of the particles at room temperature allowing to investigate particle sizes down to 10 nm. Here, we present our MRX setup and the employed SQUID design. We evaluate its performance by carrying out MRX measurements on immobilized MNPs.
Figge, Lena; Appler, Franziska; Chen, Howard H; Sosnovik, David E; Schnorr, Jörg; Seitz, Oliver; Taupitz, Matthias; Hamm, Bernd; Schellenberger, Eyk
2014-01-01
Annexin A5 (Anx) has been extensively used for imaging apoptosis by single-photon emission computed tomography, positron emission tomography, optical imaging and MRI. Recently we introduced ultrasmall Anx-VSOP (very small iron oxide particles)--the smallest high-relaxivity probe for MRI of apoptosis. Here we present a simplified method for the direct coupling of Anx to VSOP, which resulted in nanoparticles that are nearly completely covered with human Anx. These superparamagnetic nanoparticles are only 14.4 ± 2.3 nm in diameter and have higher T2* relaxivity. Compared with existing probes, the small size and the Anx shielding provide prerequisites for good biocompatibility and bioavailability in target tissues. In vitro characterization showed specific binding of Anx-VSOP to apoptotic cells, which led to a signal loss in T2*-weighted MR measurements, while control probe M1324-VSOP produced no such change. Exploratory MRI was done in vivo in a cardiac model of ischemia-reperfusion damage illustrating the potential of the probe for future studies. Copyright © 2014 John Wiley & Sons, Ltd.
Tse, I.; Poindexter, C.; Variano, E. A.
2013-12-01
Among the numerous ecological benefits of restoring wetlands is carbon sequestration. As emergent vegetation thrive, atmospheric CO2 is removed and converted into biomass that gradually become additional soil. Forecasts and management for these systems rely on accurate knowledge of gas exchange between the atmosphere and the wetland surface waters. Our previous work showed that the rate of gas transfer across the air-water interface is affected by the amount of water column mixing caused by winds penetrating through the plant canopy. Here, we present the first direct measurements of wind-water momentum coupling made within a tule marsh. This work in Twitchell Island in the California Delta shows how momentum is imparted into the water from wind stress and that this wind stress interacts with the surface waters in an interesting way. By correlating three-component velocity signals from a sonic anemometer placed within the plant canopy with data from a novel Volumetric Particle Imager (VoPI) placed in the water, we measure the flux of kinetic energy through the plant canopy and the time-scale of the response. We also use this unique dataset to estimate the air-water drag coefficient using an adjoint method.
Simona Cocco
Full Text Available Various approaches have explored the covariation of residues in multiple-sequence alignments of homologous proteins to extract functional and structural information. Among those are principal component analysis (PCA, which identifies the most correlated groups of residues, and direct coupling analysis (DCA, a global inference method based on the maximum entropy principle, which aims at predicting residue-residue contacts. In this paper, inspired by the statistical physics of disordered systems, we introduce the Hopfield-Potts model to naturally interpolate between these two approaches. The Hopfield-Potts model allows us to identify relevant 'patterns' of residues from the knowledge of the eigenmodes and eigenvalues of the residue-residue correlation matrix. We show how the computation of such statistical patterns makes it possible to accurately predict residue-residue contacts with a much smaller number of parameters than DCA. This dimensional reduction allows us to avoid overfitting and to extract contact information from multiple-sequence alignments of reduced size. In addition, we show that low-eigenvalue correlation modes, discarded by PCA, are important to recover structural information: the corresponding patterns are highly localized, that is, they are concentrated in few sites, which we find to be in close contact in the three-dimensional protein fold.
Multi-scale MSDT inversion based on LAI spatial knowledge
ZHU XiaoHua; FENG XiaoMing; ZHAO YingShi
2012-01-01
Quantitative remote sensing inversion is ill-posed.The Moderate Resolution Imaging Spectroradiometer at 250 m resolution (MODIS_250m) contains two bands.To deal with this ill-posed inversion of MODIS_250m data,we propose a framework,the Multi-scale,Multi-stage,Sample-direction Dependent,Target-decisions (Multi-scale MSDT) inversion method,based on spatial knowledge.First,MODIS images (1 km,500 m,250 m) are used to extract multi-scale spatial knowledge.The inversion accuracy of MODIS_1km data is improved by reducing the impact of spatial heterogeneity.Then,coarse-scale inversion is taken as prior knowledge for the fine scale,again by inversion.The prior knowledge is updated after each inversion step.At each scale,MODIS_1km to MODIS_250m,the inversion is directed by the Uncertainty and Sensitivity Matrix (USM),and the most uncertain parameters are inversed by the most sensitive data.All remote sensing data are involved in the inversion,during which multi-scale spatial knowledge is introduced,to reduce the impact of spatial heterogeneity.The USM analysis is used to implement a reasonable allocation of limited remote sensing data in the model space.In the entire multi-scale inversion process,field data,spatial knowledge and multi-scale remote sensing data are all involved.As the multi-scale,multi-stage inversion is gradually refined,initial expectations of parameters become more reasonable and their uncertainty range is effectively reduced,so that the inversion becomes increasingly targeted.Finally,the method is tested by retrieving the Leaf Area Index (LAI) of the crop canopy in the Heihe River Basin.The results show that the proposed method is reliable.
Kaiser, W.; Bach, L.; Reithmaier, J. P.;
2003-01-01
37 GHz direct-modulation bandwidth could be obtained by a multi-section design with an integrated weakly coupled DBR grating. The laser shows side mode suppression ratios of 45 dB and output powers exceeding 20 mW.......37 GHz direct-modulation bandwidth could be obtained by a multi-section design with an integrated weakly coupled DBR grating. The laser shows side mode suppression ratios of 45 dB and output powers exceeding 20 mW....
Homogeneous Turbulence Generated by Multi-scale Grids
Krogstad, Per-Age [Norwegian University of Science and Technology, N-7491 Trondheim (Norway); Davidson, Peter, E-mail: per.a.krogstad@ntnu.no [University of Cambridge, Cambridge CB2 1PZ (United Kingdom)
2011-12-22
We investigate wind tunnel turbulence generated by a conventional and two multi-scale grids. The conventional and multi-scale grids were all designed to produce turbulence with the same integral scale, so that a direct comparison could be made between the different flows. The decay of the turbulent energy was mapped in detail from a distance from the grid less than one mesh width, down to distances of the order of 200 meshes using a combination of laser doppler and hot wire anemometry tools. The turbulent decay rate behind our multi-scale grids was found to be virtually identical to that behind the equivalent conventional grid after the initial transition had been completed. In particular, all flows exhibit a power-law decay of energy, u{sup 2} {approx} t{sup -n}, where n is very close to the classical Saffman exponent of n = 6/5 in the far field. Our results are at odds with some other experiments performed on multi-scale grids, where significantly higher energy decay exponents have been reported.
On a multiscale approach for filter efficiency simulations
Iliev, Oleg P.
2014-07-01
Filtration in general, and the dead end depth filtration of solid particles out of fluid in particular, is intrinsic multiscale problem. The deposition (capturing of particles) essentially depends on local velocity, on microgeometry (pore scale geometry) of the filtering medium and on the diameter distribution of the particles. The deposited (captured) particles change the microstructure of the porous media what leads to change of permeability. The changed permeability directly influences the velocity field and pressure distribution inside the filter element. To close the loop, we mention that the velocity influences the transport and deposition of particles. In certain cases one can evaluate the filtration efficiency considering only microscale or only macroscale models, but in general an accurate prediction of the filtration efficiency requires multiscale models and algorithms. This paper discusses the single scale and the multiscale models, and presents a fractional time step discretization algorithm for the multiscale problem. The velocity within the filter element is computed at macroscale, and is used as input for the solution of microscale problems at selected locations of the porous medium. The microscale problem is solved with respect to transport and capturing of individual particles, and its solution is postprocessed to provide permeability values for macroscale computations. Results from computational experiments with an oil filter are presented and discussed.
Multiscale modeling and simulation of nanotube-based torsional oscillators
Xiao Shaoping
2006-01-01
Full Text Available AbstractIn this paper, we propose the first numerical study of nanotube-based torsional oscillators via developing a new multiscale model. The edge-to-edge technique was employed in this multiscale method to couple the molecular model, i.e., nanotubes, and the continuum model, i.e., the metal paddle. Without losing accuracy, the metal paddle was treated as the rigid body in the continuum model. Torsional oscillators containing (10,0 nanotubes were mainly studied. We considered various initial angles of twist to depict linear/nonlinear characteristics of torsional oscillators. Furthermore, effects of vacancy defects and temperature on mechanisms of nanotube-based torsional oscillators were discussed.
Kurfürst, Milan; Blechta, Vratislav; Schraml, Jan
2011-08-01
Absolute values of (79) geminal (2)J((29) Si-O-(29)Si) couplings were measured in an extensive series of (55) unstrained siloxanes dissolved in chloroform-d. Signs of (2)J((29)Si-O-(29)Si) in some (9) silicon hydrides were determined relative to (1)J((29)Si-(1)H) which are known to be negative. It is supposed that positive sign of the (2)J((29)Si-O-(29)Si) coupling found in all studied hydrides is common to all siloxanes. Theoretical calculations for simple model compounds failed to reproduce this sign and so their predictions of bond length and angle dependences cannot be taken as reliable. Useful empirical correlations were found between the (2)J((29)Si-O-(29)Si) couplings on one side and the total number m of oxygen atoms bonded to the silicon atoms, sum of (29)Si chemical shifts or product of (1)J((29)Si-(13)C) couplings on the other side. The significance of these correlations is briefly discussed.
Reduced basis heterogeneous multiscale methods
Abdulle, Assyr
2015-01-01
Numerical methods for partial differential equations with multiple scales that combine numerical homogenization methods with reduced order modeling techniques are discussed. These numerical methods can be applied to a variety of problems including multiscale nonlinear elliptic and parabolic problems or Stokes flow in heterogenenous media.
Multiscale Image Based Flow Visualization
Telea, Alexandru; Strzodka, Robert
2006-01-01
We present MIBFV, a method to produce real-time, multiscale animations of flow datasets. MIBFV extends the attractive features of the Image-Based Flow Visualization (IBFV) method, i.e. dense flow domain coverage with flow-aligned noise, real-time animation, implementation simplicity, and few (or no)
Multiscale Thermohydrologic Model
T. Buscheck
2004-10-12
The purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. Thus, the goal is to predict the range of possible thermal-hydrologic conditions across the repository; this is quite different from predicting a single expected thermal-hydrologic response. The MSTHM calculates the following thermal-hydrologic parameters: temperature, relative humidity, liquid-phase saturation, evaporation rate, air-mass fraction, gas-phase pressure, capillary pressure, and liquid- and gas-phase fluxes (Table 1-1). These thermal-hydrologic parameters are required to support ''Total System Performance Assessment (TSPA) Model/Analysis for the License Application'' (BSC 2004 [DIRS 168504]). The thermal-hydrologic parameters are determined as a function of position along each of the emplacement drifts and as a function of waste package type. These parameters are determined at various reference locations within the emplacement drifts, including the waste package and drip-shield surfaces and in the invert. The parameters are also determined at various defined locations in the adjoining host rock. The MSTHM uses data obtained from the data tracking numbers (DTNs) listed in Table 4.1-1. The majority of those DTNs were generated from the following analyses and model reports: (1) ''UZ Flow Model and Submodels'' (BSC 2004 [DIRS 169861]); (2) ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2004); (3) ''Calibrated Properties Model'' (BSC 2004 [DIRS 169857]); (4) ''Thermal Conductivity of the Potential Repository Horizon'' (BSC 2004 [DIRS 169854]); (5) ''Thermal Conductivity of the Non-Repository Lithostratigraphic Layers
Multiscale modeling methods in biomechanics.
Bhattacharya, Pinaki; Viceconti, Marco
2017-01-19
More and more frequently, computational biomechanics deals with problems where the portion of physical reality to be modeled spans over such a large range of spatial and temporal dimensions, that it is impossible to represent it as a single space-time continuum. We are forced to consider multiple space-time continua, each representing the phenomenon of interest at a characteristic space-time scale. Multiscale models describe a complex process across multiple scales, and account for how quantities transform as we move from one scale to another. This review offers a set of definitions for this emerging field, and provides a brief summary of the most recent developments on multiscale modeling in biomechanics. Of all possible perspectives, we chose that of the modeling intent, which vastly affect the nature and the structure of each research activity. To the purpose we organized all papers reviewed in three categories: 'causal confirmation,' where multiscale models are used as materializations of the causation theories; 'predictive accuracy,' where multiscale modeling is aimed to improve the predictive accuracy; and 'determination of effect,' where multiscale modeling is used to model how a change at one scale manifests in an effect at another radically different space-time scale. Consistent with how the volume of computational biomechanics research is distributed across application targets, we extensively reviewed papers targeting the musculoskeletal and the cardiovascular systems, and covered only a few exemplary papers targeting other organ systems. The review shows a research subdomain still in its infancy, where causal confirmation papers remain the most common. For further resources related to this article, please visit the WIREs website.
Aubourg, Quentin; Mordant, Nicolas
2016-04-01
energy cascade is clearly observed consistently with previous measurements. A large amount of data permits us to use higher order statistical tools to investigate directly the resonant interactions. We observe a strong presence of triadic interactions in our system, confirming the foundations of the weak wave turbulence theory. A significant part of these interactions are non-local and enable coupling between capillary and gravity waves. We also emphasize the role of approximate resonances that are made possible by the nonlinear spectral widening. The quasi-resonances increase significantly the number of wave interactions and in particular open the possibility of observing 3-wave coupling among gravity waves although 3-wave exact resonances are prohibited. These effects are being currently investigated in a larger size experiment using a 13m in diameter wave flume. Our observation raise the question of the importance of these approximate resonances of gravity waves in energy transfers both in the theory and in the ocean.
Chadha, Arvinder Singh
Silicon photonics is realized as a promising platform to meet the requirements of higher bandwidth and low cost high density monolithic integration. More recent demonstrations of a variety of stretchable, foldable and transfer printed ultra-thin silicon integrated circuits have instigated the use of flexible silicon nanomembrane for practical applications. Equally impressive innovations are demonstrated in the area of flat screen displays, smart cards, eyeglasses, and wearable displays. However, the overall efficiency of a variety of optical device is limited by poor light management resulting from difficulty of light coupling, small absorption volume in thin-film nanomembrane, and glare at oblique incidence to name a few. The aim of this thesis is to present the work of micro- and nano-scale structures for out-of-plane light coupling and absorption for integrated silicon photonics and high performance solar cells and photodetectors, with maximum absorption in the functional layer and minimal front-surface reflection and minimal rear-surface transmission. Perfect absorption in a variety of semiconductor nanomembranes (NM) and atomic layers of two dimensional (2D) materials over different wavelength spectrum is realized due to the local field intensity enhancement at critical coupling to the guided resonances of a photonic crystal (PC). A judicious choice of grating parameters tailors the power diffracted in the zeorth order and higher order modes making the device work as a broadband reflector, an in-plane coupler or a combination of both reflector and an in-plane coupler. At surface normal incidence, the polarization dependence of the grating based reflector is eliminated by the use of 2D photonic crystals. The incorporation of such a reflector after the functional nanomembrane layer reduces the back-surface transmission. Effect of incident angle, polarization and incident plane misalignment dependence on the reflection of a silicon NM based reflector are
Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao
2016-08-03
Copper-catalyzed directed decarboxylative amination of nonactivated aliphatic carboxylic acids is described. This intramolecular C-N bond formation reaction provides efficient access to the synthesis of pyrrolidine and piperidine derivatives as well as the modification of complex natural products. Moreover, this reaction presents excellent site-selectivity in the C-N bond formation step through the use of directing group. Our work can be considered as a big step toward controllable radical decarboxylative carbon-heteroatom cross-coupling.
Vein Texture Extraction Using the Multiscale Second-Order Differential Model
Xiong Xinyan
2013-07-01
Full Text Available In order to analyze the back of hand vein pattern rapidly and effectively, a novel approach based on multi-scale second-order differential model is proposed to extract the vein texture from vein samples directly, which is made up of two section: one is the foundation of local second-order differential model of vein texture(VLSDM, the other is texture extraction based on the multi-scale VLSDM. This paper analyzes the vein extraction using the multi-scale VLSDM and handles the filter response using the method of multi-scale analyzed noise filtered. This new algorithm has achieved good results for the vein texture, which is fuzzy, uneven distributed and cross-adhesion. Additionally this method keeps the original form of local shape and achieves orientation and scale information of the vein texture. The experiment result getting from this new method has also compared with another method and shown its outstanding performance.
Three-dimensional Hybrid Continuum-Atomistic Simulations for Multiscale Hydrodynamics
Wijesinghe, S; Hornung, R; Garcia, A; Hadjiconstantinou, N
2004-04-15
We present an adaptive mesh and algorithmic refinement (AMAR) scheme for modeling multi-scale hydrodynamics. The AMAR approach extends standard conservative adaptive mesh refinement (AMR) algorithms by providing a robust flux-based method for coupling an atomistic fluid representation to a continuum model. The atomistic model is applied locally in regions where the continuum description is invalid or inaccurate, such as near strong flow gradients and at fluid interfaces, or when the continuum grid is refined to the molecular scale. The need for such ''hybrid'' methods arises from the fact that hydrodynamics modeled by continuum representations are often under-resolved or inaccurate while solutions generated using molecular resolution globally are not feasible. In the implementation described herein, Direct Simulation Monte Carlo (DSMC) provides an atomistic description of the flow and the compressible two-fluid Euler equations serve as our continuum-scale model. The AMR methodology provides local grid refinement while the algorithm refinement feature allows the transition to DSMC where needed. The continuum and atomistic representations are coupled by matching fluxes at the continuum-atomistic interfaces and by proper averaging and interpolation of data between scales. Our AMAR application code is implemented in C++ and is built upon the SAMRAI (Structured Adaptive Mesh Refinement Application Infrastructure) framework developed at Lawrence Livermore National Laboratory. SAMRAI provides the parallel adaptive gridding algorithm and enables the coupling between the continuum and atomistic methods.
Wang, Jianhua; Hansen, Elo Harald
2002-01-01
An automated sequential injection on-line preconcentration procedure for trace metals by using a PTFE bead-packed microcolumn coupled to ICP-MS is described, and used for simultaneous analyses of cadmium and lead. In dilute nitric acid (0.5%, v/v), neutral complexes between the analytes and chela......An automated sequential injection on-line preconcentration procedure for trace metals by using a PTFE bead-packed microcolumn coupled to ICP-MS is described, and used for simultaneous analyses of cadmium and lead. In dilute nitric acid (0.5%, v/v), neutral complexes between the analytes...... and chelating reagent, diethyldithiophosphate (DDPA), are formed and adsorbed onto the surface of the PTFE beads. The adsorbed complexes are afterwards eluted with 20% nitric acid and the leading part of the eluate (40 mul) is stored in a sample loop (SL), the contents of which are subsequently transported, via...
Badiya, Pradeep Kumar; Patnaik, Sai Gourang; Srinivasan, Venkatesh; Reddy, Narendra; Manohar, Chelli Sai; Vedarajan, Raman; Mastumi, Noriyoshi; Belliraj, Siva Kumar; Ramamurthy, Sai Sathish
2017-10-01
We report the use of silver decorated plant proteins as spacer material for augmented surface plasmon-coupled emission (120-fold enhancement) and plasmon-enhanced Raman scattering. We extracted several proteins from different plant sources [Triticum aestivum (TA), Aegle marmelos (AM), Ricinus communis (RC), Jatropha curcas (JC) and Simarouba glauca (SG)] followed by evaluation of their optical properties and simulations to rationalize observed surface plasmon resonance. Since the properties exhibited by protein thin films is currently gaining research interest, we have also carried out simulation studies with Ag-protein biocomposites as spacer materials in metal-dielectric-metal planar microcavity architecture for guided emission of Fabry-Perot mode-coupled fluorescence.
Fu, X.; Wang, S. X.; Ran, L. M.; Pleim, J. E.; Cooter, E.; Bash, J. O.; Benson, V.; Hao, J. M.
2015-06-01
Atmospheric ammonia (NH3) plays an important role in atmospheric aerosol chemistry. China is one of the largest NH3 emitting countries with the majority of NH3 emissions coming from agricultural practices, such as fertilizer application and livestock production. The current NH3 emission estimates in China are mainly based on pre-defined emission factors that lack temporal or spatial details, which are needed to accurately predict NH3 emissions. This study provides the first online estimate of NH3 emissions from agricultural fertilizer application in China, using an agricultural fertilizer modeling system which couples a regional air quality model (the Community Multi-scale Air Quality model, or CMAQ) and an agro-ecosystem model (the Environmental Policy Integrated Climate model, or EPIC). This method improves the spatial and temporal resolution of NH3 emissions from this sector. We combined the cropland area data of 14 crops from 2710 counties with the Moderate Resolution Imaging Spectroradiometer (MODIS) land use data to determine the crop distribution. The fertilizer application rates and methods for different crops were collected at provincial or agricultural region levels. The EPIC outputs of daily fertilizer application and soil characteristics were input into the CMAQ model and the hourly NH3 emissions were calculated online with CMAQ running. The estimated agricultural fertilizer NH3 emissions in this study were approximately 3 Tg in 2011. The regions with the highest modeled emission rates are located in the North China Plain. Seasonally, peak ammonia emissions occur from April to July. Compared with previous researches, this study considers an increased number of influencing factors, such as meteorological fields, soil and fertilizer application, and provides improved NH3 emissions with higher spatial and temporal resolution.
Thomas, Avi T; Stewart, Benjamin J; Ognibene, Ted J; Turteltaub, Kenneth W; Bench, Graham
2013-04-02
Quantitation of low-abundance protein modifications involves significant analytical challenges, especially in biologically important applications, such as studying the role of post-translational modifications in biology and measurement of the effects of reactive drug metabolites. (14)C labeling combined with accelerator mass spectrometry (AMS) provides exquisite sensitivity for such experiments. Here, we demonstrate real-time (14)C quantitation of high-performance liquid chromatography (HPLC) separations by liquid sample accelerator mass spectrometry (LS-AMS). By enabling direct HPLC-AMS coupling, LS-AMS overcomes several major limitations of conventional HPLC-AMS, where individual HPLC fractions must be collected and converted to graphite before measurement. To demonstrate LS-AMS and compare the new technology to traditional solid sample AMS (SS-AMS), reduced and native bovine serum albumin (BSA) was modified by (14)C-iodoacetamide, with and without glutathione present, producing adducts on the order of 1 modification in every 10(6) to 10(8) proteins. (14)C incorporated into modified BSA was measured by solid carbon AMS and LS-AMS. BSA peptides were generated by tryptic digestion. Analysis of HPLC-separated peptides was performed in parallel by LS-AMS, fraction collection combined with SS-AMS, and (for peptide identification) electrospray ionization and tandem mass spectrometry (ESI-MS/MS). LS-AMS enabled (14)C quantitation from ng sample sizes and was 100 times more sensitive to (14)C incorporated in HPLC-separated peptides than SS-AMS, resulting in a lower limit of quantitation of 50 zmol (14)C/peak. Additionally, LS-AMS turnaround times were minutes instead of days, and HPLC trace analyses required 1/6th the AMS instrument time required for analysis of graphite fractions by SS-AMS.
Kiera, Arne F.; Schmidt-Lehr, Sebastian; Song, Ming [Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg (Germany); Bings, Nicolas H. [Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg (Germany)], E-mail: bings@chemie.uni-hamburg.de; Broekaert, Jose A.C. [Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg (Germany)
2008-02-15
A procedure for the direct analysis of silicon carbide powders (SiC) by simultaneous detection inductively coupled plasma optical emission spectrometry using a Spectro-CIROS{sup TM} spectrometer (CCD-ICP-OES) and a novel spark ablation system Spectro-SASSy (SA) as sample introduction technique is described. The sample preparation procedure for SA of non-conducting material is based on mixing the sample powders with a conducting matrix, in this case copper and briquetting pellets. Pressing time, pressure and mixing ratio are shown to be important parameters of the pelleting technique with respect to their mechanical stability for the reliability of the analysis results. A mixing ratio of 0.2 g +0.6 g for SiC and Cu, a pressure of 10 t cm{sup -2} and a pressing time of 8 min have been found optimum. It has also been shown that the spark parameters selected are crucial for uniform volatilization. Electron probe micrographs of the burning spots and the analytical signal magnitude showed that a rather hard spark at 100 Hz was optimum. The determination of trace elements in silicon carbide powders is demonstrated using a calibration based on the addition of standard solutions. For Al, Ti, V, Mn and Fe detection limits in the lower {mu}g g{sup -1} range can be achieved. Internal standardization with Y in combination with the addition of standard solutions allows relative standard deviations in the range of 4 to 24% for concentration levels of the order of 3 to 350 {mu}g g{sup -1}.
Yan, Neng; Zhu, Zhenli; He, Dong; Jin, Lanlan; Zheng, Hongtao; Hu, Shenghong
2016-04-01
The increasing use of metal-based nanoparticle products has raised concerns in particular for the aquatic environment and thus the quantification of such nanomaterials released from products should be determined to assess their environmental risks. In this study, a simple, rapid and sensitive method for the determination of size and mass concentration of gold nanoparticles (AuNPs) in aqueous suspension was established by direct coupling of thin layer chromatography (TLC) with catalyzed luminol-H2O2 chemiluminescence (CL) detection. For this purpose, a moving stage was constructed to scan the chemiluminescence signal from TLC separated AuNPs. The proposed TLC-CL method allows the quantification of differently sized AuNPs (13 nm, 41 nm and 100 nm) contained in a mixture. Various experimental parameters affecting the characterization of AuNPs, such as the concentration of H2O2, the concentration and pH of the luminol solution, and the size of the spectrometer aperture were investigated. Under optimal conditions, the detection limits for AuNP size fractions of 13 nm, 41 nm and 100 nm were 38.4 μg L-1, 35.9 μg L-1 and 39.6 μg L-1, with repeatabilities (RSD, n = 7) of 7.3%, 6.9% and 8.1% respectively for 10 mg L-1 samples. The proposed method was successfully applied to the characterization of AuNP size and concentration in aqueous test samples.
Uguzzoni, Guido; John Lovis, Shalini; Oteri, Francesco; Schug, Alexander; Szurmant, Hendrik; Weigt, Martin
2017-03-28
Proteins have evolved to perform diverse cellular functions, from serving as reaction catalysts to coordinating cellular propagation and development. Frequently, proteins do not exert their full potential as monomers but rather undergo concerted interactions as either homo-oligomers or with other proteins as hetero-oligomers. The experimental study of such protein complexes and interactions has been arduous. Theoretical structure prediction methods are an attractive alternative. Here, we investigate homo-oligomeric interfaces by tracing residue coevolution via the global statistical direct coupling analysis (DCA). DCA can accurately infer spatial adjacencies between residues. These adjacencies can be included as constraints in structure prediction techniques to predict high-resolution models. By taking advantage of the ongoing exponential growth of sequence databases, we go significantly beyond anecdotal cases of a few protein families and apply DCA to a systematic large-scale study of nearly 2,000 Pfam protein families with sufficient sequence information and structurally resolved homo-oligomeric interfaces. We find that large interfaces are commonly identified by DCA. We further demonstrate that DCA can differentiate between subfamilies with different binding modes within one large Pfam family. Sequence-derived contact information for the subfamilies proves sufficient to assemble accurate structural models of the diverse protein-oligomers. Thus, we provide an approach to investigate oligomerization for arbitrary protein families leading to structural models complementary to often-difficult experimental methods. Combined with ever more abundant sequential data, we anticipate that this study will be instrumental to allow the structural description of many heteroprotein complexes in the future.
Zhu, Zhihong; García Ortíz, César Eduardo; Han, Zhanghua;
2013-01-01
We theoretically, numerically, and experimentally demonstrate that a directional coupling function can be realized with a wide bandwidth (greater than 200 nm) in dielectric-loaded surface plasmon polariton waveguides based on the multimode interference effect. The functional size of the structure...
van Hout, M.W J; van Egmond, W.M A; Franke, J.P.; de Zeeuw, R.A; de Jong, G.J.
2002-01-01
Solid-phase extraction-pipette tips (SPE-PTs) were used for micro solid-phase extraction of lidocaine and diazepam from plasma. Off-line extraction was followed by on-line desorption. On-line desorption was carried out by direct coupling of the SPE-PTs with the liner of the programmed-temperature va
This study demonstrates the value of a coupled chemical transport modeling system for investigating groundwater nitrate contamination responses associated with nitrogen (N) fertilizer application and increased corn production. The coupled Community Multiscale Air Quality Bidirect...
Multiscale Reactive Molecular Dynamics
2012-08-15
as a linear combination of several possible bond- ing topologies ( diabatic states) that are coupled to one an- other through the off-diagonal elements...adapts and dynamically identifies bonding topolo- gies to include as the simulation progresses. These bonding topologies form a basis of diabatic ...the original geometric factor. The diabatic correction term, VCORR , used here was labeled in previous MS-EVB models as a repulsive interaction, VREP
MULTISCALE THERMOHYDROLOGIC MODEL
T. Buscheck
2005-07-07
The intended purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. The goal of the MSTHM is to predict a reasonable range of possible thermal-hydrologic conditions within the emplacement drift. To be reasonable, this range includes the influence of waste-package-to-waste-package heat output variability relevant to the license application design, as well as the influence of uncertainty and variability in the geologic and hydrologic conditions relevant to predicting the thermal-hydrologic response in emplacement drifts. This goal is quite different from the goal of a model to predict a single expected thermal-hydrologic response. As a result, the development and validation of the MSTHM and the associated analyses using this model are focused on the goal of predicting a reasonable range of thermal-hydrologic conditions resulting from parametric uncertainty and waste-package-to-waste-package heat-output variability. Thermal-hydrologic conditions within emplacement drifts depend primarily on thermal-hydrologic conditions in the host rock at the drift wall and on the temperature difference between the drift wall and the drip-shield and waste-package surfaces. Thus, the ability to predict a reasonable range of relevant in-drift MSTHM output parameters (e.g., temperature and relative humidity) is based on valid predictions of thermal-hydrologic processes in the host rock, as well as valid predictions of heat-transfer processes between the drift wall and the drip-shield and waste-package surfaces. Because the invert contains crushed gravel derived from the host rock, the invert is, in effect, an extension of the host rock, with thermal and hydrologic properties that have been modified by virtue of the crushing (and the resulting
Wang, Jianhua; Hansen, Elo Harald
2002-01-01
at a sample flow rate of 6.0 ml/min The precisions (RSD) at the 0.2 mug/1 level were 4.4% (Cu) and 4.8% (Pb), respectively. The applicability of the procedure is demonstrated for the determination of copper and lead in three certified reference materials and a urine sample.......An automated sequential injection on-line preconcentration procedure for determination of trace levels of copper and lead via solvent extraction/back extraction coupled to ICP-MS is described. In citrate buffer of pH 3, neutral complexes between the analytes and the chelating reagent, ammonium...
Patrone, L.; Palacin, S.; Bourgoin, J.P
2003-05-15
Scanning tunneling microscopy experiments have been performed to compare the electronic coupling provided by S and by Se used as alligator clips for bisthiol- and biselenol-terthiophene molecules adsorbed onto gold. The molecules were inserted in a dodecanethiol (DT) self-assembled monolayer. Their apparent height above the dodecanethiol matrix was used as a measure of the electronic coupling strength corresponding to S and Se, respectively. We show that the insertion behaviors of the two molecules are qualitatively the same, and that Se provides systematically a better coupling link than S, whatever the tunneling conditions.
Siquieri, R; Doernberg, E; Emmerich, H; Schmid-Fetzer, R
2009-11-18
In this work we present experimental and theoretical investigations of the directional solidification of Al-36 wt% Ni alloy. A phase-field approach (Folch and Plapp 2005 Phys. Rev. E 72 011602) is coupled with the CALPHAD (calculation of phase diagrams) method to be able to simulate directional solidification of Al-Ni alloy including the peritectic phase Al(3)Ni. The model approach is calibrated by systematic comparison to microstructures grown under controlled conditions in directional solidification experiments. To illustrate the efficiency of the model it is employed to investigate the effect of temperature gradient on the microstructure evolution of Al-36 wt% Ni during solidification.
Caiazzo, A.; Evans, D.; Falcone, J.-L.; Hegewald, J.; Lorenz, E.; Stahl, B.; Wang, D.; Bernsdorf, J.; Chopard, B.; Gunn, J.; Hose, R.; Krafczyk, M.; Lawford, P.; Smallwood, R.; Walker, D.; Hoekstra, A.
2011-01-01
In-stent restenosis, the maladaptive response of a blood vessel to injury caused by the deployment of a stent, is a multiscale system involving a large number of biological and physical processes. We describe a Complex Automata model for in-stent restenosis, coupling bulk flow, drug diffusion, and s
Towards a Complex Automata multiscale model of in-stent restenosis
Caiazzo, A.; Evans, D.; Falcone, J.-L.; Hegewald, J.; Lorenz, E.; Stahl, B.; Wang, D.; Bernsdorf, J.; Chopard, B.; Gunn, J.; Hose, R.; Krafczyk, M.; Lawford, P.; Smallwood, R.; Walker, D.; Hoekstra, A.G.
2009-01-01
In-stent restenosis, the maladaptive response of a blood vessel to injury caused by the deployment of a stent, is a multiscale problem involving a large number of processes. We describe a Complex Automata Model for in-stent restenosis, coupling a bulk flow, drug diffusion, and smooth muscle cell mod
Multiscale Modelling and Inverse Problems
Nolen, J; Stuart, A M
2010-01-01
The need to blend observational data and mathematical models arises in many applications and leads naturally to inverse problems. Parameters appearing in the model, such as constitutive tensors, initial conditions, boundary conditions, and forcing can be estimated on the basis of observed data. The resulting inverse problems are often ill-posed and some form of regularization is required. These notes discuss parameter estimation in situations where the unknown parameters vary across multiple scales. We illustrate the main ideas using a simple model for groundwater flow. We will highlight various approaches to regularization for inverse problems, including Tikhonov and Bayesian methods. We illustrate three ideas that arise when considering inverse problems in the multiscale context. The first idea is that the choice of space or set in which to seek the solution to the inverse problem is intimately related to whether a homogenized or full multiscale solution is required. This is a choice of regularization. The ...
Mixed Generalized Multiscale Finite Element Methods and Applications
Chung, Eric T.
2015-03-03
In this paper, we present a mixed generalized multiscale finite element method (GMsFEM) for solving flow in heterogeneous media. Our approach constructs multiscale basis functions following a GMsFEM framework and couples these basis functions using a mixed finite element method, which allows us to obtain a mass conservative velocity field. To construct multiscale basis functions for each coarse edge, we design a snapshot space that consists of fine-scale velocity fields supported in a union of two coarse regions that share the common interface. The snapshot vectors have zero Neumann boundary conditions on the outer boundaries, and we prescribe their values on the common interface. We describe several spectral decompositions in the snapshot space motivated by the analysis. In the paper, we also study oversampling approaches that enhance the accuracy of mixed GMsFEM. A main idea of oversampling techniques is to introduce a small dimensional snapshot space. We present numerical results for two-phase flow and transport, without updating basis functions in time. Our numerical results show that one can achieve good accuracy with a few basis functions per coarse edge if one selects appropriate offline spaces. © 2015 Society for Industrial and Applied Mathematics.
Generalized multiscale finite element method for elasticity equations
Chung, Eric T.
2014-10-05
In this paper, we discuss the application of generalized multiscale finite element method (GMsFEM) to elasticity equation in heterogeneous media. We consider steady state elasticity equations though some of our applications are motivated by elastic wave propagation in subsurface where the subsurface properties can be highly heterogeneous and have high contrast. We present the construction of main ingredients for GMsFEM such as the snapshot space and offline spaces. The latter is constructed using local spectral decomposition in the snapshot space. The spectral decomposition is based on the analysis which is provided in the paper. We consider both continuous Galerkin and discontinuous Galerkin coupling of basis functions. Both approaches have their cons and pros. Continuous Galerkin methods allow avoiding penalty parameters though they involve partition of unity functions which can alter the properties of multiscale basis functions. On the other hand, discontinuous Galerkin techniques allow gluing multiscale basis functions without any modifications. Because basis functions are constructed independently from each other, this approach provides an advantage. We discuss the use of oversampling techniques that use snapshots in larger regions to construct the offline space. We provide numerical results to show that one can accurately approximate the solution using reduced number of degrees of freedom.
Multiscale Simulation of Electrochemical_/ Phenomena: Fuel Cells and Batteries
Voth, Gregory
2012-02-01
Results will be presented from multiscale simulations of two important systems from renewable energy technology, fuel cell proton membranes and electrochemical cells. In the first case, the solvation and transport of hydrated protons in proton exchange membranes (PEMs) such as Nafion^TM will be described using a novel multi-state reactive molecular dynamics (MD) approach. The multi-state MD methodology allows for the treatment of explicit (Grotthuss) proton shuttling and charge defect delocalization which, in turn, can strongly influence the properties of the hydrated protons in various aqueous and complex environments. The role of PEM hydration level and morphology on these properties will be further described. A new multiscale computational methodology for describing the mesoscopic features of the proton transport will also be described, which can be coupled to the results from the molecular-scale simulations. On the second topic, a computationally efficient method will be presented for the treatment of electrostatic interactions between polarizable metallic electrodes held at a constant potential and separated by an electrolyte. The method combines a fluctuating uniform electrode charge with explicit image charges to account for the polarization of the electrode by the electrolyte, and a constant uniform charge added to the fluctuating uniform electrode charge to account for the constant potential condition. The method is used to calculate electron transport rates using electron transfer theory; these rates are incorporated in a multiscale approach to model oxidation/reduction reactions in an electrochemical cell efficiently.
Moist multi-scale models for the hurricane embryo
Majda, Andrew J. [New York University; Xing, Yulong [ORNL; Mohammadian, Majid [University of Ottawa, Canada
2010-01-01
Determining the finite-amplitude preconditioned states in the hurricane embryo, which lead to tropical cyclogenesis, is a central issue in contemporary meteorology. In the embryo there is competition between different preconditioning mechanisms involving hydrodynamics and moist thermodynamics, which can lead to cyclogenesis. Here systematic asymptotic methods from applied mathematics are utilized to develop new simplified moist multi-scale models starting from the moist anelastic equations. Three interesting multi-scale models emerge in the analysis. The balanced mesoscale vortex (BMV) dynamics and the microscale balanced hot tower (BHT) dynamics involve simplified balanced equations without gravity waves for vertical vorticity amplification due to moist heat sources and incorporate nonlinear advective fluxes across scales. The BMV model is the central one for tropical cyclogenesis in the embryo. The moist mesoscale wave (MMW) dynamics involves simplified equations for mesoscale moisture fluctuations, as well as linear hydrostatic waves driven by heat sources from moisture and eddy flux divergences. A simplified cloud physics model for deep convection is introduced here and used to study moist axisymmetric plumes in the BHT model. A simple application in periodic geometry involving the effects of mesoscale vertical shear and moist microscale hot towers on vortex amplification is developed here to illustrate features of the coupled multi-scale models. These results illustrate the use of these models in isolating key mechanisms in the embryo in a simplified content.
Multiscale expansions in discrete world
Ömer Ünsal; Filiz Taşcan; Mehmet Naci Özer
2014-07-01
In this paper, we show the attainability of KdV equation from some types of nonlinear Schrödinger equation by using multiscale expansions discretely. The power of this manageable method is confirmed by applying it to two selected nonlinear Schrödinger evolution equations. This approach can also be applied to other nonlinear discrete evolution equations. All the computations have been made with Maple computer packet program.
Numerical Analysis of Multiscale Computations
Engquist, Björn; Tsai, Yen-Hsi R
2012-01-01
This book is a snapshot of current research in multiscale modeling, computations and applications. It covers fundamental mathematical theory, numerical algorithms as well as practical computational advice for analysing single and multiphysics models containing a variety of scales in time and space. Complex fluids, porous media flow and oscillatory dynamical systems are treated in some extra depth, as well as tools like analytical and numerical homogenization, and fast multipole method.
Koppol, Anantha Padmanabha Rao
contraction and expansion flow. It has been found that the algorithm shows linear speed up with the number of processors used in the parallelization and more importantly with the number of segments used in the bead-spring chain. In addition, the algorithm is approximately 50 times faster in comparison to the only existing multiscale simulation algorithm for bead-spring chains. Employing the above algorithm multiscale simulations of the 4:1:4 axisymmetric contraction and expansion flow, a prototypical complex kinematics flow have been performed using bead-spring models of varying degree of complexity. A direct comparison with the experimental measurements for this flow has shown that for the first time the pressure drop (friction drag) evolution with the flow rate is quantitatively predicted by the bead-spring models that closely capture the transient extensional viscosity of the fluid. Also, based on an energy dissipation analysis it has been shown that the variation of the pressure drop with the flow rate is controlled by the coupling between the flow and the microstructure in the extensional flow dominant region of the flow domain. This has also demonstrated that the stress conformation hysteresis behavior, which has been conjectured in previous experimental studies to play an important role in the enhancement of the pressure drop cannot always be treated as a measure of the energy dissipation that actually causes the pressure drop enhancement. The simulation results, depending on the model used to characterize the fluid, have also shown the hitherto known vortex growth pathways, including either the growth of the upstream corner vortex or the shrinkage of the upstream corner vortex coupled with the formation of a lip vortex that grows and merges with the upstream corner vortex, which then increases in size with the flow rate. Furthermore, it has been demonstrated that the upstream corner vortex as well as lip vortex growth is driven by the adverse pressure gradient
2nd International Conference on Multiscale Computational Methods for Solids and Fluids
2016-01-01
This volume contains the best papers presented at the 2nd ECCOMAS International Conference on Multiscale Computations for Solids and Fluids, held June 10-12, 2015. Topics dealt with include multiscale strategy for efficient development of scientific software for large-scale computations, coupled probability-nonlinear-mechanics problems and solution methods, and modern mathematical and computational setting for multi-phase flows and fluid-structure interaction. The papers consist of contributions by six experts who taught short courses prior to the conference, along with several selected articles from other participants dealing with complementary issues, covering both solid mechanics and applied mathematics. .
Multi-scale atmospheric environment modelling for urban areas
A. A. Baklanov
2009-04-01
Full Text Available Modern supercomputers allow realising multi-scale systems for assessment and forecasting of urban meteorology, air pollution and emergency preparedness and considering nesting with obstacle-resolved models. A multi-scale modelling system with downscaling from regional to city-scale with the Environment – HIgh Resolution Limited Area Model (Enviro-HIRLAM and to micro-scale with the obstacle-resolved Micro-scale Model for Urban Environment (M2UE is suggested and demonstrated. The M2UE validation results versus the Mock Urban Setting Trial (MUST experiment indicate satisfactory quality of the model. Necessary conditions for the choice of nested models, building descriptions, areas and resolutions of nested models are analysed. Two-way nesting (up- and down-scaling, when scale effects both directions (from the meso-scale on the micro-scale and from the micro-scale on the meso-scale, is also discussed.
Multiscale Modeling of Mesoscale and Interfacial Phenomena
Petsev, Nikolai Dimitrov
With rapidly emerging technologies that feature interfaces modified at the nanoscale, traditional macroscopic models are pushed to their limits to explain phenomena where molecular processes can play a key role. Often, such problems appear to defy explanation when treated with coarse-grained continuum models alone, yet remain prohibitively expensive from a molecular simulation perspective. A prominent example is surface nanobubbles: nanoscopic gaseous domains typically found on hydrophobic surfaces that have puzzled researchers for over two decades due to their unusually long lifetimes. We show how an entirely macroscopic, non-equilibrium model explains many of their anomalous properties, including their stability and abnormally small gas-side contact angles. From this purely transport perspective, we investigate how factors such as temperature and saturation affect nanobubbles, providing numerous experimentally testable predictions. However, recent work also emphasizes the relevance of molecular-scale phenomena that cannot be described in terms of bulk phases or pristine interfaces. This is true for nanobubbles as well, whose nanoscale heights may require molecular detail to capture the relevant physics, in particular near the bubble three-phase contact line. Therefore, there is a clear need for general ways to link molecular granularity and behavior with large-scale continuum models in the treatment of many interfacial problems. In light of this, we have developed a general set of simulation strategies that couple mesoscale particle-based continuum models to molecular regions simulated through conventional molecular dynamics (MD). In addition, we derived a transport model for binary mixtures that opens the possibility for a wide range of applications in biological and drug delivery problems, and is readily reconciled with our hybrid MD-continuum techniques. Approaches that couple multiple length scales for fluid mixtures are largely absent in the literature, and
Multiscale photosynthetic exciton transfer
Ringsmuth, A K; Stace, T M; 10.1038/nphys2332
2012-01-01
Photosynthetic light harvesting provides a natural blueprint for bioengineered and biomimetic solar energy and light detection technologies. Recent evidence suggests some individual light harvesting protein complexes (LHCs) and LHC subunits efficiently transfer excitons towards chemical reaction centers (RCs) via an interplay between excitonic quantum coherence, resonant protein vibrations, and thermal decoherence. The role of coherence in vivo is unclear however, where excitons are transferred through multi-LHC/RC aggregates over distances typically large compared with intra-LHC scales. Here we assess the possibility of long-range coherent transfer in a simple chromophore network with disordered site and transfer coupling energies. Through renormalization we find that, surprisingly, decoherence is diminished at larger scales, and long-range coherence is facilitated by chromophoric clustering. Conversely, static disorder in the site energies grows with length scale, forcing localization. Our results suggest s...
3D Multiscale Modelling of Angiogenesis and Vascular Tumour Growth
Perfahl, H.
2012-11-01
We present a three-dimensional, multiscale model of vascular tumour growth, which couples nutrient/growth factor transport, blood flow, angiogenesis, vascular remodelling, movement of and interactions between normal and tumour cells, and nutrient-dependent cell cycle dynamics within each cell. We present computational simulations which show how a vascular network may evolve and interact with tumour and healthy cells. We also demonstrate how our model may be combined with experimental data, to predict the spatio-temporal evolution of a vascular tumour.
Santos, Ilmar; Watanabe, F.Y.
2004-01-01
journal bearings (HJB). When part of hydrostatic pressure is also dynamically modified by means of hydraulic control systems, one refers to the active lubrication. The main contribution of the present theoretical work is to show that it is possible to reduce cross-coupling stiffness and increase...
Zhu, Zhihong; García Ortíz, César Eduardo; Han, Zhanghua
2013-01-01
We theoretically, numerically, and experimentally demonstrate that a directional coupling function can be realized with a wide bandwidth (greater than 200 nm) in dielectric-loaded surface plasmon polariton waveguides based on the multimode interference effect. The functional size of the structures...... is in the range of several micrometers, which is much shorter than traditional directional couplers consisting of two parallel dielectric or plasmonic metallic waveguides. In addition, 1 × 2 beam splitting and demultiplexing function was realized. Such devices with wide bandwidth and small size indicate potential...
Baldissera, Fausto G; Esposti, Roberto
2013-08-01
When coupling cyclic adduction-abduction movements of the arms in the transverse (horizontal) plane, isodirectional (ISO) coupling is less stable than antidirectional (ANTI) coupling. We proposed that such deficiency stems from the disturbing action that anticipatory postural adjustments exert on ISO coupling. To ascertain if postural adjustments differentiate ISO versus ANTI coupling coordination in other types of cyclic arm movements, we examined flexion-extension oscillations in the parasagittal plane. Oscillations of the right arm alone elicited cyclic Postural Adjustments (PAs) in the left Anterior Deltoid and Posterior Deltoid, which replicated the excitation-inhibition pattern of the prime movers right Anterior Deltoid, right Posterior Deltoid. Cyclic PAs also developed symmetrically in Erector Spinae (RES and LES) and in phase opposition in Ischiocruralis (RIC and LIC), so as to discharge to the ground both an anteroposterior force, Fy, and a moment about the vertical axis, Tz. Oscillations of both arms in ISO coupling induced symmetric PAs in both ES and IC muscles, thus generating a large Fy but no Tz. In ANTI coupling, PAs in RES and LES remained symmetric but smaller in size, while PAs in RIC and LIC were large and opposite in phase, resulting in a large Tz and small Fy. Altogether, PAs would thus favour ISO and hamper ANTI parasagittal movements because (1) in the motor pathways to the prime movers of either arm, a convergence would occur between the voluntary commands and the commands for PAs linked to the movement of the other arm, the two commands having the same sign (excitatory or inhibitory) during ISO and an opposite sign during ANTI; (2) the postural effort of trunk and leg muscles would be higher for generating Tz in ANTI than Fy in ISO. These predictions fit with the finding that coupling stability was lower in ANTI than in ISO, i.e., opposite to horizontal movements. In conclusion, in both parasagittal and horizontal arm movements, the less
Baker, K. L.; Curtin, W. A.
2016-07-01
In many problems of interest to materials scientists and engineers, the evolution of crystalline extended defects (dislocations, cracks, grain boundaries, interfaces, voids, precipitates) is controlled by the flow of point defects (interstitial/substitutional atoms and/or vacancies) through the crystal into the extended defect. Precise modeling of this behavior requires fully atomistic methods in and around the extended defect, but the flow of point defects entering the defect region can be treated by coarse-grained methods. Here, a multiscale algorithm is presented to provide this coupling. Specifically, direct accelerated molecular dynamics (AMD) of extended defect evolution is coupled to a diffusing point defect concentration field that captures the long spatial and temporal scales of point defect motion in the presence of the internal stress fields generated by the evolving defect. The algorithm is applied to study vacancy absorption into an edge dislocation in aluminum where vacancy accumulation in the core leads to nucleation of a double-jog that then operates as a sink for additional vacancies; this corresponds to the initial stages of dislocation climb modeled with explicit atomistic resolution. The method is general and so can be applied to many other problems associated with nucleation, growth, and reaction due to accumulation of point defects in crystalline materials.
The Adaptive Multi-scale Simulation Infrastructure
Tobin, William R. [Rensselaer Polytechnic Inst., Troy, NY (United States)
2015-09-01
The Adaptive Multi-scale Simulation Infrastructure (AMSI) is a set of libraries and tools developed to support the development, implementation, and execution of general multimodel simulations. Using a minimal set of simulation meta-data AMSI allows for minimally intrusive work to adapt existent single-scale simulations for use in multi-scale simulations. Support for dynamic runtime operations such as single- and multi-scale adaptive properties is a key focus of AMSI. Particular focus has been spent on the development on scale-sensitive load balancing operations to allow single-scale simulations incorporated into a multi-scale simulation using AMSI to use standard load-balancing operations without affecting the integrity of the overall multi-scale simulation.
DMS: A Package for Multiscale Molecular Dynamics
Somogyi, Endre; Ortoleva, Peter J
2013-01-01
Advances in multiscale theory and computation provide a novel paradigm for simulating many-classical particle systems. The Deductive Multiscale Simulator (DMS) is a multiscale molecular dynamics (MD) program built on two of these advances, i.e., multiscale Langevin (ML) and multiscale factorization (MF). Both capture the coevolution of the the coarse-grained (CG) state and the microstate. This provides these methods with great efficiency over conventional MD. Neither involve the introduction of phenomenological governing equations for the CG state with attendant uncertainty in both their form of the governing equations and the data needed to calibrate them. The design and implementation of DMS as an open source computational platform is presented here. DMS is written in Python, uses Gromacs to achieve the microphase, and then advances the microstate via a CG-guided evolution. DMS uses MDAnalysis, a Python library for analyzing MD trajectories, to perform computations required to construct CG-related variables...
Hansen Clint
2016-12-01
Full Text Available We explored changes in the postural preparation to stepping introduced by modifications of the initial coordinates of the center of pressure (COP. We hypothesized that the postural adjustments in the anterior-posterior direction would persist across all initial COP manipulations while the adjustments in the medio-lateral direction would be highly sensitive to the initial COP coordinate. Healthy subjects stood on a force plate, shifted the body weight to one of the initial conditions that spanned the range of COP coordinates in both directions, and initiated a single step or started to walk. No major changes were observed between the stepping and walking conditions. Changes in the initial COP coordinate in the medio-lateral direction led to scaling of the magnitude of the COP shift in that direction prior to stepping accompanied by a nearly proportional change in the COP shift in the anterior-posterior direction. Changes in the initial COP coordinate in the anterior-posterior direction led to scaling of the magnitude of the COP shift in that direction prior to stepping without consistent changes in the COP shift in the medio-lateral direction. We interpret the results as reflecting a neural organization using a small set of referent body configurations for the postural adjustments.
Donald Estep; Michael Holst; Simon Tavener
2010-02-08
This project was concerned with the accurate computational error estimation for numerical solutions of multiphysics, multiscale systems that couple different physical processes acting across a large range of scales relevant to the interests of the DOE. Multiscale, multiphysics models are characterized by intimate interactions between different physics across a wide range of scales. This poses significant computational challenges addressed by the proposal, including: (1) Accurate and efficient computation; (2) Complex stability; and (3) Linking different physics. The research in this project focused on Multiscale Operator Decomposition methods for solving multiphysics problems. The general approach is to decompose a multiphysics problem into components involving simpler physics over a relatively limited range of scales, and then to seek the solution of the entire system through some sort of iterative procedure involving solutions of the individual components. MOD is a very widely used technique for solving multiphysics, multiscale problems; it is heavily used throughout the DOE computational landscape. This project made a major advance in the analysis of the solution of multiscale, multiphysics problems.
Multiscale empirical interpolation for solving nonlinear PDEs
Calo, Victor M.
2014-12-01
In this paper, we propose a multiscale empirical interpolation method for solving nonlinear multiscale partial differential equations. The proposed method combines empirical interpolation techniques and local multiscale methods, such as the Generalized Multiscale Finite Element Method (GMsFEM). To solve nonlinear equations, the GMsFEM is used to represent the solution on a coarse grid with multiscale basis functions computed offline. Computing the GMsFEM solution involves calculating the system residuals and Jacobians on the fine grid. We use empirical interpolation concepts to evaluate these residuals and Jacobians of the multiscale system with a computational cost which is proportional to the size of the coarse-scale problem rather than the fully-resolved fine scale one. The empirical interpolation method uses basis functions which are built by sampling the nonlinear function we want to approximate a limited number of times. The coefficients needed for this approximation are computed in the offline stage by inverting an inexpensive linear system. The proposed multiscale empirical interpolation techniques: (1) divide computing the nonlinear function into coarse regions; (2) evaluate contributions of nonlinear functions in each coarse region taking advantage of a reduced-order representation of the solution; and (3) introduce multiscale proper-orthogonal-decomposition techniques to find appropriate interpolation vectors. We demonstrate the effectiveness of the proposed methods on several nonlinear multiscale PDEs that are solved with Newton\\'s methods and fully-implicit time marching schemes. Our numerical results show that the proposed methods provide a robust framework for solving nonlinear multiscale PDEs on a coarse grid with bounded error and significant computational cost reduction.
Multiscale modeling of polymer nanocomposites
Sheidaei, Azadeh
In recent years, polymer nano-composites (PNCs) have increasingly gained more attention due to their improved mechanical, barrier, thermal, optical, electrical and biodegradable properties in comparison with the conventional micro-composites or pristine polymer. With a modest addition of nanoparticles (usually less than 5wt. %), PNCs offer a wide range of improvements in moduli, strength, heat resistance, biodegradability, as well as decrease in gas permeability and flammability. Although PNCs offer enormous opportunities to design novel material systems, development of an effective numerical modeling approach to predict their properties based on their complex multi-phase and multiscale structure is still at an early stage. Developing a computational framework to predict the mechanical properties of PNC is the focus of this dissertation. A computational framework has been developed to predict mechanical properties of polymer nano-composites. In chapter 1, a microstructure inspired material model has been developed based on statistical technique and this technique has been used to reconstruct the microstructure of Halloysite nanotube (HNT) polypropylene composite. This technique also has been used to reconstruct exfoliated Graphene nanoplatelet (xGnP) polymer composite. The model was able to successfully predict the material behavior obtained from experiment. Chapter 2 is the summary of the experimental work to support the numerical work. First, different processing techniques to make the polymer nanocomposites have been reviewed. Among them, melt extrusion followed by injection molding was used to manufacture high density polyethylene (HDPE)---xGnP nanocomposties. Scanning electron microscopy (SEM) also was performed to determine particle size and distribution and to examine fracture surfaces. Particle size was measured from these images and has been used for calculating the probability density function for GNPs in chapter 1. A series of nanoindentation tests have
Pindera, Marek-Jerzy; Aboudi, Jacob
2000-01-01
The objective of this two-year project was to develop and deliver to the NASA-Glenn Research Center a two-dimensional higher-order theory, and related computer codes, for the analysis and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, brisk blades). To satisfy this objective, two-dimensional version of the higher-order theory, HOTCFGM-2D, and four computer codes based on this theory, for the analysis and design of structural components functionally graded in the radial and circumferential directions were developed in the cylindrical coordinate system r-Theta-z. This version of the higher-order theory is a significant generalization of the one-dimensional theory, HOTCFGM-1D, developed during the FY97 for the analysis and design of cylindrical structural components with radially graded microstructures. The generalized theory is applicable to thin multi-phased composite shells/cylinders subjected to steady-state thermomechanical, transient thermal and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial direction, and arbitrarily distributed in the radial and circumferential direction, thereby allowing functional grading of the internal reinforcement in the r-Theta plane. The four computer codes fgmc3dq.cylindrical.f, fgmp3dq.cylindrical.f, fgmgvips3dq.cylindrical.f, and fgmc3dq.cylindrical.transient.f are research-oriented codes for investigating the effect of functionally graded architectures, as well as the properties of the multi-phase reinforcement, in thin shells subjected to thermomechanical and inertial loading, on the internal temperature, stress and (inelastic) strain fields. The reinforcement distribution in the radial and circumferential directions is specified by the user. The thermal
Multiscale Concrete Modeling of Aging Degradation
Hammi, Yousseff [Mississippi State Univ., Mississippi State, MS (United States); Gullett, Philipp [Mississippi State Univ., Mississippi State, MS (United States); Horstemeyer, Mark F. [Mississippi State Univ., Mississippi State, MS (United States)
2015-07-31
In this work a numerical finite element framework is implemented to enable the integration of coupled multiscale and multiphysics transport processes. A User Element subroutine (UEL) in Abaqus is used to simultaneously solve stress equilibrium, heat conduction, and multiple diffusion equations for 2D and 3D linear and quadratic elements. Transport processes in concrete structures and their degradation mechanisms are presented along with the discretization of the governing equations. The multiphysics modeling framework is theoretically extended to the linear elastic fracture mechanics (LEFM) by introducing the eXtended Finite Element Method (XFEM) and based on the XFEM user element implementation of Giner et al. [2009]. A damage model that takes into account the damage contribution from the different degradation mechanisms is theoretically developed. The total contribution of damage is forwarded to a Multi-Stage Fatigue (MSF) model to enable the assessment of the fatigue life and the deterioration of reinforced concrete structures in a nuclear power plant. Finally, two examples are presented to illustrate the developed multiphysics user element implementation and the XFEM implementation of Giner et al. [2009].
Dahlke Ojennus, Deanna; Mitton-Fry, Rachel M.; Wuttke, Deborah S. [University of Colorado, Department of Chemistry and Biochemistry (United States)
1999-06-15
Large residual {sup 15}N-{sup 1}H dipolar couplings have been measured in a Src homology II domain aligned at Pf1 bacteriophage concentrations an order of magnitude lower than used for induction of a similar degree of alignment of nucleic acids and highly acidic proteins. An increase in {sup 1} H and {sup 15}N protein linewidths and a decrease in T{sub 2} and T{sub 1}{rho} relaxation time constants implicates a binding interaction between the protein and phage as the mechanism of alignment. However, the associated increased linewidth does not preclude the accurate measurement of large dipolar couplings in the aligned protein. A good correlation is observed between measured dipolar couplings and predicted values based on the high resolution NMR structure of the SH2 domain. The observation of binding-induced protein alignment promises to broaden the scope of alignment techniques by extending their applicability to proteins that are able to interact weakly with the alignment medium.
Frank, Andreas O; Freudenberger, J Christoph; Shaytan, Alexey K; Kessler, Horst; Luy, Burkhard
2015-03-01
Residual dipolar couplings are highly useful NMR parameters for calculating and refining molecular structures, dynamics, and interactions. For some applications, however, it is inevitable that the preferred orientation of a molecule in an alignment medium is calculated a priori. Several methods have been developed to predict molecular orientations and residual dipolar couplings. Being beneficial for macromolecules and selected small-molecule applications, such approaches lack sufficient accuracy for a large number of organic compounds for which the fine structure and eventually the flexibility of all involved molecules have to be considered or are limited to specific, well-studied liquid crystals. We introduce a simplified model for detailed all-atom molecular dynamics calculations with a polymer strand lined up along the principal axis as a new approach to simulate the preferred orientation of small to medium-sized solutes in polymer-based, gel-type alignment media. As is shown by a first example of strychnine in a polystyrene/CDCl3 gel, the simulations potentially enable the accurate prediction of residual dipolar couplings taking into account structural details and dynamic averaging effects of both the polymer and the solute.
Multiscale Pressure-Balanced Structures in Three-Dimensional Magnetohydrodynamic Turbulence
Yang, Liping; He, Jiansen; Tu, Chuanyi; Li, Shengtai; Zhang, Lei; Marsch, Eckart; Wang, Linghua; Wang, Xin; Feng, Xueshang
2017-02-01
Observations of solar wind turbulence indicate the existence of multiscale pressure-balanced structures (PBSs) in the solar wind. In this work, we conduct a numerical simulation to investigate multiscale PBSs and in particular their formation in compressive magnetohydrodynamic turbulence. By the use of the higher-order Godunov code Athena, a driven compressible turbulence with an imposed uniform guide field is simulated. The simulation results show that both the magnetic pressure and the thermal pressure exhibit a turbulent spectrum with a Kolmogorov-like power law, and that in many regions of the simulation domain they are anticorrelated. The computed wavelet cross-coherence spectra of the magnetic pressure and the thermal pressure, as well as their space series, indicate the existence of multiscale PBSs, with the small PBSs being embedded in the large ones. These multiscale PBSs are likely to be related to the highly oblique-propagating slow-mode waves, as the traced multiscale PBS is found to be traveling in a certain direction at a speed consistent with that predicted theoretically for a slow-mode wave propagating in the same direction.
Hybrid multiscale modeling and prediction of cancer cell behavior.
Zangooei, Mohammad Hossein; Habibi, Jafar
2017-01-01
Understanding cancer development crossing several spatial-temporal scales is of great practical significance to better understand and treat cancers. It is difficult to tackle this challenge with pure biological means. Moreover, hybrid modeling techniques have been proposed that combine the advantages of the continuum and the discrete methods to model multiscale problems. In light of these problems, we have proposed a new hybrid vascular model to facilitate the multiscale modeling and simulation of cancer development with respect to the agent-based, cellular automata and machine learning methods. The purpose of this simulation is to create a dataset that can be used for prediction of cell phenotypes. By using a proposed Q-learning based on SVR-NSGA-II method, the cells have the capability to predict their phenotypes autonomously that is, to act on its own without external direction in response to situations it encounters. Computational simulations of the model were performed in order to analyze its performance. The most striking feature of our results is that each cell can select its phenotype at each time step according to its condition. We provide evidence that the prediction of cell phenotypes is reliable. Our proposed model, which we term a hybrid multiscale modeling of cancer cell behavior, has the potential to combine the best features of both continuum and discrete models. The in silico results indicate that the 3D model can represent key features of cancer growth, angiogenesis, and its related micro-environment and show that the findings are in good agreement with biological tumor behavior. To the best of our knowledge, this paper is the first hybrid vascular multiscale modeling of cancer cell behavior that has the capability to predict cell phenotypes individually by a self-generated dataset.
Vogt, D
2008-06-01
Full Text Available published borehole radar antennas have achieved directivity by post processing data received in the frequency domain, or by constructing an aperture antenna, where borehole dimensions allowed this. In this paper, a time-domain technique is investigated...
Tong, Z.; Zhang, Y.; Zhang, Z.; Hua, H.
2007-01-01
A direct-BEM/Fem method was proposed to analyze the vibration and acoustic radiation characteristics of a submerged structure. Model parameters of the structure and the fluid-structure interaction due to surrounding water were analyzed by using FEM and direct BEM. Vibration velocity of the outer hull surface and underwater sound pressure were computed through modal superposition technique. The direct-BEM/FEM method was first validated by analyzing a submerged cylindrical shell, then was used to analyze the vibro-acoustic behavior of a submarine stern structure. The results have demonstrated the direct-BEM/FEM method is more effective than FEM in computing the underwater sound radiation of the stern structure.
Multiscale analysis of neural spike trains.
Ramezan, Reza; Marriott, Paul; Chenouri, Shojaeddin
2014-01-30
This paper studies the multiscale analysis of neural spike trains, through both graphical and Poisson process approaches. We introduce the interspike interval plot, which simultaneously visualizes characteristics of neural spiking activity at different time scales. Using an inhomogeneous Poisson process framework, we discuss multiscale estimates of the intensity functions of spike trains. We also introduce the windowing effect for two multiscale methods. Using quasi-likelihood, we develop bootstrap confidence intervals for the multiscale intensity function. We provide a cross-validation scheme, to choose the tuning parameters, and study its unbiasedness. Studying the relationship between the spike rate and the stimulus signal, we observe that adjusting for the first spike latency is important in cross-validation. We show, through examples, that the correlation between spike trains and spike count variability can be multiscale phenomena. Furthermore, we address the modeling of the periodicity of the spike trains caused by a stimulus signal or by brain rhythms. Within the multiscale framework, we introduce intensity functions for spike trains with multiplicative and additive periodic components. Analyzing a dataset from the retinogeniculate synapse, we compare the fit of these models with the Bayesian adaptive regression splines method and discuss the limitations of the methodology. Computational efficiency, which is usually a challenge in the analysis of spike trains, is one of the highlights of these new models. In an example, we show that the reconstruction quality of a complex intensity function demonstrates the ability of the multiscale methodology to crack the neural code.
Towards a Multiscale Approach to Cybersecurity Modeling
Hogan, Emilie A.; Hui, Peter SY; Choudhury, Sutanay; Halappanavar, Mahantesh; Oler, Kiri J.; Joslyn, Cliff A.
2013-11-12
We propose a multiscale approach to modeling cyber networks, with the goal of capturing a view of the network and overall situational awareness with respect to a few key properties--- connectivity, distance, and centrality--- for a system under an active attack. We focus on theoretical and algorithmic foundations of multiscale graphs, coming from an algorithmic perspective, with the goal of modeling cyber system defense as a specific use case scenario. We first define a notion of \\emph{multiscale} graphs, in contrast with their well-studied single-scale counterparts. We develop multiscale analogs of paths and distance metrics. As a simple, motivating example of a common metric, we present a multiscale analog of the all-pairs shortest-path problem, along with a multiscale analog of a well-known algorithm which solves it. From a cyber defense perspective, this metric might be used to model the distance from an attacker's position in the network to a sensitive machine. In addition, we investigate probabilistic models of connectivity. These models exploit the hierarchy to quantify the likelihood that sensitive targets might be reachable from compromised nodes. We believe that our novel multiscale approach to modeling cyber-physical systems will advance several aspects of cyber defense, specifically allowing for a more efficient and agile approach to defending these systems.
Hierarchical Multiscale Modeling of Macromolecules and their Assemblies.
Ortoleva, P; Singharoy, A; Pankavich, S
2013-04-28
Soft materials (e.g., enveloped viruses, liposomes, membranes and supercooled liquids) simultaneously deform or display collective behaviors, while undergoing atomic scale vibrations and collisions. While the multiple space-time character of such systems often makes traditional molecular dynamics simulation impractical, a multiscale approach has been presented that allows for long-time simulation with atomic detail based on the co-evolution of slowly-varying order parameters (OPs) with the quasi-equilibrium probability density of atomic configurations. However, this approach breaks down when the structural change is extreme, or when nearest-neighbor connectivity of atoms is not maintained. In the current study, a self-consistent approach is presented wherein OPs and a reference structure co-evolve slowly to yield long-time simulation for dynamical soft-matter phenomena such as structural transitions and self-assembly. The development begins with the Liouville equation for N classical atoms and an ansatz on the form of the associated N-atom probability density. Multiscale techniques are used to derive Langevin equations for the coupled OP-configurational dynamics. The net result is a set of equations for the coupled stochastic dynamics of the OPs and centers of mass of the subsystems that constitute a soft material body. The theory is based on an all-atom methodology and an interatomic force field, and therefore enables calibration-free simulations of soft matter, such as macromolecular assemblies.
Linking Futures across Scales: a Dialog on Multiscale Scenarios
Reinette Biggs
2007-06-01
Full Text Available Scenario analysis is a useful tool for exploring key uncertainties that may shape the future of social-ecological systems. This paper explores the methods, costs, and benefits of developing and linking scenarios of social-ecological systems across multiple spatial scales. Drawing largely on experiences in the Millennium Ecosystem Assessment, we suggest that the desired degree of cross-scale linkage depends on the primary aim of the scenario exercise. Loosely linked multiscale scenarios appear more appropriate when the primary aim is to engage in exploratory dialog with stakeholders. Tightly coupled cross-scale scenarios seem to work best when the main objective is to further our understanding of cross-scale interactions or to assess trade-offs between scales. The main disadvantages of tightly coupled cross-scale scenarios are that their development requires substantial time and financial resources, and that they often suffer loss of credibility at one or more scales. The reasons for developing multiscale scenarios and the expectations associated with doing so therefore need to be carefully evaluated when choosing the desired degree of cross-scale linkage in a particular scenario exercise.
Multiscale high-order/low-order (HOLO) algorithms and applications
Chacón, L.; Chen, G.; Knoll, D. A.; Newman, C.; Park, H.; Taitano, W.; Willert, J. A.; Womeldorff, G.
2017-02-01
We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.
Coco Enriquez, Luis; Muñoz Antón, Javier; Martínez-Val Peñalosa, Jose Maria
2016-01-01
In this paper a new generation line-focusing solar plants coupled to a s-CO2 Brayton power cycles are studied. These innovative CSP will increase the plant energy efficiency, and subsequently optimizing the SF effective aperture area and SF investment cost for a fixed power output. Two SF configurations were assessed: the Configuration 1 with a condenser between the SF and the Balance Of Plant (BOP), for Turbine Inlet Temperatures (TIT) up to 400oC, and the Configuration 2, for higher TIT up ...
CHARACTERISTIC DIMENSIONLESS NUMBERS IN MULTI-SCALE AND RATE-DEPENDENT PROCESSES
Yilong Bai; Mengfen Xia; Haiying Wang; Fujiu Ke
2003-01-01
Multi-scale modeling of materials properties and chemical processes has drawn great attention from science and engineering. For these multi-scale and rate-dependent processes, how to characterize their trans-scale formulation is a key point. Three questions should be addressed:● How do multi-sizes affect the problems?● How are length scales coupled with time scales?● How to identify emergence of new structure in process and its effect?For this sake, the macroscopic equations of mechanics and the kinetic equations of the microstructural transformations should form a unified set that be solved simultaneously.As a case study of coupling length and time scales, the trans-scale formulation of wave-induced damage evolution due to mesoscopic nucleation and growth is discussed. In this problem, the trans-scaling could be reduced to two independent dimensionless numbers: the imposed Deborah number De*=(ac*)/(LV*) and the intrinsic Deborah number D* = (nN*c*5)/V* , where a, L, c*, V* and nN* are wave speed, sample size, microcrack size, the rate of microcrack growth and the rate of microcrack nucleation density, respectively. Clearly, the dimensionless number De*=(ac*)/(LV*) includes length and time scales on both meso- and macro- levels and governs the progressive process.Whereas, the intrinsic Deborah number D* indicates the characteristic transition of microdamage to macroscopic rupture since D* is related to the criterion of damage localization, which is a precursor of macroscopic rupture. This case study may highlight the scaling in multi-scale and rate-dependent problems.Then, more generally, we compare some historical examples to see how trans-scale formulations were achieved and what are still open now. The comparison of various mechanisms governing the enhancement of meso-size effects reminds us of the importance of analyzing multi-scale and rate-dependent processes case by case.For multi-scale and rate-dependent processes with chemical reactions and
Noguchi, Ryo; Kuroda, Kenta; Yaji, K.; Kobayashi, K.; Sakano, M.; Harasawa, A.; Kondo, Takeshi; Komori, F.; Shin, S.
2017-01-01
We use spin- and angle-resolved photoemission spectroscopy (SARPES) combined with a polarization-variable laser and investigate the spin-orbit coupling effect under interband hybridization of Rashba spin-split states for the surface alloys Bi/Ag(111) and Bi/Cu(111). In addition to the conventional band mapping of photoemission for Rashba spin splitting, the different orbital and spin parts of the surface wave function are directly imaged into energy-momentum space. It is unambiguously revealed that the interband spin-orbit coupling modifies the spin and orbital character of the Rashba surface states leading to the enriched spin-orbital entanglement and the pronounced momentum dependence of the spin polarization. The hybridization thus strongly deviates the spin and orbital characters from the standard Rashba model. The complex spin texture under interband spin-orbit hybridization proposed by first-principles calculation is experimentally unraveled by SARPES with a combination of p - and s -polarized light.
A multi-scale model for geared transmission aero-thermodynamics
McIntyre, Sean M.
A multi-scale, multi-physics computational tool for the simulation of high-per- formance gearbox aero-thermodynamics was developed and applied to equilibrium and pathological loss-of-lubrication performance simulation. The physical processes at play in these systems include multiphase compressible ow of the air and lubricant within the gearbox, meshing kinematics and tribology, as well as heat transfer by conduction, and free and forced convection. These physics are coupled across their representative space and time scales in the computational framework developed in this dissertation. These scales span eight orders of magnitude, from the thermal response of the full gearbox O(100 m; 10 2 s), through effects at the tooth passage time scale O(10-2 m; 10-4 s), down to tribological effects on the meshing gear teeth O(10-6 m; 10-6 s). Direct numerical simulation of these coupled physics and scales is intractable. Accordingly, a scale-segregated simulation strategy was developed by partitioning and treating the contributing physical mechanisms as sub-problems, each with associated space and time scales, and appropriate coupling mechanisms. These are: (1) the long time scale thermal response of the system, (2) the multiphase (air, droplets, and film) aerodynamic flow and convective heat transfer within the gearbox, (3) the high-frequency, time-periodic thermal effects of gear tooth heating while in mesh and its subsequent cooling through the rest of rotation, (4) meshing effects including tribology and contact mechanics. The overarching goal of this dissertation was to develop software and analysis procedures for gearbox loss-of-lubrication performance. To accommodate these four physical effects and their coupling, each is treated in the CFD code as a sub problem. These physics modules are coupled algorithmically. Specifically, the high- frequency conduction analysis derives its local heat transfer coefficient and near-wall air temperature boundary conditions from a quasi
Control algorithm for multiscale flow simulations of water
Kotsalis, E. M.; Walther, Jens Honore; Kaxiras, E.
2009-01-01
. The use of a mass conserving specular wall results in turn to spurious oscillations in the density profile of the atomistic description of water. These oscillations can be eliminated by using an external boundary force that effectively accounts for the virial component of the pressure. In this Rapid......We present a multiscale algorithm to couple atomistic water models with continuum incompressible flow simulations via a Schwarz domain decomposition approach. The coupling introduces an inhomogeneity in the description of the atomistic domain and prevents the use of periodic boundary conditions...... Communication, we extend a control algorithm, previously introduced for monatomic molecules, to the case of atomistic water and demonstrate the effectiveness of this approach. The proposed computational method is validated for the cases of equilibrium and Couette flow of water....
Control algorithm for multiscale flow simulations of water
Kotsalis, Evangelos M.; Walther, Jens H.; Kaxiras, Efthimios; Koumoutsakos, Petros
2009-04-01
We present a multiscale algorithm to couple atomistic water models with continuum incompressible flow simulations via a Schwarz domain decomposition approach. The coupling introduces an inhomogeneity in the description of the atomistic domain and prevents the use of periodic boundary conditions. The use of a mass conserving specular wall results in turn to spurious oscillations in the density profile of the atomistic description of water. These oscillations can be eliminated by using an external boundary force that effectively accounts for the virial component of the pressure. In this Rapid Communication, we extend a control algorithm, previously introduced for monatomic molecules, to the case of atomistic water and demonstrate the effectiveness of this approach. The proposed computational method is validated for the cases of equilibrium and Couette flow of water.
Lee, Jun Hee; Kézsmáki, István; Fishman, Randy S.
2016-04-01
Due to the complicated magnetic and crystallographic structures of BiFeO3, its magnetoelectric (ME) couplings and microscopic model Hamiltonian remain poorly understood. By employing a first-principles approach, we uncover all possible ME couplings associated with the spin-current (SC) and exchange-striction (ES) polarizations, and construct an appropriate Hamiltonian for the long-range spin-cycloid in BiFeO3. First-principles calculations are used to understand the microscopic origins of the ME couplings. We find that inversion symmetries broken by ferroelectric and antiferroelectric distortions induce the SC and the ES polarizations, which cooperatively produce the dynamic ME effects in BiFeO3. A model motivated by first principles reproduces the absorption difference of counter-propagating light beams called non-reciprocal directional dichroism. The current paper focuses on the spin-driven (SD) polarizations produced by a dynamic electric field, i.e. the dynamic ME couplings. Due to the inertial properties of Fe, the dynamic SD polarizations differ significantly from the static SD polarizations. Our systematic approach can be generally applied to any multiferroic material, laying the foundation for revealing hidden ME couplings on the atomic scale and for exploiting optical ME effects in the next generation of technological devices such as optical diodes. This manuscript has been written by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.
Lambert Sylvie D
2012-09-01
Full Text Available Abstract Background Although it is known both patients’ and partners’ reactions to a prostate cancer diagnosis include fear, uncertainty, anxiety and depression with patients’ partners’ reactions mutually determining how they cope with and adjust to the illness, few psychosocial interventions target couples. Those that are available tend to be led by highly trained professionals, limiting their accessibility and long-term sustainability. In addition, it is recognised that patients who might benefit from conventional face-to-face psychosocial interventions do not access these, either by preference or because of geographical or mobility barriers. Self-directed interventions can overcome some of these limitations and have been shown to contribute to patient well-being. This study will examine the feasibility of a self-directed, coping skills intervention for couples affected by cancer, called Coping-Together, and begin to explore its potential impact on couples’ illness adjustment. The pilot version of Coping-Together includes a series of four booklets, a DVD, and a relaxation audio CD. Methods/design In this double-blind, two-group, parallel, randomized controlled trial, 70 couples will be recruited within 4 months of a prostate cancer diagnosis through urology private practices and randomized to: 1 Coping-Together or 2 a minimal ethical care condition. Minimal ethical care condition couples will be mailed information booklets available at the Cancer Council New South Wales and a brochure for the Cancer Council Helpline. The primary outcome (anxiety and additional secondary outcomes (distress, depression, dyadic adjustment, quality of life, illness or caregiving appraisal, self-efficacy, and dyadic and individual coping will be assessed at baseline (before receiving study material and 2 months post-baseline. Intention-to-treat and per protocol analysis will be conducted. Discussion As partners’ distress rates exceed not only population
While aerosol radiative effects have been recognized as some of the largest sources of uncertainty among the forcers of climate change, the verification of the spatial and temporal variability of the magnitude and directionality of aerosol radiative forcing has remained challengi...
罗军; 魏达秀; 肖丽
2002-01-01
We propose a simple scheme to create entangled states and realize information transmission between qubits with non-direct interactions on the basis of quantum superdense coding and swap operations. This may offer the possibility of applications in scalable quantum computers.
Zhang, Wen-mei; Wen, Huan; Lü, Huan-ming; Liu, Hui-qin; Lin, Zhi-sheng; Wang, Rong-hua
2015-03-01
A simple and accurate method was developed for determining silicon in gasoline using inductively coupled plasma optical emission spectroscopy (ICP-OES). For sample inroduction a Burgener nubulizer and a Cyclonic spray chamber were used. A gasoline sample was diluted with isooctane and then introduced into the cooled spray chamber of the ICP-OES. Good linearity was achieved in the silicon concentration range 0.1 - 10.0 mg x kg(-1), and the correlation coefficient was 0.999 96. The detection limit for silicon was 0.012 mg x kg(-1) and the silicon recoveries from gasoline samples were 95.8% - 98.4%, with relative standard deviations of less than 3.0% The method was proved to be simple, reliable and highly sensitive, and suitable for determining silicon in samples of motor gasoline, ethanol-gasoline and methanol-gasoline fuel mixtures those containing not more than 15% (V/V) oxygenates.
XIE Hualin; NIE Xidu; LI Libo; SONG Chuhua
2006-01-01
The determination of trace impurities in high purity zinc oxide by high resolution inductively coupled plasma mass spectrometry (HR-ICP-MS) was investigated. To overcome some potentially problematic spectral interference, measurements were acquired in both middle and high resolution modes. The matrix effects due to the presence of excess HCl and zinc were evaluated. The optimum conditions for the determination were tested and discussed. The standard addition method was employed for quantitative analysis. The detection limits ranged from 0.02 μg/g to 6 μg/g depending on the elements.The experimental results for the determination of Na, Mg, Ca, Cr, Mn, Fe, Co, Ni, Cu, Mo, Cd, Sb and Pb in several high purity zinc oxide powders were presented.
Spencer, Ross L. [Brigham Young University (United States)], E-mail: ross_spencer@byu.edu; Krogel, Jaron; Palmer, Jamie; Payne, Adam; Sampson, Andrew; Somers, William; Woods, Charles N. [Brigham Young University (United States)
2009-03-15
The Direct Simulation Monte Carlo algorithm has been applied to the flow of neutral argon gas through the first vacuum stage of the Inductively Coupled Plasma Mass Spectrometer. Good agreement is found between the simulation results and the equations of fluid dynamics, including the approximate hemispherical sink model of Douglas and French. The simulation reveals details of boundary layer formation in the nozzle, including a reduction in the total flow through the nozzle of about 15% from the ideal value calculated by Douglas and French.
CHEN Jun; KUANG Deng-Feng; GUI Min; FANG Zhi-Liang
2009-01-01
A simple, economical and reliable technique is proposed for fabricating a spiral phase plate (SPP) in a quartz substrate to generate optical vortex with a unit topological charge at the wavelengths of 632.8nm. The spiral phase plate is first formed in the photoresist by direct laser writing lithography and then transferred into the quartz substrate by inductively coupled plasma etching. The performance of the fabricated SPP is verified by using beam intensity distribution, which is in agreement with the theoretical calculation result. The interference measurement suggests that we have succeeded to generate opticM vortex with a unit topological charge with the fabricated SPP.
Collaborating for Multi-Scale Chemical Science
William H. Green
2006-07-14
Advanced model reduction methods were developed and integrated into the CMCS multiscale chemical science simulation software. The new technologies were used to simulate HCCI engines and burner flames with exceptional fidelity.
Multiscale soil-landscape process modeling
Schoorl, J.M.; Veldkamp, A.
2006-01-01
The general objective of this chapter is to illustrate the role of soils and geomorphological processes in the multiscale soil-lanscape context. Included in this context is the fourth dimension (temporal dimension) and the human role (fifth dimension)
Multiscale Modeling of Hall Thrusters Project
National Aeronautics and Space Administration — New multiscale modeling capability for analyzing advanced Hall thrusters is proposed. This technology offers NASA the ability to reduce development effort of new...
Multiscale Model Approach for Magnetization Dynamics Simulations
De Lucia, Andrea; Tretiakov, Oleg A; Kläui, Mathias
2016-01-01
Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a multiscale magnetization dynamics simulation approach that can be applied to large systems with spin structures that vary locally on small length scales. To implement this, the conventional micromagnetic simulation framework has been expanded to include a multiscale solving routine. The software selectively simulates different regions of a ferromagnetic sample according to the spin structures located within in order to employ a suitable discretization and use either a micromagnetic or an atomistic model. To demonstrate the validity of the multiscale approach, we simulate the spin wave transmission across the regions simulated with the two different models and different discretizations. We find that the interface between the regions is fully transparent for spin waves with f...
Vermesi, Izabella; Rein, Guillermo; Colella, Francesco
2017-01-01
directly. The feasibility analysis showed a difference of only 2% in temperature results from the published reference work that was performed with Ansys Fluent (Colella et al., 2010). The reduction in simulation time was significantly larger when using multiscale modelling than when performing multiple...
Coupled transfers; Transferts couples
Nicolas, X.; Lauriat, G.; Jimenez-Rondan, J. [Universite de Marne-la-Vallee, Lab. d' Etudes des Transferts d' Energie et de Matiere (LETEM), 77 (France); Bouali, H.; Mezrhab, A. [Faculte des Sciences, Dept. de Physique, Lab. de Mecanique et Energetique, Oujda (Morocco); Abid, C. [Ecole Polytechnique Universitaire de Marseille, IUSTI UMR 6595, 13 Marseille (France); Stoian, M.; Rebay, M.; Lachi, M.; Padet, J. [Faculte des Sciences, Lab. de Thermomecanique, UTAP, 51 - Reims (France); Mladin, E.C. [Universitaire Polytechnique Bucarest, Faculte de Genie Mecanique, Bucarest (Romania); Mezrhab, A. [Faculte des Sciences, Lab. de Mecanique et Energetique, Dept. de Physique, Oujda (Morocco); Abid, C.; Papini, F. [Ecole Polytechnique, IUSTI, 13 - Marseille (France); Lorrette, C.; Goyheneche, J.M.; Boechat, C.; Pailler, R. [Laboratoire des Composites ThermoStructuraux, UMR 5801, 33 - Pessac (France); Ben Salah, M.; Askri, F.; Jemni, A.; Ben Nasrallah, S. [Ecole Nationale d' Ingenieurs de Monastir, Lab. d' Etudes des Systemes Thermiques et Energetiques (Tunisia); Grine, A.; Desmons, J.Y.; Harmand, S. [Laboratoire de Mecanique et d' Energetique, 59 - Valenciennes (France); Radenac, E.; Gressier, J.; Millan, P. [ONERA, 31 - Toulouse (France); Giovannini, A. [Institut de Mecanique des Fluides de Toulouse, 31 (France)
2005-07-01
This session about coupled transfers gathers 30 articles dealing with: numerical study of coupled heat transfers inside an alveolar wall; natural convection/radiant heat transfer coupling inside a plugged and ventilated chimney; finite-volume modeling of the convection-conduction coupling in non-stationary regime; numerical study of the natural convection/radiant heat transfer coupling inside a partitioned cavity; modeling of the thermal conductivity of textile reinforced composites: finite element homogenization on a full periodical pattern; application of the control volume method based on non-structured finite elements to the problems of axisymmetrical radiant heat transfers in any geometries; modeling of convective transfers in transient regime on a flat plate; a conservative method for the non-stationary coupling of aero-thermal engineering codes; measurement of coupled heat transfers (forced convection/radiant transfer) inside an horizontal duct; numerical simulation of the combustion of a water-oil emulsion droplet; numerical simulation study of heat and mass transfers inside a reactor for nano-powders synthesis; reduction of a combustion and heat transfer model of a direct injection diesel engine; modeling of heat transfers inside a knocking operated spark ignition engine; heat loss inside an internal combustion engine, thermodynamical and flamelet model, composition effects of CH{sub 4}H{sub 2} mixtures; experimental study and modeling of the evolution of a flame on a solid fuel; heat transfer for laminar subsonic jet of oxygen plasma impacting an obstacle; hydrogen transport through a A-Si:H layer submitted to an hydrogen plasma: temperature effects; thermal modeling of the CO{sub 2} laser welding of a magnesium alloy; radiant heat transfer inside a 3-D environment: application of the finite volume method in association with the CK model; optimization of the infrared baking of two types of powder paints; optimization of the emission power of an infrared
Multiscale Modeling of Damage Processes in fcc Aluminum: From Atoms to Grains
Glaessgen, E. H.; Saether, E.; Yamakov, V.
2008-01-01
Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics-based modeling procedures, such as the finite element method (FEM), with MD analyses thereby reducing the region of atomic scale refinement. Such multiscale modeling strategies can be divided into two broad classifications: concurrent multiscale methods that directly incorporate an atomistic domain within a continuum domain and sequential multiscale methods that extract an averaged response from the atomistic simulation for later use as a constitutive model in a continuum analysis.
A multiscale products technique for denoising of DNA capillary electrophoresis signals
Gao, Qingwei; Lu, Yixiang; Sun, Dong; Zhang, Dexiang
2013-06-01
Since noise degrades the accuracy and precision of DNA capillary electrophoresis (CE) analysis, signal denoising is thus important to facilitate the postprocessing of CE data. In this paper, a new denoising algorithm based on dyadic wavelet transform using multiscale products is applied for the removal of the noise in the DNA CE signal. The adjacent scale wavelet coefficients are first multiplied to amplify the significant features of the CE signal while diluting noise. Then, noise is suppressed by applying a multiscale threshold to the multiscale products instead of directly to the wavelet coefficients. Finally, the noise-free CE signal is recovered from the thresholded coefficients by using inverse dyadic wavelet transform. We compare the performance of the proposed algorithm with other denoising methods applied to the synthetic CE and real CE signals. Experimental results show that the new scheme achieves better removal of noise while preserving the shape of peaks corresponding to the analytes in the sample.
Multiscale modeling of pedestrian dynamics
Cristiani, Emiliano; Tosin, Andrea
2014-01-01
This book presents mathematical models and numerical simulations of crowd dynamics. The core topic is the development of a new multiscale paradigm, which bridges the microscopic and macroscopic scales taking the most from each of them for capturing the relevant clues of complexity of crowds. The background idea is indeed that most of the complex trends exhibited by crowds are due to an intrinsic interplay between individual and collective behaviors. The modeling approach promoted in this book pursues actively this intuition and profits from it for designing general mathematical structures susceptible of application also in fields different from the inspiring original one. The book considers also the two most traditional points of view: the microscopic one, in which pedestrians are tracked individually, and the macroscopic one, in which pedestrians are assimilated to a continuum. Selected existing models are critically analyzed. The work is addressed to researchers and graduate students.