Lagrangian analysis of multiscale particulate flows with the particle finite element method

NASA Astrophysics Data System (ADS)

Oñate, Eugenio; Celigueta, Miguel Angel; Latorre, Salvador; Casas, Guillermo; Rossi, Riccardo; Rojek, Jerzy

2014-05-01

We present a Lagrangian numerical technique for the analysis of flows incorporating physical particles of different sizes. The numerical approach is based on the particle finite element method (PFEM) which blends concepts from particle-based techniques and the FEM. The basis of the Lagrangian formulation for particulate flows and the procedure for modelling the motion of small and large particles that are submerged in the fluid are described in detail. The numerical technique for analysis of this type of multiscale particulate flows using a stabilized mixed velocity-pressure formulation and the PFEM is also presented. Examples of application of the PFEM to several particulate flows problems are given.

Rough Set Approach to Incomplete Multiscale Information System

PubMed Central

Yang, Xibei; Qi, Yong; Yu, Dongjun; Yu, Hualong; Song, Xiaoning; Yang, Jingyu

2014-01-01

Multiscale information system is a new knowledge representation system for expressing the knowledge with different levels of granulations. In this paper, by considering the unknown values, which can be seen everywhere in real world applications, the incomplete multiscale information system is firstly investigated. The descriptor technique is employed to construct rough sets at different scales for analyzing the hierarchically structured data. The problem of unravelling decision rules at different scales is also addressed. Finally, the reduct descriptors are formulated to simplify decision rules, which can be derived from different scales. Some numerical examples are employed to substantiate the conceptual arguments. PMID:25276852

An Overview of the State of the Art in Atomistic and Multiscale Simulation of Fracture

NASA Technical Reports Server (NTRS)

Saether, Erik; Yamakov, Vesselin; Phillips, Dawn R.; Glaessgen, Edward H.

2009-01-01

The emerging field of nanomechanics is providing a new focus in the study of the mechanics of materials, particularly in simulating fundamental atomic mechanisms involved in the initiation and evolution of damage. Simulating fundamental material processes using first principles in physics strongly motivates the formulation of computational multiscale methods to link macroscopic failure to the underlying atomic processes from which all material behavior originates. This report gives an overview of the state of the art in applying concurrent and sequential multiscale methods to analyze damage and failure mechanisms across length scales.

A Multi-scale Refined Zigzag Theory for Multilayered Composite and Sandwich Plates with Improved Transverse Shear Stresses

NASA Technical Reports Server (NTRS)

Iurlaro, Luigi; Gherlone, Marco; Di Sciuva, Marco; Tessler, Alexander

2013-01-01

The Refined Zigzag Theory (RZT) enables accurate predictions of the in-plane displacements, strains, and stresses. The transverse shear stresses obtained from constitutive equations are layer-wise constant. Although these transverse shear stresses are generally accurate in the average, layer-wise sense, they are nevertheless discontinuous at layer interfaces, and thus they violate the requisite interlaminar continuity of transverse stresses. Recently, Tessler applied Reissner's mixed variational theorem and RZT kinematic assumptions to derive an accurate and efficient shear-deformation theory for homogeneous, laminated composite, and sandwich beams, called RZT(m), where "m" stands for "mixed". Herein, the RZT(m) for beams is extended to plate analysis, where two alternative assumptions for the transverse shear stresses field are examined: the first follows Tessler's formulation, whereas the second is based on Murakami's polynomial approach. Results for elasto-static simply supported and cantilever plates demonstrate that Tessler's formulation results in a powerful and efficient structural theory that is well-suited for the analysis of multilayered composite and sandwich panels.

Multi-scale spatial controls of understory vegetation in Douglas-fir–western hemlock forests of western Oregon, USA

Treesearch

Julia I. Burton; Lisa M. Ganio; Klaus J. Puettmann

2014-01-01

Forest understory vegetation is influenced by broad-scale variation in climate, intermediate scale variation in topography, disturbance and neighborhood interactions. However, little is known about how these multi-scale controls interact to influence observed spatial patterns. We examined relationships between the aggregated cover of understory plant species (%...

Multiscale structure of time series revealed by the monotony spectrum.

PubMed

Vamoş, Călin

2017-03-01

Observation of complex systems produces time series with specific dynamics at different time scales. The majority of the existing numerical methods for multiscale analysis first decompose the time series into several simpler components and the multiscale structure is given by the properties of their components. We present a numerical method which describes the multiscale structure of arbitrary time series without decomposing them. It is based on the monotony spectrum defined as the variation of the mean amplitude of the monotonic segments with respect to the mean local time scale during successive averagings of the time series, the local time scales being the durations of the monotonic segments. The maxima of the monotony spectrum indicate the time scales which dominate the variations of the time series. We show that the monotony spectrum can correctly analyze a diversity of artificial time series and can discriminate the existence of deterministic variations at large time scales from the random fluctuations. As an application we analyze the multifractal structure of some hydrological time series.

Multi-scale drivers of spatial variation in old-growth forest carbon density disentangled with Lidar and an individual-based landscape model

Treesearch

Rupert Seidl; Thomas A. Spies; Werner Rammer; E. Ashley Steel; Robert J. Pabst; Keith. Olsen

2012-01-01

Forest ecosystems are the most important terrestrial carbon (C) storage globally, and presently mitigate anthropogenic climate change by acting as a large and persistent sink for atmospheric CO2. Yet, forest C density varies greatly in space, both globally and at stand and landscape levels. Understanding the multi-scale drivers of this variation...

A fast solver for the Helmholtz equation based on the generalized multiscale finite-element method

NASA Astrophysics Data System (ADS)

Fu, Shubin; Gao, Kai

2017-11-01

Conventional finite-element methods for solving the acoustic-wave Helmholtz equation in highly heterogeneous media usually require finely discretized mesh to represent the medium property variations with sufficient accuracy. Computational costs for solving the Helmholtz equation can therefore be considerably expensive for complicated and large geological models. Based on the generalized multiscale finite-element theory, we develop a novel continuous Galerkin method to solve the Helmholtz equation in acoustic media with spatially variable velocity and mass density. Instead of using conventional polynomial basis functions, we use multiscale basis functions to form the approximation space on the coarse mesh. The multiscale basis functions are obtained from multiplying the eigenfunctions of a carefully designed local spectral problem with an appropriate multiscale partition of unity. These multiscale basis functions can effectively incorporate the characteristics of heterogeneous media's fine-scale variations, thus enable us to obtain accurate solution to the Helmholtz equation without directly solving the large discrete system formed on the fine mesh. Numerical results show that our new solver can significantly reduce the dimension of the discrete Helmholtz equation system, and can also obviously reduce the computational time.

Multiscale modeling and simulation of brain blood flow

NASA Astrophysics Data System (ADS)

Perdikaris, Paris; Grinberg, Leopold; Karniadakis, George Em

2016-02-01

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.

The Uncertainty of Long-term Linear Trend in Global SST Due to Internal Variation

NASA Astrophysics Data System (ADS)

Lian, Tao

2016-04-01

In most parts of the global ocean, the magnitude of the long-term linear trend in sea surface temperature (SST) is much smaller than the amplitude of local multi-scale internal variation. One can thus use the record of a specified period to arbitrarily determine the value and the sign of the long-term linear trend in regional SST, and further leading to controversial conclusions on how global SST responds to global warming in the recent history. Analyzing the linear trend coefficient estimated by the ordinary least-square method indicates that the linear trend consists of two parts: One related to the long-term change, and the other related to the multi-scale internal variation. The sign of the long-term change can be correctly reproduced only when the magnitude of the linear trend coefficient is greater than a theoretical threshold which scales the influence from the multi-scale internal variation. Otherwise, the sign of the linear trend coefficient will depend on the phase of the internal variation, or in the other words, the period being used. An improved least-square method is then proposed to reduce the theoretical threshold. When apply the new method to a global SST reconstruction from 1881 to 2013, we find that in a large part of Pacific, the southern Indian Ocean and North Atlantic, the influence from the multi-scale internal variation on the sign of the linear trend coefficient can-not be excluded. Therefore, the resulting warming or/and cooling linear trends in these regions can-not be fully assigned to global warming.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

NASA Astrophysics Data System (ADS)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kou, Jisheng; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from themore » microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.« less

Differential Geometry Based Multiscale Models

PubMed Central

Wei, Guo-Wei

2010-01-01

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 atom-istic 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 coupled to generalized Navier–Stokes equations for fluid dynamics, Newton's equation for molecular dynamics, and potential and surface driving geometric flows for the micro-macro interface. For excessively large aqueous macromolecular complexes in chemistry and biology, we further develop differential geometry based multiscale fluid-electro-elastic models to replace the expensive molecular dynamics description with an alternative elasticity formulation. PMID:20169418

Beyond Low Rank + Sparse: Multi-scale Low Rank Matrix Decomposition

PubMed Central

Ong, Frank; Lustig, Michael

2016-01-01

We present a natural generalization of the recent low rank + sparse matrix decomposition and consider the decomposition of matrices into components of multiple scales. Such decomposition is well motivated in practice as data matrices often exhibit local correlations in multiple scales. Concretely, we propose a multi-scale low rank modeling that represents a data matrix as a sum of block-wise low rank matrices with increasing scales of block sizes. We then consider the inverse problem of decomposing the data matrix into its multi-scale low rank components and approach the problem via a convex formulation. Theoretically, we show that under various incoherence conditions, the convex program recovers the multi-scale low rank components either exactly or approximately. Practically, we provide guidance on selecting the regularization parameters and incorporate cycle spinning to reduce blocking artifacts. Experimentally, we show that the multi-scale low rank decomposition provides a more intuitive decomposition than conventional low rank methods and demonstrate its effectiveness in four applications, including illumination normalization for face images, motion separation for surveillance videos, multi-scale modeling of the dynamic contrast enhanced magnetic resonance imaging and collaborative filtering exploiting age information. PMID:28450978

Multiscale high-order/low-order (HOLO) algorithms and applications

NASA Astrophysics Data System (ADS)

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.

Time irreversibility of financial time series based on higher moments and multiscale Kullback-Leibler divergence

NASA Astrophysics Data System (ADS)

Li, Jinyang; Shang, Pengjian

2018-07-01

Irreversibility is an important property of time series. In this paper, we propose the higher moments and multiscale Kullback-Leibler divergence to analyze time series irreversibility. The higher moments Kullback-Leibler divergence (HMKLD) can amplify irreversibility and make the irreversibility variation more obvious. Therefore, many time series whose irreversibility is hard to be found are also able to show the variations. We employ simulated data and financial stock data to test and verify this method, and find that HMKLD of stock data is growing in the form of fluctuations. As for multiscale Kullback-Leibler divergence (MKLD), it is very complex in the dynamic system, so that exploring the law of simulation and stock system is difficult. In conventional multiscale entropy method, the coarse-graining process is non-overlapping, however we apply a different coarse-graining process and obtain a surprising discovery. The result shows when the scales are 4 and 5, their entropy is nearly similar, which demonstrates MKLD is efficient to display characteristics of time series irreversibility.

On Raviart-Thomas and VMS formulations for flow in heterogeneous materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turner, Daniel Zack

It is well known that the continuous Galerkin method (in its standard form) is not locally conservative, yet many stabilized methods are constructed by augmenting the standard Galerkin weak form. In particular, the Variational Multiscale (VMS) method has achieved popularity for combating numerical instabilities that arise for mixed formulations that do not otherwise satisfy the LBB condition. Among alternative methods that satisfy local and global conservation, many employ Raviart-Thomas function spaces. The lowest order Raviart-Thomas finite element formulation (RT0) consists of evaluating fluxes over the midpoint of element edges and constant pressures within the element. Although the RT0 element posesmore » many advantages, it has only been shown viable for triangular or tetrahedral elements (quadrilateral variants of this method do not pass the patch test). In the context of heterogenous materials, both of these methods have been used to model the mixed form of the Darcy equation. This work aims, in a comparative fashion, to evaluate the strengths and weaknesses of either approach for modeling Darcy flow for problems with highly varying material permeabilities and predominantly open flow boundary conditions. Such problems include carbon sequestration and enhanced oil recovery simulations for which the far-field boundary is typically described with some type of pressure boundary condition. We intend to show the degree to which the VMS formulation violates local mass conservation for these types of problems and compare the performance of the VMS and RT0 methods at boundaries between disparate permeabilities.« less

Uncertainty in detecting trend: a new criterion and its applications to global SST

NASA Astrophysics Data System (ADS)

Lian, Tao

2017-10-01

In most parts of the global ocean, the magnitude of the long-term linear trend in sea surface temperature (SST) is much smaller than the amplitude of multi-scale internal variation. One can thus use a specific period in a much longer record to arbitrarily determine the sign of long-term trend, which is statistically significant, in regional SST. This could lead to a controversial conclusion on how global SST responded to the anthropogenic forcing in the recent history. In this study, the uncertainty in the linear trend due to multi-scale internal variation is theoretically investigated. It is found that the "estimated" trend will not change its sign only when its magnitude is greater than a theoretical threshold that scales the influence from the multi-scale internal variation. Otherwise, the sign of the "estimated" trend may depend on the period used. The new criterion is found to be superior over the existing methods when the de-trended time series is dominated by the oscillatory term. Applying this new criterion to a global SST reconstruction from 1881 to 2013 reveals that the influences from multi-scale internal variation on the sign of "estimated" linear trend cannot be excluded in most parts of the Pacific, the southern Indian Ocean and the northern Atlantic; therefore, the warming or/and cooling trends found in these regions cannot be interpreted as the consequences of anthropogenic forcing. It's also suggested that the recent hiatus can be explained by combined uncertainty from internal variations at the interannual and decadal time scales.

Uncertainty in Detecting Trend: A New Criterion and Its Applications to Global SST

NASA Astrophysics Data System (ADS)

Lian, Tao

2017-04-01

In most parts of the global ocean, the magnitude of the long-term linear trend in sea surface temperature (SST) is much smaller than the amplitude of multi-scale internal variation. One can thus use a specific period in a much longer record to arbitrarily determine the sign of long-term trend, which is statistically significant, in regional SST. This could lead to a controversial conclusion on how global SST responded to the anthropogenic forcing in the recent history. In this study, the uncertainty in the linear trend due to multi-scale internal variation is theoretically investigated. It is found that the "estimated" trend will not change its sign only when its magnitude is greater than a theoretical threshold that scales the influence from the multi-scale internal variation. Otherwise, the sign of the "estimated" trend may depend on the period used. The new criterion is found to be superior over the existing methods when the de-trended time series is dominated by the oscillatory term. Applying this new criterion to a global SST reconstruction from 1881 to 2013 reveals that the influences from multi-scale internal variation on the sign of "estimated" linear trend cannot be excluded in most parts of the Pacific, the southern Indian Ocean and the northern Atlantic; therefore, the warming or/and cooling trends found in these regions cannot be interpreted as the consequences of anthropogenic forcing. It's also suggested that the recent hiatus can be explained by combined uncertainty from internal variations at the interannual and decadal time scales.

Stochastic partial differential fluid equations as a diffusive limit of deterministic Lagrangian multi-time dynamics.

PubMed

Cotter, C J; Gottwald, G A; Holm, D D

2017-09-01

In Holm (Holm 2015 Proc. R. Soc. A 471 , 20140963. (doi:10.1098/rspa.2014.0963)), stochastic fluid equations were derived by employing a variational principle with an assumed stochastic Lagrangian particle dynamics. Here we show that the same stochastic Lagrangian dynamics naturally arises in a multi-scale decomposition of the deterministic Lagrangian flow map into a slow large-scale mean and a rapidly fluctuating small-scale map. We employ homogenization theory to derive effective slow stochastic particle dynamics for the resolved mean part, thereby obtaining stochastic fluid partial equations in the Eulerian formulation. To justify the application of rigorous homogenization theory, we assume mildly chaotic fast small-scale dynamics, as well as a centring condition. The latter requires that the mean of the fluctuating deviations is small, when pulled back to the mean flow.

Nonholonomic Hamiltonian Method for Meso-macroscale Simulations of Reacting Shocks

NASA Astrophysics Data System (ADS)

Fahrenthold, Eric; Lee, Sangyup

2015-06-01

The seamless integration of macroscale, mesoscale, and molecular scale models of reacting shock physics has been hindered by dramatic differences in the model formulation techniques normally used at different scales. In recent research the authors have developed the first unified discrete Hamiltonian approach to multiscale simulation of reacting shock physics. Unlike previous work, the formulation employs reacting themomechanical Hamiltonian formulations at all scales, including the continuum. Unlike previous work, the formulation employs a nonholonomic modeling approach to systematically couple the models developed at all scales. Example applications of the method show meso-macroscale shock to detonation simulations in nitromethane and RDX. Research supported by the Defense Threat Reduction Agency.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perdikaris, Paris, E-mail: parisp@mit.edu; Grinberg, Leopold, E-mail: leopoldgrinberg@us.ibm.com; Karniadakis, George Em, E-mail: george-karniadakis@brown.edu

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 takingmore » 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.« less

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

PubMed

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

A multiscale approach to accelerate pore-scale simulation of porous electrodes

NASA Astrophysics Data System (ADS)

Zheng, Weibo; Kim, Seung Hyun

2017-04-01

A new method to accelerate pore-scale simulation of porous electrodes is presented. The method combines the macroscopic approach with pore-scale simulation by decomposing a physical quantity into macroscopic and local variations. The multiscale method is applied to the potential equation in pore-scale simulation of a Proton Exchange Membrane Fuel Cell (PEMFC) catalyst layer, and validated with the conventional approach for pore-scale simulation. Results show that the multiscale scheme substantially reduces the computational cost without sacrificing accuracy.

Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Thomas; Efendiev, Yalchin; Tchelepi, Hamdi

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-scalemore » 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.« less

Multiscale analysis and computation for flows in heterogeneous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Efendiev, Yalchin; Hou, T. Y.; Durlofsky, L. J.

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-scalemore » 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. Below, we present a brief overview of each of these contributions.« less

Multiscale high-order/low-order (HOLO) algorithms and applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chacon, Luis; Chen, Guangye; Knoll, Dana Alan

Here, 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. Themore » 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.« less

Multiscale high-order/low-order (HOLO) algorithms and applications

DOE PAGES

Chacon, Luis; Chen, Guangye; Knoll, Dana Alan; ...

2016-11-11

Here, 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. Themore » 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.« less

A Multiscale, Nonlinear, Modeling Framework Enabling the Design and Analysis of Composite Materials and Structures

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Arnold, Steven M.

2012-01-01

A framework for the multiscale design and analysis of composite materials and structures is presented. The ImMAC software suite, developed at NASA Glenn Research Center, embeds efficient, nonlinear micromechanics capabilities within higher scale structural analysis methods such as finite element analysis. The result is an integrated, multiscale tool that relates global loading to the constituent scale, captures nonlinearities at this scale, and homogenizes local nonlinearities to predict their effects at the structural scale. Example applications of the multiscale framework are presented for the stochastic progressive failure of a SiC/Ti composite tensile specimen and the effects of microstructural variations on the nonlinear response of woven polymer matrix composites.

A Multiscale, Nonlinear, Modeling Framework Enabling the Design and Analysis of Composite Materials and Structures

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Arnold, Steven M.

2011-01-01

A framework for the multiscale design and analysis of composite materials and structures is presented. The ImMAC software suite, developed at NASA Glenn Research Center, embeds efficient, nonlinear micromechanics capabilities within higher scale structural analysis methods such as finite element analysis. The result is an integrated, multiscale tool that relates global loading to the constituent scale, captures nonlinearities at this scale, and homogenizes local nonlinearities to predict their effects at the structural scale. Example applications of the multiscale framework are presented for the stochastic progressive failure of a SiC/Ti composite tensile specimen and the effects of microstructural variations on the nonlinear response of woven polymer matrix composites.

Global sensitivity analysis of multiscale properties of porous materials

NASA Astrophysics Data System (ADS)

Um, Kimoon; Zhang, Xuan; Katsoulakis, Markos; Plechac, Petr; Tartakovsky, Daniel M.

2018-02-01

Ubiquitous uncertainty about pore geometry inevitably undermines the veracity of pore- and multi-scale simulations of transport phenomena in porous media. It raises two fundamental issues: sensitivity of effective material properties to pore-scale parameters and statistical parameterization of Darcy-scale models that accounts for pore-scale uncertainty. Homogenization-based maps of pore-scale parameters onto their Darcy-scale counterparts facilitate both sensitivity analysis (SA) and uncertainty quantification. We treat uncertain geometric characteristics of a hierarchical porous medium as random variables to conduct global SA and to derive probabilistic descriptors of effective diffusion coefficients and effective sorption rate. Our analysis is formulated in terms of solute transport diffusing through a fluid-filled pore space, while sorbing to the solid matrix. Yet it is sufficiently general to be applied to other multiscale porous media phenomena that are amenable to homogenization.

A Multi-Scale Method for Dynamics Simulation in Continuum Solvent Models I: Finite-Difference Algorithm for Navier-Stokes Equation.

PubMed

Xiao, Li; Cai, Qin; Li, Zhilin; Zhao, Hongkai; Luo, Ray

2014-11-25

A multi-scale framework is proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent. This article reports our initial efforts to formulate the physical concepts necessary for coupling the two mechanics and develop a 3D numerical algorithm to simulate the solvent fluid via the Navier-Stokes equation. The numerical algorithm was validated with multiple test cases. The validation shows that the algorithm is effective and stable, with observed accuracy consistent with our design.

Multiscale 3-D shape representation and segmentation using spherical wavelets.

PubMed

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2007-04-01

This paper presents a novel multiscale shape representation and segmentation algorithm based on the spherical wavelet transform. This work is motivated by the need to compactly and accurately encode variations at multiple scales in the shape representation in order to drive the segmentation and shape analysis of deep brain structures, such as the caudate nucleus or the hippocampus. Our proposed shape representation can be optimized to compactly encode shape variations in a population at the needed scale and spatial locations, enabling the construction of more descriptive, nonglobal, nonuniform shape probability priors to be included in the segmentation and shape analysis framework. In particular, this representation addresses the shortcomings of techniques that learn a global shape prior at a single scale of analysis and cannot represent fine, local variations in a population of shapes in the presence of a limited dataset. Specifically, our technique defines a multiscale parametric model of surfaces belonging to the same population using a compact set of spherical wavelets targeted to that population. We further refine the shape representation by separating into groups wavelet coefficients that describe independent global and/or local biological variations in the population, using spectral graph partitioning. We then learn a prior probability distribution induced over each group to explicitly encode these variations at different scales and spatial locations. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior for segmentation. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to two different brain structures, the caudate nucleus and the hippocampus, of interest in the study of schizophrenia. We show: 1) a reconstruction task of a test set to validate the expressiveness of our multiscale prior and 2) a segmentation task. In the reconstruction task, our results show that for a given training set size, our algorithm significantly improves the approximation of shapes in a testing set over the Point Distribution Model, which tends to oversmooth data. In the segmentation task, our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm, by capturing finer shape details.

Multiscale 3-D Shape Representation and Segmentation Using Spherical Wavelets

PubMed Central

Nain, Delphine; Haker, Steven; Bobick, Aaron

2013-01-01

This paper presents a novel multiscale shape representation and segmentation algorithm based on the spherical wavelet transform. This work is motivated by the need to compactly and accurately encode variations at multiple scales in the shape representation in order to drive the segmentation and shape analysis of deep brain structures, such as the caudate nucleus or the hippocampus. Our proposed shape representation can be optimized to compactly encode shape variations in a population at the needed scale and spatial locations, enabling the construction of more descriptive, nonglobal, nonuniform shape probability priors to be included in the segmentation and shape analysis framework. In particular, this representation addresses the shortcomings of techniques that learn a global shape prior at a single scale of analysis and cannot represent fine, local variations in a population of shapes in the presence of a limited dataset. Specifically, our technique defines a multiscale parametric model of surfaces belonging to the same population using a compact set of spherical wavelets targeted to that population. We further refine the shape representation by separating into groups wavelet coefficients that describe independent global and/or local biological variations in the population, using spectral graph partitioning. We then learn a prior probability distribution induced over each group to explicitly encode these variations at different scales and spatial locations. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior for segmentation. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to two different brain structures, the caudate nucleus and the hippocampus, of interest in the study of schizophrenia. We show: 1) a reconstruction task of a test set to validate the expressiveness of our multiscale prior and 2) a segmentation task. In the reconstruction task, our results show that for a given training set size, our algorithm significantly improves the approximation of shapes in a testing set over the Point Distribution Model, which tends to oversmooth data. In the segmentation task, our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm, by capturing finer shape details. PMID:17427745

Multiscale measurement error models for aggregated small area health data.

PubMed

Aregay, Mehreteab; Lawson, Andrew B; Faes, Christel; Kirby, Russell S; Carroll, Rachel; Watjou, Kevin

2016-08-01

Spatial data are often aggregated from a finer (smaller) to a coarser (larger) geographical level. The process of data aggregation induces a scaling effect which smoothes the variation in the data. To address the scaling problem, multiscale models that link the convolution models at different scale levels via the shared random effect have been proposed. One of the main goals in aggregated health data is to investigate the relationship between predictors and an outcome at different geographical levels. In this paper, we extend multiscale models to examine whether a predictor effect at a finer level hold true at a coarser level. To adjust for predictor uncertainty due to aggregation, we applied measurement error models in the framework of multiscale approach. To assess the benefit of using multiscale measurement error models, we compare the performance of multiscale models with and without measurement error in both real and simulated data. We found that ignoring the measurement error in multiscale models underestimates the regression coefficient, while it overestimates the variance of the spatially structured random effect. On the other hand, accounting for the measurement error in multiscale models provides a better model fit and unbiased parameter estimates. © The Author(s) 2016.

Stochastic partial differential fluid equations as a diffusive limit of deterministic Lagrangian multi-time dynamics

PubMed Central

Cotter, C. J.

2017-01-01

In Holm (Holm 2015 Proc. R. Soc. A 471, 20140963. (doi:10.1098/rspa.2014.0963)), stochastic fluid equations were derived by employing a variational principle with an assumed stochastic Lagrangian particle dynamics. Here we show that the same stochastic Lagrangian dynamics naturally arises in a multi-scale decomposition of the deterministic Lagrangian flow map into a slow large-scale mean and a rapidly fluctuating small-scale map. We employ homogenization theory to derive effective slow stochastic particle dynamics for the resolved mean part, thereby obtaining stochastic fluid partial equations in the Eulerian formulation. To justify the application of rigorous homogenization theory, we assume mildly chaotic fast small-scale dynamics, as well as a centring condition. The latter requires that the mean of the fluctuating deviations is small, when pulled back to the mean flow. PMID:28989316

Modeling crack propagation in polycrystalline microstructure using variational multiscale method

DOE PAGES

Sun, Shang; Sundararaghavan, Veera

2016-01-01

Crack propagation in a polycrystalline microstructure is analyzed using a novel multiscale model. The model includes an explicit microstructural representation at critical regions (stress concentrators such as notches and cracks) and a reduced order model that statistically captures the microstructure at regions far away from stress concentrations. Crack propagation is modeled in these critical regions using the variational multiscale method. In this approach, a discontinuous displacement field is added to elements that exceed the critical values of normal or tangential tractions during loading. Compared to traditional cohesive zone modeling approaches, the method does not require the use of any specialmore » interface elements in the microstructure and thus can model arbitrary crack paths. As a result, the capability of the method in predicting both intergranular and transgranular failure modes in an elastoplastic polycrystal is demonstrated under tensile and three-point bending loads.« less

ATMOSPHERIC MERCURY SIMULATION USING THE CMAQ MODEL: FORMULATION DESCRIPTION AND ANALYSIS OF WET DEPOSITION RESULTS

EPA Science Inventory

The Community Multiscale Air Quality (CMAQ) modeling system has recently been adapted to simulate the emission, transport, transformation and deposition of atmospheric mercury in three distinct forms; elemental mercury gas, reactive gaseous mercury, and particulate mercury. Emis...

A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

NASA Astrophysics Data System (ADS)

Matouš, Karel; Geers, Marc G. D.; Kouznetsova, Varvara G.; Gillman, Andrew

2017-02-01

Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matouš, Karel, E-mail: kmatous@nd.edu; Geers, Marc G.D.; Kouznetsova, Varvara G.

2017-02-01

Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platformmore » in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.« less

Control of Thermo-Acoustics Instabilities: The Multi-Scale Extended Kalman Approach

NASA Technical Reports Server (NTRS)

Le, Dzu K.; DeLaat, John C.; Chang, Clarence T.

2003-01-01

"Multi-Scale Extended Kalman" (MSEK) is a novel model-based control approach recently found to be effective for suppressing combustion instabilities in gas turbines. A control law formulated in this approach for fuel modulation demonstrated steady suppression of a high-frequency combustion instability (less than 500Hz) in a liquid-fuel combustion test rig under engine-realistic conditions. To make-up for severe transport-delays on control effect, the MSEK controller combines a wavelet -like Multi-Scale analysis and an Extended Kalman Observer to predict the thermo-acoustic states of combustion pressure perturbations. The commanded fuel modulation is composed of a damper action based on the predicted states, and a tones suppression action based on the Multi-Scale estimation of thermal excitations and other transient disturbances. The controller performs automatic adjustments of the gain and phase of these actions to minimize the Time-Scale Averaged Variances of the pressures inside the combustion zone and upstream of the injector. The successful demonstration of Active Combustion Control with this MSEK controller completed an important NASA milestone for the current research in advanced combustion technologies.

Tracking Virus Particles in Fluorescence Microscopy Images Using Multi-Scale Detection and Multi-Frame Association.

PubMed

Jaiswal, Astha; Godinez, William J; Eils, Roland; Lehmann, Maik Jorg; Rohr, Karl

2015-11-01

Automatic fluorescent particle tracking is an essential task to study the dynamics of a large number of biological structures at a sub-cellular level. We have developed a probabilistic particle tracking approach based on multi-scale detection and two-step multi-frame association. The multi-scale detection scheme allows coping with particles in close proximity. For finding associations, we have developed a two-step multi-frame algorithm, which is based on a temporally semiglobal formulation as well as spatially local and global optimization. In the first step, reliable associations are determined for each particle individually in local neighborhoods. In the second step, the global spatial information over multiple frames is exploited jointly to determine optimal associations. The multi-scale detection scheme and the multi-frame association finding algorithm have been combined with a probabilistic tracking approach based on the Kalman filter. We have successfully applied our probabilistic tracking approach to synthetic as well as real microscopy image sequences of virus particles and quantified the performance. We found that the proposed approach outperforms previous approaches.

Earth rotation and ENSO events: combined excitation of interannual LOD variations by multiscale atmospheric oscillations

NASA Astrophysics Data System (ADS)

Zheng, Dawei; Ding, Xiaoli; Zhou, Yonghong; Chen, Yongqi

2003-03-01

Time series of the length of day characterizing the rate of Earth rotation, the atmospheric angular momentum and the Southern Oscillation Index from 1962 to 2000 are used to reexamine the relationships between the ENSO events and the changes in the length of day, as well as the global atmospheric angular momentum. Particular attention is given to the different effects of the 1982-1983 and 1997-1998 ENSO events on the variations of Earth rotation. The combined effects of multiscale atmospheric oscillations (seasonal, quasi-biennial and ENSO time scales) on the anomalous variations of the interannual rates of Earth rotation are revealed in this paper by studying the wavelet spectra of the data series.

Multiscale Granger causality

NASA Astrophysics Data System (ADS)

Faes, Luca; Nollo, Giandomenico; Stramaglia, Sebastiano; Marinazzo, Daniele

2017-10-01

In the study of complex physical and biological systems represented by multivariate stochastic processes, an issue of great relevance is the description of the system dynamics spanning multiple temporal scales. While methods to assess the dynamic complexity of individual processes at different time scales are well established, multiscale analysis of directed interactions has never been formalized theoretically, and empirical evaluations are complicated by practical issues such as filtering and downsampling. Here we extend the very popular measure of Granger causality (GC), a prominent tool for assessing directed lagged interactions between joint processes, to quantify information transfer across multiple time scales. We show that the multiscale processing of a vector autoregressive (AR) process introduces a moving average (MA) component, and describe how to represent the resulting ARMA process using state space (SS) models and to combine the SS model parameters for computing exact GC values at arbitrarily large time scales. We exploit the theoretical formulation to identify peculiar features of multiscale GC in basic AR processes, and demonstrate with numerical simulations the much larger estimation accuracy of the SS approach compared to pure AR modeling of filtered and downsampled data. The improved computational reliability is exploited to disclose meaningful multiscale patterns of information transfer between global temperature and carbon dioxide concentration time series, both in paleoclimate and in recent years.

Stochastic multi-scale models of competition within heterogeneous cellular populations: Simulation methods and mean-field analysis.

PubMed

Cruz, Roberto de la; Guerrero, Pilar; Spill, Fabian; Alarcón, Tomás

2016-10-21

We propose a modelling framework to analyse the stochastic behaviour of heterogeneous, multi-scale cellular populations. We illustrate our methodology with a particular example in which we study a population with an oxygen-regulated proliferation rate. Our formulation is based on an age-dependent stochastic process. Cells within the population are characterised by their age (i.e. time elapsed since they were born). The age-dependent (oxygen-regulated) birth rate is given by a stochastic model of oxygen-dependent cell cycle progression. Once the birth rate is determined, we formulate an age-dependent birth-and-death process, which dictates the time evolution of the cell population. The population is under a feedback loop which controls its steady state size (carrying capacity): cells consume oxygen which in turn fuels cell proliferation. We show that our stochastic model of cell cycle progression allows for heterogeneity within the cell population induced by stochastic effects. Such heterogeneous behaviour is reflected in variations in the proliferation rate. Within this set-up, we have established three main results. First, we have shown that the age to the G1/S transition, which essentially determines the birth rate, exhibits a remarkably simple scaling behaviour. Besides the fact that this simple behaviour emerges from a rather complex model, this allows for a huge simplification of our numerical methodology. A further result is the observation that heterogeneous populations undergo an internal process of quasi-neutral competition. Finally, we investigated the effects of cell-cycle-phase dependent therapies (such as radiation therapy) on heterogeneous populations. In particular, we have studied the case in which the population contains a quiescent sub-population. Our mean-field analysis and numerical simulations confirm that, if the survival fraction of the therapy is too high, rescue of the quiescent population occurs. This gives rise to emergence of resistance to therapy since the rescued population is less sensitive to therapy. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Multiscale geometric modeling of macromolecules II: Lagrangian representation

PubMed Central

Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

2013-01-01

Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR and cryo-EM, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger’s functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

A Multi-Scale Method for Dynamics Simulation in Continuum Solvent Models I: Finite-Difference Algorithm for Navier-Stokes Equation

PubMed Central

Xiao, Li; Cai, Qin; Li, Zhilin; Zhao, Hongkai; Luo, Ray

2014-01-01

A multi-scale framework is proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent. This article reports our initial efforts to formulate the physical concepts necessary for coupling the two mechanics and develop a 3D numerical algorithm to simulate the solvent fluid via the Navier-Stokes equation. The numerical algorithm was validated with multiple test cases. The validation shows that the algorithm is effective and stable, with observed accuracy consistent with our design. PMID:25404761

Generalized Momentum Control of the Spin-Stabilized Magnetospheric Multiscale Formation

NASA Technical Reports Server (NTRS)

Queen, Steven Z.; Shah, Neerav; Benegalrao, Suyog S.; Blackman, Kathie

2015-01-01

The Magnetospheric Multiscale (MMS) mission consists of four identically instrumented, spin-stabilized observatories elliptically orbiting the Earth in a tetrahedron formation. The on-board attitude control system adjusts the angular momentum of the system using a generalized thruster-actuated control system that simultaneously manages precession, nutation and spin. Originally developed using Lyapunov control-theory with rate-feedback, a published algorithm has been augmented to provide a balanced attitude/rate response using a single weighting parameter. This approach overcomes an orientation sign-ambiguity in the existing formulation, and also allows for a smoothly tuned-response applicable to both a compact/agile spacecraft, as well as one with large articulating appendages.

Unifying diffusion and seepage for nonlinear gas transport in multiscale porous media

NASA Astrophysics Data System (ADS)

Song, Hongqing; Wang, Yuhe; Wang, Jiulong; Li, Zhengyi

2016-09-01

We unify the diffusion and seepage process for nonlinear gas transport in multiscale porous media via a proposed new general transport equation. A coherent theoretical derivation indicates the wall-molecule and molecule-molecule collisions drive the Knudsen and collective diffusive fluxes, and constitute the system pressure across the porous media. A new terminology, nominal diffusion coefficient can summarize Knudsen and collective diffusion coefficients. Physical and numerical experiments show the support of the new formulation and provide approaches to obtain the diffusion coefficient and permeability simultaneously. This work has important implication for natural gas extraction and greenhouse gases sequestration in geological formations.

Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth.

PubMed

de la Cruz, Roberto; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

2017-12-01

The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge of front, which cannot be accounted for by the coarse-grained model. Such fluctuations have non-trivial effects on the wave velocity. Beyond the development of a new hybrid method, we thus conclude that birth-rate fluctuations are central to a quantitatively accurate description of invasive phenomena such as tumour growth.

Coarse-graining and hybrid methods for efficient simulation of stochastic multi-scale models of tumour growth

NASA Astrophysics Data System (ADS)

de la Cruz, Roberto; Guerrero, Pilar; Calvo, Juan; Alarcón, Tomás

2017-12-01

The development of hybrid methodologies is of current interest in both multi-scale modelling and stochastic reaction-diffusion systems regarding their applications to biology. We formulate a hybrid method for stochastic multi-scale models of cells populations that extends the remit of existing hybrid methods for reaction-diffusion systems. Such method is developed for a stochastic multi-scale model of tumour growth, i.e. population-dynamical models which account for the effects of intrinsic noise affecting both the number of cells and the intracellular dynamics. In order to formulate this method, we develop a coarse-grained approximation for both the full stochastic model and its mean-field limit. Such approximation involves averaging out the age-structure (which accounts for the multi-scale nature of the model) by assuming that the age distribution of the population settles onto equilibrium very fast. We then couple the coarse-grained mean-field model to the full stochastic multi-scale model. By doing so, within the mean-field region, we are neglecting noise in both cell numbers (population) and their birth rates (structure). This implies that, in addition to the issues that arise in stochastic-reaction diffusion systems, we need to account for the age-structure of the population when attempting to couple both descriptions. We exploit our coarse-graining model so that, within the mean-field region, the age-distribution is in equilibrium and we know its explicit form. This allows us to couple both domains consistently, as upon transference of cells from the mean-field to the stochastic region, we sample the equilibrium age distribution. Furthermore, our method allows us to investigate the effects of intracellular noise, i.e. fluctuations of the birth rate, on collective properties such as travelling wave velocity. We show that the combination of population and birth-rate noise gives rise to large fluctuations of the birth rate in the region at the leading edge of front, which cannot be accounted for by the coarse-grained model. Such fluctuations have non-trivial effects on the wave velocity. Beyond the development of a new hybrid method, we thus conclude that birth-rate fluctuations are central to a quantitatively accurate description of invasive phenomena such as tumour growth.

Competence and Drug Use: Theoretical Frameworks, Empirical Evidence and Measurement.

ERIC Educational Resources Information Center

Lindenberg, Cathy Strachan; Solorzano, Rosa; Kelley, Maureen; Darrow, Vicki; Gendrop, Sylvia C.; Strickland, Ora

1998-01-01

Discusses the Social Stress Model of Substance Abuse. Summarizes theoretical and conceptual formulations for the construct of competence, reviews empirical evidence for the association of competence with drug use, and describes the preliminary development of a multiscale instrument designed to assess drug-protective competence among low-income…

Optimal Multi-scale Demand-side Management for Continuous Power-Intensive Processes

NASA Astrophysics Data System (ADS)

Mitra, Sumit

With the advent of deregulation in electricity markets and an increasing share of intermittent power generation sources, the profitability of industrial consumers that operate power-intensive processes has become directly linked to the variability in energy prices. Thus, for industrial consumers that are able to adjust to the fluctuations, time-sensitive electricity prices (as part of so-called Demand-Side Management (DSM) in the smart grid) offer potential economical incentives. In this thesis, we introduce optimization models and decomposition strategies for the multi-scale Demand-Side Management of continuous power-intensive processes. On an operational level, we derive a mode formulation for scheduling under time-sensitive electricity prices. The formulation is applied to air separation plants and cement plants to minimize the operating cost. We also describe how a mode formulation can be used for industrial combined heat and power plants that are co-located at integrated chemical sites to increase operating profit by adjusting their steam and electricity production according to their inherent flexibility. Furthermore, a robust optimization formulation is developed to address the uncertainty in electricity prices by accounting for correlations and multiple ranges in the realization of the random variables. On a strategic level, we introduce a multi-scale model that provides an understanding of the value of flexibility of the current plant configuration and the value of additional flexibility in terms of retrofits for Demand-Side Management under product demand uncertainty. The integration of multiple time scales leads to large-scale two-stage stochastic programming problems, for which we need to apply decomposition strategies in order to obtain a good solution within a reasonable amount of time. Hence, we describe two decomposition schemes that can be applied to solve two-stage stochastic programming problems: First, a hybrid bi-level decomposition scheme with novel Lagrangean-type and subset-type cuts to strengthen the relaxation. Second, an enhanced cross-decomposition scheme that integrates Benders decomposition and Lagrangean decomposition on a scenario basis. To demonstrate the effectiveness of our developed methodology, we provide several industrial case studies throughout the thesis.

Analysis of the Nonlinear Trends and Non-Stationary Oscillations of Regional Precipitation in Xinjiang, Northwestern China, Using Ensemble Empirical Mode Decomposition

PubMed Central

Guo, Bin; Chen, Zhongsheng; Guo, Jinyun; Liu, Feng; Chen, Chuanfa; Liu, Kangli

2016-01-01

Changes in precipitation could have crucial influences on the regional water resources in arid regions such as Xinjiang. It is necessary to understand the intrinsic multi-scale variations of precipitation in different parts of Xinjiang in the context of climate change. In this study, based on precipitation data from 53 meteorological stations in Xinjiang during 1960–2012, we investigated the intrinsic multi-scale characteristics of precipitation variability using an adaptive method named ensemble empirical mode decomposition (EEMD). Obvious non-linear upward trends in precipitation were found in the north, south, east and the entire Xinjiang. Changes in precipitation in Xinjiang exhibited significant inter-annual scale (quasi-2 and quasi-6 years) and inter-decadal scale (quasi-12 and quasi-23 years). Moreover, the 2–3-year quasi-periodic fluctuation was dominant in regional precipitation and the inter-annual variation had a considerable effect on the regional-scale precipitation variation in Xinjiang. We also found that there were distinctive spatial differences in variation trends and turning points of precipitation in Xinjiang. The results of this study indicated that compared to traditional decomposition methods, the EEMD method, without using any a priori determined basis functions, could effectively extract the reliable multi-scale fluctuations and reveal the intrinsic oscillation properties of climate elements. PMID:27007388

Landscape variation of seasonal pool plant communities in forests of northern Minnesota, USA

Treesearch

Brian Palik; Dwight Streblow; Leanne Egeland; Richard Buech

2007-01-01

Seasonal forest pools are abundant in the northern Great Lakes forest landscape, but the range of variation in their plant communities and the relationship of this variation to multi-scale landscape features remains poorly quantified. We examined seasonal pools in forests of northern Minnesota USA with the objective of quantifying the range of variation in plant...

Multiscale finite element modeling of sheet molding compound (SMC) composite structure based on stochastic mesostructure reconstruction

DOE PAGES

Chen, Zhangxing; Huang, Tianyu; Shao, Yimin; ...

2018-03-15

Predicting the mechanical behavior of the chopped carbon fiber Sheet Molding Compound (SMC) due to spatial variations in local material properties is critical for the structural performance analysis but is computationally challenging. Such spatial variations are induced by the material flow in the compression molding process. In this work, a new multiscale SMC modeling framework and the associated computational techniques are developed to provide accurate and efficient predictions of SMC mechanical performance. The proposed multiscale modeling framework contains three modules. First, a stochastic algorithm for 3D chip-packing reconstruction is developed to efficiently generate the SMC mesoscale Representative Volume Element (RVE)more » model for Finite Element Analysis (FEA). A new fiber orientation tensor recovery function is embedded in the reconstruction algorithm to match reconstructions with the target characteristics of fiber orientation distribution. Second, a metamodeling module is established to improve the computational efficiency by creating the surrogates of mesoscale analyses. Third, the macroscale behaviors are predicted by an efficient multiscale model, in which the spatially varying material properties are obtained based on the local fiber orientation tensors. Our approach is further validated through experiments at both meso- and macro-scales, such as tensile tests assisted by Digital Image Correlation (DIC) and mesostructure imaging.« less

The role of continuity in residual-based variational multiscale modeling of turbulence

NASA Astrophysics Data System (ADS)

Akkerman, I.; Bazilevs, Y.; Calo, V. M.; Hughes, T. J. R.; Hulshoff, S.

2008-02-01

This paper examines the role of continuity of the basis in the computation of turbulent flows. We compare standard finite elements and non-uniform rational B-splines (NURBS) discretizations that are employed in Isogeometric Analysis (Hughes et al. in Comput Methods Appl Mech Eng, 194:4135 4195, 2005). We make use of quadratic discretizations that are C 0-continuous across element boundaries in standard finite elements, and C 1-continuous in the case of NURBS. The variational multiscale residual-based method (Bazilevs in Isogeometric analysis of turbulence and fluid-structure interaction, PhD thesis, ICES, UT Austin, 2006; Bazilevs et al. in Comput Methods Appl Mech Eng, submitted, 2007; Calo in Residual-based multiscale turbulence modeling: finite volume simulation of bypass transition. PhD thesis, Department of Civil and Environmental Engineering, Stanford University, 2004; Hughes et al. in proceedings of the XXI international congress of theoretical and applied mechanics (IUTAM), Kluwer, 2004; Scovazzi in Multiscale methods in science and engineering, PhD thesis, Department of Mechanical Engineering, Stanford Universty, 2004) is employed as a turbulence modeling technique. We find that C 1-continuous discretizations outperform their C 0-continuous counterparts on a per-degree-of-freedom basis. We also find that the effect of continuity is greater for higher Reynolds number flows.

Multiscale finite element modeling of sheet molding compound (SMC) composite structure based on stochastic mesostructure reconstruction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Zhangxing; Huang, Tianyu; Shao, Yimin

Predicting the mechanical behavior of the chopped carbon fiber Sheet Molding Compound (SMC) due to spatial variations in local material properties is critical for the structural performance analysis but is computationally challenging. Such spatial variations are induced by the material flow in the compression molding process. In this work, a new multiscale SMC modeling framework and the associated computational techniques are developed to provide accurate and efficient predictions of SMC mechanical performance. The proposed multiscale modeling framework contains three modules. First, a stochastic algorithm for 3D chip-packing reconstruction is developed to efficiently generate the SMC mesoscale Representative Volume Element (RVE)more » model for Finite Element Analysis (FEA). A new fiber orientation tensor recovery function is embedded in the reconstruction algorithm to match reconstructions with the target characteristics of fiber orientation distribution. Second, a metamodeling module is established to improve the computational efficiency by creating the surrogates of mesoscale analyses. Third, the macroscale behaviors are predicted by an efficient multiscale model, in which the spatially varying material properties are obtained based on the local fiber orientation tensors. Our approach is further validated through experiments at both meso- and macro-scales, such as tensile tests assisted by Digital Image Correlation (DIC) and mesostructure imaging.« less

Multiscale Modeling of Grain-Boundary Fracture: Cohesive Zone Models Parameterized From Atomistic Simulations

NASA Technical Reports Server (NTRS)

Glaessgen, Edward H.; Saether, Erik; Phillips, Dawn R.; Yamakov, Vesselin

2006-01-01

A multiscale modeling strategy is developed to study grain boundary fracture in polycrystalline aluminum. Atomistic simulation is used to model fundamental nanoscale deformation and fracture mechanisms and to develop a constitutive relationship for separation along a grain boundary interface. The nanoscale constitutive relationship is then parameterized within a cohesive zone model to represent variations in grain boundary properties. These variations arise from the presence of vacancies, intersticies, and other defects in addition to deviations in grain boundary angle from the baseline configuration considered in the molecular dynamics simulation. The parameterized cohesive zone models are then used to model grain boundaries within finite element analyses of aluminum polycrystals.

Coupling of ab initio density functional theory and molecular dynamics for the multiscale modeling of carbon nanotubes

NASA Astrophysics Data System (ADS)

Ng, T. Y.; Yeak, S. H.; Liew, K. M.

2008-02-01

A multiscale technique is developed that couples empirical molecular dynamics (MD) and ab initio density functional theory (DFT). An overlap handshaking region between the empirical MD and ab initio DFT regions is formulated and the interaction forces between the carbon atoms are calculated based on the second-generation reactive empirical bond order potential, the long-range Lennard-Jones potential as well as the quantum-mechanical DFT derived forces. A density of point algorithm is also developed to track all interatomic distances in the system, and to activate and establish the DFT and handshaking regions. Through parallel computing, this multiscale method is used here to study the dynamic behavior of single-walled carbon nanotubes (SWCNTs) under asymmetrical axial compression. The detection of sideways buckling due to the asymmetrical axial compression is reported and discussed. It is noted from this study on SWCNTs that the MD results may be stiffer compared to those with electron density considerations, i.e. first-principle ab initio methods.

This is SPIRAL-TAP: Sparse Poisson Intensity Reconstruction ALgorithms--theory and practice.

PubMed

Harmany, Zachary T; Marcia, Roummel F; Willett, Rebecca M

2012-03-01

Observations in many applications consist of counts of discrete events, such as photons hitting a detector, which cannot be effectively modeled using an additive bounded or Gaussian noise model, and instead require a Poisson noise model. As a result, accurate reconstruction of a spatially or temporally distributed phenomenon (f*) from Poisson data (y) cannot be effectively accomplished by minimizing a conventional penalized least-squares objective function. The problem addressed in this paper is the estimation of f* from y in an inverse problem setting, where the number of unknowns may potentially be larger than the number of observations and f* admits sparse approximation. The optimization formulation considered in this paper uses a penalized negative Poisson log-likelihood objective function with nonnegativity constraints (since Poisson intensities are naturally nonnegative). In particular, the proposed approach incorporates key ideas of using separable quadratic approximations to the objective function at each iteration and penalization terms related to l1 norms of coefficient vectors, total variation seminorms, and partition-based multiscale estimation methods.

Sea-land segmentation for infrared remote sensing images based on superpixels and multi-scale features

NASA Astrophysics Data System (ADS)

Lei, Sen; Zou, Zhengxia; Liu, Dunge; Xia, Zhenghuan; Shi, Zhenwei

2018-06-01

Sea-land segmentation is a key step for the information processing of ocean remote sensing images. Traditional sea-land segmentation algorithms ignore the local similarity prior of sea and land, and thus fail in complex scenarios. In this paper, we propose a new sea-land segmentation method for infrared remote sensing images to tackle the problem based on superpixels and multi-scale features. Considering the connectivity and local similarity of sea or land, we interpret the sea-land segmentation task in view of superpixels rather than pixels, where similar pixels are clustered and the local similarity are explored. Moreover, the multi-scale features are elaborately designed, comprising of gray histogram and multi-scale total variation. Experimental results on infrared bands of Landsat-8 satellite images demonstrate that the proposed method can obtain more accurate and more robust sea-land segmentation results than the traditional algorithms.

Modeling Flow in Porous Media with Double Porosity/Permeability.

NASA Astrophysics Data System (ADS)

Seyed Joodat, S. H.; Nakshatrala, K. B.; Ballarini, R.

2016-12-01

Although several continuum models are available to study the flow of fluids in porous media with two pore-networks [1], they lack a firm theoretical basis. In this poster presentation, we will present a mathematical model with firm thermodynamic basis and a robust computational framework for studying flow in porous media that exhibit double porosity/permeability. The mathematical model will be derived by appealing to the maximization of rate of dissipation hypothesis, which ensures that the model is in accord with the second law of thermodynamics. We will also present important properties that the solutions under the model satisfy, along with an analytical solution procedure based on the Green's function method. On the computational front, a stabilized mixed finite element formulation will be derived based on the variational multi-scale formalism. The equal-order interpolation, which is computationally the most convenient, is stable under this formulation. The performance of this formulation will be demonstrated using patch tests, numerical convergence study, and representative problems. It will be shown that the pressure and velocity profiles under the double porosity/permeability model are qualitatively and quantitatively different from the corresponding ones under the classical Darcy equations. Finally, it will be illustrated that the surface pore-structure is not sufficient in characterizing the flow through a complex porous medium, which pitches a case for using advanced characterization tools like micro-CT. References [1] G. I. Barenblatt, I. P. Zheltov, and I. N. Kochina, "Basic concepts in the theory of seepage of homogeneous liquids in fissured rocks [strata]," Journal of Applied Mathematics and Mechanics, vol. 24, pp. 1286-1303, 1960.

Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

NASA Astrophysics Data System (ADS)

Lyu, Dandan; Li, Shaofan

2017-10-01

Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

Challenges in Ocean Data Assimilation for the US West Coast

NASA Astrophysics Data System (ADS)

Li, Z.; Chao, Y.; Farrara, J.; Wang, X.

2006-12-01

A three-dimensional variational data assimilation (3DVAR) system has been developed for the Regional Ocean Modeling System (ROMS), and it is called ROMS-DAS. This system provides a capability of predicting meso- to small-scale variations with temporal scales from hours to days in the coastal oceans. To cope with the particular difficulties that result from complex coastlines and bottom topography, unbalanced flows and sparse observations, ROMS-DAS utilizes several novel strategies. These strategies include the implementation of three-dimensional anisotropic and inhomogeneous error correlations, application of particular weak dynamic constraints, and implementation of efficient and reliable algorithms for minimizing the cost function. The ROMS-DAS system was applied in field experiments for Monterey Bay during both 2003 (Autonomous Ocean Sampling Network - AOSN) and 2006 (MB06). These two experiments included intensive data collection from a variety of observational platforms, including satellites, airplanes, High Frequency radars, Acoustic Doppler Current Profilers, ships, drifters, buoys, autonomous underwater vehicles (AUV), and particularly a fleet of undersea gliders. Using these data sets, various data assimilation experiments were performed to address several major data assimilation challenges that arise from multi-scales structures, inhomogeneous properties, dynamical imbalance of the flow, and tides. Basing on these experiments, a set of strategies were formulated to deal with those challenges.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chacón, L., E-mail: chacon@lanl.gov; Chen, G.; Knoll, D.A.

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 HOLOmore » 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.« less

Multiscale techniques for parabolic equations.

PubMed

Målqvist, Axel; Persson, Anna

2018-01-01

We use the local orthogonal decomposition technique introduced in Målqvist and Peterseim (Math Comput 83(290):2583-2603, 2014) to derive a generalized finite element method for linear and semilinear parabolic equations with spatial multiscale coefficients. We consider nonsmooth initial data and a backward Euler scheme for the temporal discretization. Optimal order convergence rate, depending only on the contrast, but not on the variations of the coefficients, is proven in the [Formula: see text]-norm. We present numerical examples, which confirm our theoretical findings.

Fluorescence Across Space and Time (2017 FAST Campaign): Investigating the multiscale links between fluorescence and photosynthesis

NASA Astrophysics Data System (ADS)

Porcar-Castell, A.; Atherton, J.; Rajewicz, P. A.; Riikonen, A.; Gebre, S.; Liu, W.; Aalto, J.; Bendoula, R.; Burkart, A.; Chen, H.; Erkkilä, K. M.; Feret, J. B.; Fernández-Marín, B.; García-Plazaola, J. I.; Hakala, T.; Hartikainen, S.; Honkavaara, E.; Ihalainen, J.; Julitta, T.; Kolari, P.; Kooijmans, L.; Levula, J.; Loponen, M.; Mac Arthur, A.; Magney, T.; Maseyk, K. S.; Mottus, M.; Neimane, S.; Oksa, E.; Osterman, G. B.; Robinson, I.; Robson, M. T.; Sabater, N.; Solanki, T.; Tikkanen, M.; Mäkipää, R.; Aro, E. M.; Rascher, U.; Frankenberg, C.; Kulmala, M. T.; Vesala, T.; Back, J. K.

2017-12-01

The use of solar-induced chlorophyll fluorescence (ChlF) as a tracer of photosynthesis is rapidly expanding with increasing numbers of measurements from towers, drones, aircrafts, or satellites. But how to integrate all the informative potential of these multiscale datasets? The connection between ChlF and photosynthesis takes place via multiple mechansisms that depend on the scale. At the leaf level, diurnal variations in ChlF may indicate changes in photochemical or non-photochemical quenching processes, whereas seasonal variations may indicate changes in the protein structure or pigment composition of the photosynthetic apparatus. At the canopy level, variations in ChlF may also reflect changes in total leaf area, canopy structure, species composition, changes in illumination or sun-target-sensor geometry, background properties, etc. At the pixel level, the dynamics of the atmosphere are also important. It is therefore essential to characterize the impact of factors that control ChlF and photosynthesis at each scale. A combination of multiscale and continuous experimentation and modelling is probably the best option to close the remaining knowledge gaps. The goal of the FAST campaign was to characterize the processes that control the ChlF signal dynamics at each scale, establishing a comprehensive dataset for multiscale hypothesis and model validation. The campaign took place in Hyytiälä (Southern Finland) and lasted for 6 months. Measurements expanded from the molecular to the satellite pixel level and from the picosecond to the seasonal scale, including multiple species, and providing a unique optical and phenomenological record of the multiscale spring recovery of photosynthesis in a boreal forest. Amongst others we measured and registered: leaf ChlF spectra, OJIP kinetics, PSI and PSII activity, photosynthetic gas exchange, carbonyl sulphide (COS), volatile organic compounds (VOCs), total leaf absorption, pigment concentrations, photosynthetic proteins, fluorescence lifetime, canopy SIF, CO2, water, COS, and VOC fluxes, as well as vertical profiles of forest SIF using a drone and target OCO-2 observations at 1x2km pixel resolution. We here present preliminary results from the FAST campaign which emphasize the variability and role of different controls across scales.

Multiscale spatial and temporal estimation of the b-value

NASA Astrophysics Data System (ADS)

García-Hernández, R.; D'Auria, L.; Barrancos, J.; Padilla, G.

2017-12-01

The estimation of the spatial and temporal variations of the Gutenberg-Richter b-value is of great importance in different seismological applications. One of the problems affecting its estimation is the heterogeneous distribution of the seismicity which makes its estimate strongly dependent upon the selected spatial and/or temporal scale. This is especially important in volcanoes where dense clusters of earthquakes often overlap the background seismicity. Proposed solutions for estimating temporal variations of the b-value include considering equally spaced time intervals or variable intervals having an equal number of earthquakes. Similar approaches have been proposed to image the spatial variations of this parameter as well.We propose a novel multiscale approach, based on the method of Ogata and Katsura (1993), allowing a consistent estimation of the b-value regardless of the considered spatial and/or temporal scales. Our method, named MUST-B (MUltiscale Spatial and Temporal characterization of the B-value), basically consists in computing estimates of the b-value at multiple temporal and spatial scales, extracting for a give spatio-temporal point a statistical estimator of the value, as well as and indication of the characteristic spatio-temporal scale. This approach includes also a consistent estimation of the completeness magnitude (Mc) and of the uncertainties over both b and Mc.We applied this method to example datasets for volcanic (Tenerife, El Hierro) and tectonic areas (Central Italy) as well as an example application at global scale.

Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

NASA Astrophysics Data System (ADS)

Stanton, L. G.; Glosli, J. N.; Murillo, M. S.

2018-04-01

Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.

Statistical CT noise reduction with multiscale decomposition and penalized weighted least squares in the projection domain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang Shaojie; Tang Xiangyang; School of Automation, Xi'an University of Posts and Telecommunications, Xi'an, Shaanxi 710121

2012-09-15

Purposes: The suppression of noise in x-ray computed tomography (CT) imaging is of clinical relevance for diagnostic image quality and the potential for radiation dose saving. Toward this purpose, statistical noise reduction methods in either the image or projection domain have been proposed, which employ a multiscale decomposition to enhance the performance of noise suppression while maintaining image sharpness. Recognizing the advantages of noise suppression in the projection domain, the authors propose a projection domain multiscale penalized weighted least squares (PWLS) method, in which the angular sampling rate is explicitly taken into consideration to account for the possible variation ofmore » interview sampling rate in advanced clinical or preclinical applications. Methods: The projection domain multiscale PWLS method is derived by converting an isotropic diffusion partial differential equation in the image domain into the projection domain, wherein a multiscale decomposition is carried out. With adoption of the Markov random field or soft thresholding objective function, the projection domain multiscale PWLS method deals with noise at each scale. To compensate for the degradation in image sharpness caused by the projection domain multiscale PWLS method, an edge enhancement is carried out following the noise reduction. The performance of the proposed method is experimentally evaluated and verified using the projection data simulated by computer and acquired by a CT scanner. Results: The preliminary results show that the proposed projection domain multiscale PWLS method outperforms the projection domain single-scale PWLS method and the image domain multiscale anisotropic diffusion method in noise reduction. In addition, the proposed method can preserve image sharpness very well while the occurrence of 'salt-and-pepper' noise and mosaic artifacts can be avoided. Conclusions: Since the interview sampling rate is taken into account in the projection domain multiscale decomposition, the proposed method is anticipated to be useful in advanced clinical and preclinical applications where the interview sampling rate varies.« less

A variance-decomposition approach to investigating multiscale habitat associations

USGS Publications Warehouse

Lawler, J.J.; Edwards, T.C.

2006-01-01

The recognition of the importance of spatial scale in ecology has led many researchers to take multiscale approaches to studying habitat associations. However, few of the studies that investigate habitat associations at multiple spatial scales have considered the potential effects of cross-scale correlations in measured habitat variables. When cross-scale correlations in such studies are strong, conclusions drawn about the relative strength of habitat associations at different spatial scales may be inaccurate. Here we adapt and demonstrate an analytical technique based on variance decomposition for quantifying the influence of cross-scale correlations on multiscale habitat associations. We used the technique to quantify the variation in nest-site locations of Red-naped Sapsuckers (Sphyrapicus nuchalis) and Northern Flickers (Colaptes auratus) associated with habitat descriptors at three spatial scales. We demonstrate how the method can be used to identify components of variation that are associated only with factors at a single spatial scale as well as shared components of variation that represent cross-scale correlations. Despite the fact that no explanatory variables in our models were highly correlated (r < 0.60), we found that shared components of variation reflecting cross-scale correlations accounted for roughly half of the deviance explained by the models. These results highlight the importance of both conducting habitat analyses at multiple spatial scales and of quantifying the effects of cross-scale correlations in such analyses. Given the limits of conventional analytical techniques, we recommend alternative methods, such as the variance-decomposition technique demonstrated here, for analyzing habitat associations at multiple spatial scales. ?? The Cooper Ornithological Society 2006.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, W.; Zhu, W. D.; Smith, S. A.

While structural damage detection based on flexural vibration shapes, such as mode shapes and steady-state response shapes under harmonic excitation, has been well developed, little attention is paid to that based on longitudinal vibration shapes that also contain damage information. This study originally formulates a slope vibration shape for damage detection in bars using longitudinal vibration shapes. To enhance noise robustness of the method, a slope vibration shape is transformed to a multiscale slope vibration shape in a multiscale domain using wavelet transform, which has explicit physical implication, high damage sensitivity, and noise robustness. These advantages are demonstrated in numericalmore » cases of damaged bars, and results show that multiscale slope vibration shapes can be used for identifying and locating damage in a noisy environment. A three-dimensional (3D) scanning laser vibrometer is used to measure the longitudinal steady-state response shape of an aluminum bar with damage due to reduced cross-sectional dimensions under harmonic excitation, and results show that the method can successfully identify and locate the damage. Slopes of longitudinal vibration shapes are shown to be suitable for damage detection in bars and have potential for applications in noisy environments.« less

Multiscale spatial and small-scale temporal variation in the composition of Riverine fish communities.

PubMed

Growns, Ivor; Astles, Karen; Gehrke, Peter

2006-03-01

We studied the multiscale (sites, river reaches and rivers) and short-term temporal (monthly) variability in a freshwater fish assemblage. We found that small-scale spatial variation and short-term temporal variability significantly influenced fish community structure in the Macquarie and Namoi Rivers. However, larger scale spatial differences between rivers were the largest source of variation in the data. The interaction between temporal change and spatial variation in fish community structure, whilst statistically significant, was smaller than the variation between rivers. This suggests that although the fish communities within each river changed between sampling occasions, the underlying differences between rivers were maintained. In contrast, the strongest interaction between temporal and spatial effects occurred at the smallest spatial scale, at the level of individual sites. This means whilst the composition of the fish assemblage at a given site may fluctuate, the magnitude of these changes is unlikely to affect larger scale differences between reaches within rivers or between rivers. These results suggest that sampling at any time within a single season will be sufficient to show spatial differences that occur over large spatial scales, such as comparisons between rivers or between biogeographical regions.

A Kalman Filter for Mass Property and Thrust Identification of the Spin-Stabilized Magnetospheric Multiscale Formation

NASA Technical Reports Server (NTRS)

Queen, Steven Z.

2015-01-01

The Magnetospheric Multiscale (MMS) mission consists of four identically instrumented, spin-stabilized observatories, elliptically orbiting the Earth in a tetrahedron formation. For the operational success of the mission, on-board systems must be able to deliver high-precision orbital adjustment maneuvers. On MMS, this is accomplished using feedback from on-board star sensors in tandem with accelerometers whose measurements are dynamically corrected for errors associated with a spinning platform. In order to determine the required corrections to the measured acceleration, precise estimates of attitude, rate, and mass-properties are necessary. To this end, both an on-board and ground-based Multiplicative Extended Kalman Filter (MEKF) were formulated and implemented in order to estimate the dynamic and quasi-static properties of the spacecraft.

Multiscale Approach For Simulating Nonlinear Wave Propagation In Materials with Localized Microdamage

NASA Astrophysics Data System (ADS)

Vanaverbeke, Sigfried; Van Den Abeele, Koen

2006-05-01

A multiscale model for the simulation of two-dimensional nonlinear wave propagation in microcracked materials exhibiting hysteretic nonlinearity is presented. We use trigger-like elements with a two state nonlinear stress-strain relation to simulate microcracks at the microlevel. A generalized Preisach space approach, based on the eigenstress-eigenstrain formulation, upscales the microscopic state relation to the mesoscopic level. The macroscopic response of the sample to an arbitrary excitation signal is then predicted using a staggered grid Elastodynamic Finite Integration Technique (EFIT) formalism. We apply the model to investigate spectral changes of a pulsed signal traversing a localized microdamaged region with hysteretic nonlinearity in a plate, and to study the influence of a superficial region with hysteretic nonlinearity on the nonlinear Rayleigh wave propagation.

Evolutionary and ecological consequences of multiscale variation in pollen receipt for seed production.

PubMed

Schreiber, Sebastian J; Rosenheim, Jay A; Williams, Neal W; Harder, Lawrence D

2015-01-01

Variation in resource availability can select for traits that reduce the negative impacts of this variability on mean fitness. Such selection may be particularly potent for seed production in flowering plants, as they often experience variation in pollen receipt among individuals and among flowers within individuals. Using analytically tractable models, we examine the optimal allocations for producing ovules, attracting pollen, and maturing seeds in deterministic and stochastic pollen environments. In deterministic environments, the optimal strategy attracts sufficient pollen to fertilize every ovule and mature every zygote into a seed. Stochastic environments select for allocations proportional to the risk of seed production being limited by zygotes or seed maturation. When producing an ovule is cheap and maturing a seed is expensive, among-plant variation selects for attracting more pollen at the expense of producing fewer ovules and having fewer resources for seed maturation. Despite this increased allocation, such populations are likely to be pollen limited. In contrast, within-plant variation generally selects for an overproduction of ovules and, to a lesser extent, pollen attraction. Such populations are likely to be resource limited and exhibit low seed-to-ovule ratios. These results highlight the importance of multiscale variation in the evolution and ecology of resource allocations.

Development of Improved Algorithms and Multiscale Modeling Capability with SUNTANS

DTIC Science & Technology

2013-09-30

solves the Navier-Stokes equations under the Boussinesq approximation (Fringer et al.,2006). The formulation is based on the method outlined by...stratified systems . Figure 4 shows a nonhydrostatic isopycnal simulation of oscillatory flow in a continuously stratified fluid over a Gaussian sill. This...Modeling the Earth System , Boulder (invited). Sankaranarayanan, S., and Fringer, O. B., 2013, "Dynamics of barotropic low-frequency fluctuations in

Variational estimate method for solving autonomous ordinary differential equations

NASA Astrophysics Data System (ADS)

Mungkasi, Sudi

2018-04-01

In this paper, we propose a method for solving first-order autonomous ordinary differential equation problems using a variational estimate formulation. The variational estimate is constructed with a Lagrange multiplier which is chosen optimally, so that the formulation leads to an accurate solution to the problem. The variational estimate is an integral form, which can be computed using a computer software. As the variational estimate is an explicit formula, the solution is easy to compute. This is a great advantage of the variational estimate formulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Paul T.; Shadid, John N.; Tsuji, Paul H.

Here, this study explores the performance and scaling of a GMRES Krylov method employed as a smoother for an algebraic multigrid (AMG) preconditioned Newton- Krylov solution approach applied to a fully-implicit variational multiscale (VMS) nite element (FE) resistive magnetohydrodynamics (MHD) formulation. In this context a Newton iteration is used for the nonlinear system and a Krylov (GMRES) method is employed for the linear subsystems. The efficiency of this approach is critically dependent on the scalability and performance of the AMG preconditioner for the linear solutions and the performance of the smoothers play a critical role. Krylov smoothers are considered inmore » an attempt to reduce the time and memory requirements of existing robust smoothers based on additive Schwarz domain decomposition (DD) with incomplete LU factorization solves on each subdomain. Three time dependent resistive MHD test cases are considered to evaluate the method. The results demonstrate that the GMRES smoother can be faster due to a decrease in the preconditioner setup time and a reduction in outer GMRESR solver iterations, and requires less memory (typically 35% less memory for global GMRES smoother) than the DD ILU smoother.« less

A multiscale strength model for tantalum over an extended range of strain rates

NASA Astrophysics Data System (ADS)

Barton, N. R.; Rhee, M.

2013-09-01

A strength model for tantalum is developed and exercised across a range of conditions relevant to various types of experimental observations. The model is based on previous multiscale modeling work combined with experimental observations. As such, the model's parameterization includes a hybrid of quantities that arise directly from predictive sub-scale physics models and quantities that are adjusted to align the model with experimental observations. Given current computing and experimental limitations, the response regions for sub-scale physics simulations and detailed experimental observations have been largely disjoint. In formulating the new model and presenting results here, attention is paid to integrated experimental observations that probe strength response at the elevated strain rates where a previous version of the model has generally been successful in predicting experimental data [Barton et al., J. Appl. Phys. 109(7), 073501 (2011)].

Fast Multiscale Algorithms for Wave Propagation in Heterogeneous Environments

DTIC Science & Technology

2016-01-07

methods for waves’’, Nonlinear solvers for high- intensity focused ultrasound with application to cancer treatment, AIMS, Palo Alto, 2012. ``Hermite...formulation but different parametrizations. . . . . . . . . . . . 6 4 Density µ(t) at mode 0 for scattering of a plane Gaussian pulse from a sphere. On the...spatiotemporal scales. Two crucial components of the highly-efficient, general-purpose wave simulator we envision are • Reliable, low -cost methods for truncating

Coupling of Peridynamics and Finite Element Formulation for Multiscale Simulations

DTIC Science & Technology

2012-10-16

unidirectional fiber - reinforced composites, Computer Methods in Applied Mechanics and Engineering 217 (2012) 247-261. [44] S. A. Silling, M. Epton...numerical testing for different grid widths to horizon ratios , (4) development of an approach to add another material variable in the given approach...partition of unity principle, (3) numerical testing for different grid widths to horizon ratios , (4) development of an approach to add another

Hierarchical Markov blankets and adaptive active inference. Comment on "Answering Schrödinger's question: A free-energy formulation" by Maxwell James Désormeau Ramstead et al.

NASA Astrophysics Data System (ADS)

Kirchhoff, Michael

2018-03-01

Ramstead MJD, Badcock PB, Friston KJ. Answering Schrödinger's question: A free-energy formulation. Phys Life Rev 2018. https://doi.org/10.1016/j.plrev.2017.09.001 [this issue] motivate a multiscale characterisation of living systems in terms of hierarchically structured Markov blankets - a view of living systems as comprised of Markov blankets of Markov blankets [1-4]. It is effectively a treatment of what life is and how it is realised, cast in terms of how Markov blankets of living systems self-organise via active inference - a corollary of the free energy principle [5-7].

Data-Driven Hierarchical Structure Kernel for Multiscale Part-Based Object Recognition

PubMed Central

Wang, Botao; Xiong, Hongkai; Jiang, Xiaoqian; Zheng, Yuan F.

2017-01-01

Detecting generic object categories in images and videos are a fundamental issue in computer vision. However, it faces the challenges from inter and intraclass diversity, as well as distortions caused by viewpoints, poses, deformations, and so on. To solve object variations, this paper constructs a structure kernel and proposes a multiscale part-based model incorporating the discriminative power of kernels. The structure kernel would measure the resemblance of part-based objects in three aspects: 1) the global similarity term to measure the resemblance of the global visual appearance of relevant objects; 2) the part similarity term to measure the resemblance of the visual appearance of distinctive parts; and 3) the spatial similarity term to measure the resemblance of the spatial layout of parts. In essence, the deformation of parts in the structure kernel is penalized in a multiscale space with respect to horizontal displacement, vertical displacement, and scale difference. Part similarities are combined with different weights, which are optimized efficiently to maximize the intraclass similarities and minimize the interclass similarities by the normalized stochastic gradient ascent algorithm. In addition, the parameters of the structure kernel are learned during the training process with regard to the distribution of the data in a more discriminative way. With flexible part sizes on scale and displacement, it can be more robust to the intraclass variations, poses, and viewpoints. Theoretical analysis and experimental evaluations demonstrate that the proposed multiscale part-based representation model with structure kernel exhibits accurate and robust performance, and outperforms state-of-the-art object classification approaches. PMID:24808345

Simulation of Left Atrial Function Using a Multi-Scale Model of the Cardiovascular System

PubMed Central

Pironet, Antoine; Dauby, Pierre C.; Paeme, Sabine; Kosta, Sarah; Chase, J. Geoffrey; Desaive, Thomas

2013-01-01

During a full cardiac cycle, the left atrium successively behaves as a reservoir, a conduit and a pump. This complex behavior makes it unrealistic to apply the time-varying elastance theory to characterize the left atrium, first, because this theory has known limitations, and second, because it is still uncertain whether the load independence hypothesis holds. In this study, we aim to bypass this uncertainty by relying on another kind of mathematical model of the cardiac chambers. In the present work, we describe both the left atrium and the left ventricle with a multi-scale model. The multi-scale property of this model comes from the fact that pressure inside a cardiac chamber is derived from a model of the sarcomere behavior. Macroscopic model parameters are identified from reference dog hemodynamic data. The multi-scale model of the cardiovascular system including the left atrium is then simulated to show that the physiological roles of the left atrium are correctly reproduced. This include a biphasic pressure wave and an eight-shaped pressure-volume loop. We also test the validity of our model in non basal conditions by reproducing a preload reduction experiment by inferior vena cava occlusion with the model. We compute the variation of eight indices before and after this experiment and obtain the same variation as experimentally observed for seven out of the eight indices. In summary, the multi-scale mathematical model presented in this work is able to correctly account for the three roles of the left atrium and also exhibits a realistic left atrial pressure-volume loop. Furthermore, the model has been previously presented and validated for the left ventricle. This makes it a proper alternative to the time-varying elastance theory if the focus is set on precisely representing the left atrial and left ventricular behaviors. PMID:23755183

Coupled variational formulations of linear elasticity and the DPG methodology

NASA Astrophysics Data System (ADS)

Fuentes, Federico; Keith, Brendan; Demkowicz, Leszek; Le Tallec, Patrick

2017-11-01

This article presents a general approach akin to domain-decomposition methods to solve a single linear PDE, but where each subdomain of a partitioned domain is associated to a distinct variational formulation coming from a mutually well-posed family of broken variational formulations of the original PDE. It can be exploited to solve challenging problems in a variety of physical scenarios where stability or a particular mode of convergence is desired in a part of the domain. The linear elasticity equations are solved in this work, but the approach can be applied to other equations as well. The broken variational formulations, which are essentially extensions of more standard formulations, are characterized by the presence of mesh-dependent broken test spaces and interface trial variables at the boundaries of the elements of the mesh. This allows necessary information to be naturally transmitted between adjacent subdomains, resulting in coupled variational formulations which are then proved to be globally well-posed. They are solved numerically using the DPG methodology, which is especially crafted to produce stable discretizations of broken formulations. Finally, expected convergence rates are verified in two different and illustrative examples.

Multiscale modeling and computation of optically manipulated nano devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bao, Gang, E-mail: baog@zju.edu.cn; Liu, Di, E-mail: richardl@math.msu.edu; Luo, Songting, E-mail: luos@iastate.edu

2016-07-01

We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, andmore » use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.« less

Structural Damage Detection Using Slopes of Longitudinal Vibration Shapes

DOE PAGES

Xu, W.; Zhu, W. D.; Smith, S. A.; ...

2016-03-18

While structural damage detection based on flexural vibration shapes, such as mode shapes and steady-state response shapes under harmonic excitation, has been well developed, little attention is paid to that based on longitudinal vibration shapes that also contain damage information. This study originally formulates a slope vibration shape for damage detection in bars using longitudinal vibration shapes. To enhance noise robustness of the method, a slope vibration shape is transformed to a multiscale slope vibration shape in a multiscale domain using wavelet transform, which has explicit physical implication, high damage sensitivity, and noise robustness. These advantages are demonstrated in numericalmore » cases of damaged bars, and results show that multiscale slope vibration shapes can be used for identifying and locating damage in a noisy environment. A three-dimensional (3D) scanning laser vibrometer is used to measure the longitudinal steady-state response shape of an aluminum bar with damage due to reduced cross-sectional dimensions under harmonic excitation, and results show that the method can successfully identify and locate the damage. Slopes of longitudinal vibration shapes are shown to be suitable for damage detection in bars and have potential for applications in noisy environments.« less

Variational coarse-graining procedure for dynamic homogenization

NASA Astrophysics Data System (ADS)

Liu, Chenchen; Reina, Celia

2017-07-01

We present a variational coarse-graining framework for heterogeneous media in the spirit of FE2 methods, that allows for a seamless transition from the traditional static scenario to dynamic loading conditions, while being applicable to general material behavior as well as to discrete or continuous representations of the material and its deformation, e.g., finite element discretizations or atomistic systems. The method automatically delivers the macroscopic equations of motion together with the generalization of Hill's averaging relations to the dynamic setting. These include the expression of the macroscopic stresses and linear momentum as a function of the microscopic fields. We further demonstrate with a proof of concept example, that the proposed theoretical framework can be used to perform multiscale numerical simulations. The results are compared with standard single-scale finite element simulations, showcasing the capability of the method to capture the dispersive nature of the medium in the range of frequencies permitted by the multiscale strategy.

An extended algebraic variational multiscale-multigrid-multifractal method (XAVM4) for large-eddy simulation of turbulent two-phase flow

NASA Astrophysics Data System (ADS)

Rasthofer, U.; Wall, W. A.; Gravemeier, V.

2018-04-01

A novel and comprehensive computational method, referred to as the eXtended Algebraic Variational Multiscale-Multigrid-Multifractal Method (XAVM4), is proposed for large-eddy simulation of the particularly challenging problem of turbulent two-phase flow. The XAVM4 involves multifractal subgrid-scale modeling as well as a Nitsche-type extended finite element method as an approach for two-phase flow. The application of an advanced structural subgrid-scale modeling approach in conjunction with a sharp representation of the discontinuities at the interface between two bulk fluids promise high-fidelity large-eddy simulation of turbulent two-phase flow. The high potential of the XAVM4 is demonstrated for large-eddy simulation of turbulent two-phase bubbly channel flow, that is, turbulent channel flow carrying a single large bubble of the size of the channel half-width in this particular application.

Full-wave multiscale anisotropy tomography in Southern California

NASA Astrophysics Data System (ADS)

Lin, Yu-Pin; Zhao, Li; Hung, Shu-Huei

2014-12-01

Understanding the spatial variation of anisotropy in the upper mantle is important for characterizing the lithospheric deformation and mantle flow dynamics. In this study, we apply a full-wave approach to image the upper-mantle anisotropy in Southern California using 5954 SKS splitting data. Three-dimensional sensitivity kernels combined with a wavelet-based model parameterization are adopted in a multiscale inversion. Spatial resolution lengths are estimated based on a statistical resolution matrix approach, showing a finest resolution length of ~25 km in regions with densely distributed stations. The anisotropic model displays structural fabric in relation to surface geologic features such as the Salton Trough, the Transverse Ranges, and the San Andreas Fault. The depth variation of anisotropy does not suggest a lithosphere-asthenosphere decoupling. At long wavelengths, the fast directions of anisotropy are aligned with the absolute plate motion inside the Pacific and North American plates.

Gyrokinetic predictions of multiscale transport in a DIII-D ITER baseline discharge

NASA Astrophysics Data System (ADS)

Holland, C.; Howard, N. T.; Grierson, B. A.

2017-06-01

New multiscale gyrokinetic simulations predict that electron energy transport in a DIII-D ITER baseline discharge with dominant electron heating and low input torque is multiscale in nature, with roughly equal amounts of the electron energy flux Q e coming from long wavelength ion-scale (k y ρ s  <  1) and short wavelength electron-scale (k y ρ s  >  1) fluctuations when the gyrokinetic results match independent power balance calculations. Corresponding conventional ion-scale simulations are able to match the power balance ion energy flux Q i, but systematically underpredict Q e when doing so. Significant nonlinear cross-scale couplings are observed in the multiscale simulations, but the exact simulation predictions are found to be extremely sensitive to variations of model input parameters within experimental uncertainties. Most notably, depending upon the exact value of the equilibrium E  ×  B shearing rate γ E×B used, either enhancement or suppression of the long-wavelength turbulence and transport levels in the multiscale simulations is observed relative to what is predicted by ion-scale simulations. While the enhancement of the long wavelength fluctuations by inclusion of the short wavelength turbulence was previously observed in similar multiscale simulations of an Alcator C-Mod L-mode discharge, these new results show for the first time a complete suppression of long-wavelength turbulence in a multiscale simulation, for parameters at which conventional ion-scale simulation predicts small but finite levels of low-k turbulence and transport consistent with the power balance Q i. Although computational resource limitations prevent a fully rigorous validation assessment of these new results, they provide significant new evidence that electron energy transport in burning plasmas is likely to have a strong multiscale character, with significant nonlinear cross-scale couplings that must be fully understood to predict the performance of those plasmas with confidence.

Multiscale 3D Shape Analysis using Spherical Wavelets

PubMed Central

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2013-01-01

Shape priors attempt to represent biological variations within a population. When variations are global, Principal Component Analysis (PCA) can be used to learn major modes of variation, even from a limited training set. However, when significant local variations exist, PCA typically cannot represent such variations from a small training set. To address this issue, we present a novel algorithm that learns shape variations from data at multiple scales and locations using spherical wavelets and spectral graph partitioning. Our results show that when the training set is small, our algorithm significantly improves the approximation of shapes in a testing set over PCA, which tends to oversmooth data. PMID:16685992

Multiscale 3D shape analysis using spherical wavelets.

PubMed

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen R

2005-01-01

Shape priors attempt to represent biological variations within a population. When variations are global, Principal Component Analysis (PCA) can be used to learn major modes of variation, even from a limited training set. However, when significant local variations exist, PCA typically cannot represent such variations from a small training set. To address this issue, we present a novel algorithm that learns shape variations from data at multiple scales and locations using spherical wavelets and spectral graph partitioning. Our results show that when the training set is small, our algorithm significantly improves the approximation of shapes in a testing set over PCA, which tends to oversmooth data.

Blast and the Consequences on Traumatic Brain Injury-Multiscale Mechanical Modeling of Brain

DTIC Science & Technology

2011-02-17

blast simulation. LS-DYNA as an explicit FE code has been employed to simulate this multi- material fluid –structure interaction problem. The 3-D head...formulation is implemented to model the air-blast simulation. LS-DYNA as an explicit FE code has been employed to simulate this multi-material fluid ...Biomechanics Study of Influencing Parameters for brain under Impact ............................... 12 5.1 The Impact of Cerebrospinal Fluid

Chimaera simulation of complex states of flowing matter

PubMed Central

2016-01-01

We discuss a unified mesoscale framework (chimaera) for the simulation of complex states of flowing matter across scales of motion. The chimaera framework can deal with each of the three macro–meso–micro levels through suitable ‘mutations’ of the basic mesoscale formulation. The idea is illustrated through selected simulations of complex micro- and nanoscale flows. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’. PMID:27698031

Quantum dynamics in continuum for proton transport—Generalized correlation

NASA Astrophysics Data System (ADS)

Chen, Duan; Wei, Guo-Wei

2012-04-01

As a key process of many biological reactions such as biological energy transduction or human sensory systems, proton transport has attracted much research attention in biological, biophysical, and mathematical fields. A quantum dynamics in continuum framework has been proposed to study proton permeation through membrane proteins in our earlier work and the present work focuses on the generalized correlation of protons with their environment. Being complementary to electrostatic potentials, generalized correlations consist of proton-proton, proton-ion, proton-protein, and proton-water interactions. In our approach, protons are treated as quantum particles while other components of generalized correlations are described classically and in different levels of approximations upon simulation feasibility and difficulty. Specifically, the membrane protein is modeled as a group of discrete atoms, while ion densities are approximated by Boltzmann distributions, and water molecules are represented as a dielectric continuum. These proton-environment interactions are formulated as convolutions between number densities of species and their corresponding interaction kernels, in which parameters are obtained from experimental data. In the present formulation, generalized correlations are important components in the total Hamiltonian of protons, and thus is seamlessly embedded in the multiscale/multiphysics total variational model of the system. It takes care of non-electrostatic interactions, including the finite size effect, the geometry confinement induced channel barriers, dehydration and hydrogen bond effects, etc. The variational principle or the Euler-Lagrange equation is utilized to minimize the total energy functional, which includes the total Hamiltonian of protons, and obtain a new version of generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation and generalized Kohn-Sham equation. A set of numerical algorithms, such as the matched interface and boundary method, the Dirichlet to Neumann mapping, Gummel iteration, and Krylov space techniques, is employed to improve the accuracy, efficiency, and robustness of model simulations. Finally, comparisons between the present model predictions and experimental data of current-voltage curves, as well as current-concentration curves of the Gramicidin A channel, verify our new model.

Dark-field X-ray microscopy for multiscale structural characterization

NASA Astrophysics Data System (ADS)

Simons, H.; King, A.; Ludwig, W.; Detlefs, C.; Pantleon, W.; Schmidt, S.; Snigireva, I.; Snigirev, A.; Poulsen, H. F.

2015-01-01

Many physical and mechanical properties of crystalline materials depend strongly on their internal structure, which is typically organized into grains and domains on several length scales. Here we present dark-field X-ray microscopy; a non-destructive microscopy technique for the three-dimensional mapping of orientations and stresses on lengths scales from 100 nm to 1 mm within embedded sampling volumes. The technique, which allows ‘zooming’ in and out in both direct and angular space, is demonstrated by an annealing study of plastically deformed aluminium. Facilitating the direct study of the interactions between crystalline elements is a key step towards the formulation and validation of multiscale models that account for the entire heterogeneity of a material. Furthermore, dark-field X-ray microscopy is well suited to applied topics, where the structural evolution of internal nanoscale elements (for example, positioned at interfaces) is crucial to the performance and lifetime of macro-scale devices and components thereof.

Mixed Arlequin method for multiscale poromechanics problems: Mixed Arlequin method for multiscale poromechanics problems

DOE PAGES

Sun, WaiChing; Cai, Zhijun; Choo, Jinhyun

2016-11-18

An Arlequin poromechanics model is introduced to simulate the hydro-mechanical coupling effects of fluid-infiltrated porous media across different spatial scales within a concurrent computational framework. A two-field poromechanics problem is first recast as the twofold saddle point of an incremental energy functional. We then introduce Lagrange multipliers and compatibility energy functionals to enforce the weak compatibility of hydro-mechanical responses in the overlapped domain. Here, to examine the numerical stability of this hydro-mechanical Arlequin model, we derive a necessary condition for stability, the twofold inf–sup condition for multi-field problems, and establish a modified inf–sup test formulated in the product space ofmore » the solution field. We verify the implementation of the Arlequin poromechanics model through benchmark problems covering the entire range of drainage conditions. Finally, through these numerical examples, we demonstrate the performance, robustness, and numerical stability of the Arlequin poromechanics model.« less

DTN routing in body sensor networks with dynamic postural partitioning.

PubMed

Quwaider, Muhannad; Biswas, Subir

2010-11-01

This paper presents novel store-and-forward packet routing algorithms for Wireless Body Area Networks ( WBAN ) with frequent postural partitioning. A prototype WBAN has been constructed for experimentally characterizing on-body topology disconnections in the presence of ultra short range radio links, unpredictable RF attenuation, and human postural mobility. On-body DTN routing protocols are then developed using a stochastic link cost formulation, capturing multi-scale topological localities in human postural movements. Performance of the proposed protocols are evaluated experimentally and via simulation, and are compared with a number of existing single-copy DTN routing protocols and an on-body packet flooding mechanism that serves as a performance benchmark with delay lower-bound. It is shown that via multi-scale modeling of the spatio-temporal locality of on-body link disconnection patterns, the proposed algorithms can provide better routing performance compared to a number of existing probabilistic, opportunistic, and utility-based DTN routing protocols in the literature.

Analysing and correcting the differences between multi-source and multi-scale spatial remote sensing observations.

PubMed

Dong, Yingying; Luo, Ruisen; Feng, Haikuan; Wang, Jihua; Zhao, Jinling; Zhu, Yining; Yang, Guijun

2014-01-01

Differences exist among analysis results of agriculture monitoring and crop production based on remote sensing observations, which are obtained at different spatial scales from multiple remote sensors in same time period, and processed by same algorithms, models or methods. These differences can be mainly quantitatively described from three aspects, i.e. multiple remote sensing observations, crop parameters estimation models, and spatial scale effects of surface parameters. Our research proposed a new method to analyse and correct the differences between multi-source and multi-scale spatial remote sensing surface reflectance datasets, aiming to provide references for further studies in agricultural application with multiple remotely sensed observations from different sources. The new method was constructed on the basis of physical and mathematical properties of multi-source and multi-scale reflectance datasets. Theories of statistics were involved to extract statistical characteristics of multiple surface reflectance datasets, and further quantitatively analyse spatial variations of these characteristics at multiple spatial scales. Then, taking the surface reflectance at small spatial scale as the baseline data, theories of Gaussian distribution were selected for multiple surface reflectance datasets correction based on the above obtained physical characteristics and mathematical distribution properties, and their spatial variations. This proposed method was verified by two sets of multiple satellite images, which were obtained in two experimental fields located in Inner Mongolia and Beijing, China with different degrees of homogeneity of underlying surfaces. Experimental results indicate that differences of surface reflectance datasets at multiple spatial scales could be effectively corrected over non-homogeneous underlying surfaces, which provide database for further multi-source and multi-scale crop growth monitoring and yield prediction, and their corresponding consistency analysis evaluation.

Analysing and Correcting the Differences between Multi-Source and Multi-Scale Spatial Remote Sensing Observations

PubMed Central

Dong, Yingying; Luo, Ruisen; Feng, Haikuan; Wang, Jihua; Zhao, Jinling; Zhu, Yining; Yang, Guijun

2014-01-01

Differences exist among analysis results of agriculture monitoring and crop production based on remote sensing observations, which are obtained at different spatial scales from multiple remote sensors in same time period, and processed by same algorithms, models or methods. These differences can be mainly quantitatively described from three aspects, i.e. multiple remote sensing observations, crop parameters estimation models, and spatial scale effects of surface parameters. Our research proposed a new method to analyse and correct the differences between multi-source and multi-scale spatial remote sensing surface reflectance datasets, aiming to provide references for further studies in agricultural application with multiple remotely sensed observations from different sources. The new method was constructed on the basis of physical and mathematical properties of multi-source and multi-scale reflectance datasets. Theories of statistics were involved to extract statistical characteristics of multiple surface reflectance datasets, and further quantitatively analyse spatial variations of these characteristics at multiple spatial scales. Then, taking the surface reflectance at small spatial scale as the baseline data, theories of Gaussian distribution were selected for multiple surface reflectance datasets correction based on the above obtained physical characteristics and mathematical distribution properties, and their spatial variations. This proposed method was verified by two sets of multiple satellite images, which were obtained in two experimental fields located in Inner Mongolia and Beijing, China with different degrees of homogeneity of underlying surfaces. Experimental results indicate that differences of surface reflectance datasets at multiple spatial scales could be effectively corrected over non-homogeneous underlying surfaces, which provide database for further multi-source and multi-scale crop growth monitoring and yield prediction, and their corresponding consistency analysis evaluation. PMID:25405760

Multiscale geometric modeling of macromolecules I: Cartesian representation

NASA Astrophysics Data System (ADS)

Xia, Kelin; Feng, Xin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

2014-01-01

This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace-Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the polarized curvature, for the prediction of protein binding sites.

Multi-Scale Morphological Analysis of Conductance Signals in Vertical Upward Gas-Liquid Two-Phase Flow

NASA Astrophysics Data System (ADS)

Lian, Enyang; Ren, Yingyu; Han, Yunfeng; Liu, Weixin; Jin, Ningde; Zhao, Junying

2016-11-01

The multi-scale analysis is an important method for detecting nonlinear systems. In this study, we carry out experiments and measure the fluctuation signals from a rotating electric field conductance sensor with eight electrodes. We first use a recurrence plot to recognise flow patterns in vertical upward gas-liquid two-phase pipe flow from measured signals. Then we apply a multi-scale morphological analysis based on the first-order difference scatter plot to investigate the signals captured from the vertical upward gas-liquid two-phase flow loop test. We find that the invariant scaling exponent extracted from the multi-scale first-order difference scatter plot with the bisector of the second-fourth quadrant as the reference line is sensitive to the inhomogeneous distribution characteristics of the flow structure, and the variation trend of the exponent is helpful to understand the process of breakup and coalescence of the gas phase. In addition, we explore the dynamic mechanism influencing the inhomogeneous distribution of the gas phase in terms of adaptive optimal kernel time-frequency representation. The research indicates that the system energy is a factor influencing the distribution of the gas phase and the multi-scale morphological analysis based on the first-order difference scatter plot is an effective method for indicating the inhomogeneous distribution of the gas phase in gas-liquid two-phase flow.

Chimaera simulation of complex states of flowing matter.

PubMed

Succi, S

2016-11-13

We discuss a unified mesoscale framework (chimaera) for the simulation of complex states of flowing matter across scales of motion. The chimaera framework can deal with each of the three macro-meso-micro levels through suitable 'mutations' of the basic mesoscale formulation. The idea is illustrated through selected simulations of complex micro- and nanoscale flows.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Evaluating and Improving Cloud Processes in the Multi-Scale Modeling Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ackerman, Thomas P.

2015-03-01

The research performed under this grant was intended to improve the embedded cloud model in the Multi-scale Modeling Framework (MMF) for convective clouds by using a 2-moment microphysics scheme rather than the single moment scheme used in all the MMF runs to date. The technical report and associated documents describe the results of testing the cloud resolving model with fixed boundary conditions and evaluation of model results with data. The overarching conclusion is that such model evaluations are problematic because errors in the forcing fields control the results so strongly that variations in parameterization values cannot be usefully constrained

A multiscale restriction-smoothed basis method for high contrast porous media represented on unstructured grids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Møyner, Olav, E-mail: olav.moyner@sintef.no; Lie, Knut-Andreas, E-mail: knut-andreas.lie@sintef.no

2016-01-01

A wide variety of multiscale methods have been proposed in the literature to reduce runtime and provide better scaling for the solution of Poisson-type equations modeling flow in porous media. We present a new multiscale restricted-smoothed basis (MsRSB) method that is designed to be applicable to both rectilinear grids and unstructured grids. Like many other multiscale methods, MsRSB relies on a coarse partition of the underlying fine grid and a set of local prolongation operators (multiscale basis functions) that map unknowns associated with the fine grid cells to unknowns associated with blocks in the coarse partition. These mappings are constructedmore » by restricted smoothing: Starting from a constant, a localized iterative scheme is applied directly to the fine-scale discretization to compute prolongation operators that are consistent with the local properties of the differential operators. The resulting method has three main advantages: First of all, both the coarse and the fine grid can have general polyhedral geometry and unstructured topology. This means that partitions and good prolongation operators can easily be constructed for complex models involving high media contrasts and unstructured cell connections introduced by faults, pinch-outs, erosion, local grid refinement, etc. In particular, the coarse partition can be adapted to geological or flow-field properties represented on cells or faces to improve accuracy. Secondly, the method is accurate and robust when compared to existing multiscale methods and does not need expensive recomputation of local basis functions to account for transient behavior: Dynamic mobility changes are incorporated by continuing to iterate a few extra steps on existing basis functions. This way, the cost of updating the prolongation operators becomes proportional to the amount of change in fluid mobility and one reduces the need for expensive, tolerance-based updates. Finally, since the MsRSB method is formulated on top of a cell-centered, conservative, finite-volume method, it is applicable to any flow model in which one can isolate a pressure equation. Herein, we only discuss single and two-phase incompressible models. Compressible flow, e.g., as modeled by the black-oil equations, is discussed in a separate paper.« less

Standard Model in multiscale theories and observational constraints

NASA Astrophysics Data System (ADS)

Calcagni, Gianluca; Nardelli, Giuseppe; Rodríguez-Fernández, David

2016-08-01

We construct and analyze the Standard Model of electroweak and strong interactions in multiscale spacetimes with (i) weighted derivatives and (ii) q -derivatives. Both theories can be formulated in two different frames, called fractional and integer picture. By definition, the fractional picture is where physical predictions should be made. (i) In the theory with weighted derivatives, it is shown that gauge invariance and the requirement of having constant masses in all reference frames make the Standard Model in the integer picture indistinguishable from the ordinary one. Experiments involving only weak and strong forces are insensitive to a change of spacetime dimensionality also in the fractional picture, and only the electromagnetic and gravitational sectors can break the degeneracy. For the simplest multiscale measures with only one characteristic time, length and energy scale t*, ℓ* and E*, we compute the Lamb shift in the hydrogen atom and constrain the multiscale correction to the ordinary result, getting the absolute upper bound t*<10-23 s . For the natural choice α0=1 /2 of the fractional exponent in the measure, this bound is strengthened to t*<10-29 s , corresponding to ℓ*<10-20 m and E*>28 TeV . Stronger bounds are obtained from the measurement of the fine-structure constant. (ii) In the theory with q -derivatives, considering the muon decay rate and the Lamb shift in light atoms, we obtain the independent absolute upper bounds t*<10-13 s and E*>35 MeV . For α0=1 /2 , the Lamb shift alone yields t*<10-27 s , ℓ*<10-19 m and E*>450 GeV .

Dissecting the multi-scale spatial relationship of earthworm assemblages with soil environmental variability.

PubMed

Jiménez, Juan J; Decaëns, Thibaud; Lavelle, Patrick; Rossi, Jean-Pierre

2014-12-05

Studying the drivers and determinants of species, population and community spatial patterns is central to ecology. The observed structure of community assemblages is the result of deterministic abiotic (environmental constraints) and biotic factors (positive and negative species interactions), as well as stochastic colonization events (historical contingency). We analyzed the role of multi-scale spatial component of soil environmental variability in structuring earthworm assemblages in a gallery forest from the Colombian "Llanos". We aimed to disentangle the spatial scales at which species assemblages are structured and determine whether these scales matched those expressed by soil environmental variables. We also tested the hypothesis of the "single tree effect" by exploring the spatial relationships between root-related variables and soil nutrient and physical variables in structuring earthworm assemblages. Multivariate ordination techniques and spatially explicit tools were used, namely cross-correlograms, Principal Coordinates of Neighbor Matrices (PCNM) and variation partitioning analyses. The relationship between the spatial organization of earthworm assemblages and soil environmental parameters revealed explicitly multi-scale responses. The soil environmental variables that explained nested population structures across the multi-spatial scale gradient differed for earthworms and assemblages at the very-fine- (<10 m) to medium-scale (10-20 m). The root traits were correlated with areas of high soil nutrient contents at a depth of 0-5 cm. Information on the scales of PCNM variables was obtained using variogram modeling. Based on the size of the plot, the PCNM variables were arbitrarily allocated to medium (>30 m), fine (10-20 m) and very fine scales (<10 m). Variation partitioning analysis revealed that the soil environmental variability explained from less than 1% to as much as 48% of the observed earthworm spatial variation. A large proportion of the spatial variation did not depend on the soil environmental variability for certain species. This finding could indicate the influence of contagious biotic interactions, stochastic factors, or unmeasured relevant soil environmental variables.

Multiscale Image Processing of Solar Image Data

NASA Astrophysics Data System (ADS)

Young, C.; Myers, D. C.

2001-12-01

It is often said that the blessing and curse of solar physics is too much data. Solar missions such as Yohkoh, SOHO and TRACE have shown us the Sun with amazing clarity but have also increased the amount of highly complex data. We have improved our view of the Sun yet we have not improved our analysis techniques. The standard techniques used for analysis of solar images generally consist of observing the evolution of features in a sequence of byte scaled images or a sequence of byte scaled difference images. The determination of features and structures in the images are done qualitatively by the observer. There is little quantitative and objective analysis done with these images. Many advances in image processing techniques have occured in the past decade. Many of these methods are possibly suited for solar image analysis. Multiscale/Multiresolution methods are perhaps the most promising. These methods have been used to formulate the human ability to view and comprehend phenomena on different scales. So these techniques could be used to quantitify the imaging processing done by the observers eyes and brains. In this work we present several applications of multiscale techniques applied to solar image data. Specifically, we discuss uses of the wavelet, curvelet, and related transforms to define a multiresolution support for EIT, LASCO and TRACE images.

Construction Strategies for Multiscale Personality Inventories

ERIC Educational Resources Information Center

Burisch, Matthias

1978-01-01

Sets of inventory scales were constructed from a common item pool, using variants of what are here called the Inductive, Deductive, and External strategies. Peer ratings for 21 traits served as criteria. Very little variation in validity was attributable to construction strategies. (Author/CTM)

Constrained and Unconstrained Variational Finite Element Formulation of Solutions to a Stress Wave Problem - a Numerical Comparison.

DTIC Science & Technology

1982-10-01

Element Unconstrained Variational Formulations," Innovativ’e Numerical Analysis For the Applied Engineering Science, R. P. Shaw, et at, Fitor...Initial Boundary Value of Gun Dynamics Solved by Finite Element Unconstrained Variational Formulations," Innovative Numerical Analysis For the Applied ... Engineering Science, R. P. Shaw, et al, Editors, University Press of Virginia, Charlottesville, pp. 733-741, 1980. 2 J. J. Wu, "Solutions to Initial

Multiscale properties of weighted total variation flow with applications to denoising and registration.

PubMed

Athavale, Prashant; Xu, Robert; Radau, Perry; Nachman, Adrian; Wright, Graham A

2015-07-01

Images consist of structures of varying scales: large scale structures such as flat regions, and small scale structures such as noise, textures, and rapidly oscillatory patterns. In the hierarchical (BV, L(2)) image decomposition, Tadmor, et al. (2004) start with extracting coarse scale structures from a given image, and successively extract finer structures from the residuals in each step of the iterative decomposition. We propose to begin instead by extracting the finest structures from the given image and then proceed to extract increasingly coarser structures. In most images, noise could be considered as a fine scale structure. Thus, starting the image decomposition with finer scales, rather than large scales, leads to fast denoising. We note that our approach turns out to be equivalent to the nonstationary regularization in Scherzer and Weickert (2000). The continuous limit of this procedure leads to a time-scaled version of total variation flow. Motivated by specific clinical applications, we introduce an image depending weight in the regularization functional, and study the corresponding weighted TV flow. We show that the edge-preserving property of the multiscale representation of an input image obtained with the weighted TV flow can be enhanced and localized by appropriate choice of the weight. We use this in developing an efficient and edge-preserving denoising algorithm with control on speed and localization properties. We examine analytical properties of the weighted TV flow that give precise information about the denoising speed and the rate of change of energy of the images. An additional contribution of the paper is to use the images obtained at different scales for robust multiscale registration. We show that the inherently multiscale nature of the weighted TV flow improved performance for registration of noisy cardiac MRI images, compared to other methods such as bilateral or Gaussian filtering. A clinical application of the multiscale registration algorithm is also demonstrated for aligning viability assessment magnetic resonance (MR) images from 8 patients with previous myocardial infarctions. Copyright © 2015. Published by Elsevier B.V.

Unsteady Flow in Different Atmospheric Boundary Layer Regimes and Its Impact on Wind-Turbine Performance

NASA Astrophysics Data System (ADS)

Gohari, Iman; Korobenko, Artem; Yan, Jinhui; Bazilevs, Yuri; Sarkar, Sutanu

2016-11-01

Wind is a renewable energy resource that offers several advantages including low pollutant emission and inexpensive construction. Wind turbines operate in conditions dictated by the Atmospheric Boundary Layer (ABL) and that motivates the study of coupling ABL simulations with wind turbine dynamics. The ABL simulations can be used for realistic modeling of the environment which, with the use of fluid-structure interaction, can give realistic predictions of extracted power, rotor loading, and blade structural response. The ABL simulations provide inflow boundary conditions to the wind-turbine simulator which uses arbitrary Lagrangian-Eulerian variational multiscale formulation. In the present work, ABL simulations are performed to examine two different scenarios: (i) A neutral ABL with zero heat-flux and inversion layer at 350m, in which the wind turbine experiences maximum mean shear; (2) A shallow ABL with the surface cooling-rate of -1 K/hr, in which the wind turbine experiences maximum mean velocity at the low-level-jet nose height. We will discuss differences in the unsteady flow between the two different ABL conditions and their impact on the performance of the wind turbine cluster in the coupled ABL-wind turbine simulations.

Multi-Scale Spatio-Temporal Modeling: Lifelines of Microorganisms in Bioreactors and Tracking Molecules in Cells

NASA Astrophysics Data System (ADS)

Lapin, Alexei; Klann, Michael; Reuss, Matthias

Agent-based models are rigorous tools for simulating the interactions of individual entities, such as organisms or molecules within cells and assessing their effects on the dynamic behavior of the system as a whole. In context with bioprocess and biosystems engineering there are several interesting and important applications. This contribution aims at introducing this strategy with the aid of two examples characterized by striking distinctions in the scale of the individual entities and the mode of their interactions. In the first example a structured-segregated model is applied to travel along the lifelines of single cells in the environment of a three-dimensional turbulent field of a stirred bioreactor. The modeling approach is based on an Euler-Lagrange formulation of the system. The strategy permits one to account for the heterogeneity present in real reactors in both the fluid and cellular phases, respectively. The individual response of the cells to local variations in the extracellular concentrations is pictured by a dynamically structured model of the key reactions of the central metabolism. The approach permits analysis of the lifelines of individual cells in space and time.

Integrating Intracellular Dynamics Using CompuCell3D and Bionetsolver: Applications to Multiscale Modelling of Cancer Cell Growth and Invasion

PubMed Central

Andasari, Vivi; Roper, Ryan T.; Swat, Maciej H.; Chaplain, Mark A. J.

2012-01-01

In this paper we present a multiscale, individual-based simulation environment that integrates CompuCell3D for lattice-based modelling on the cellular level and Bionetsolver for intracellular modelling. CompuCell3D or CC3D provides an implementation of the lattice-based Cellular Potts Model or CPM (also known as the Glazier-Graner-Hogeweg or GGH model) and a Monte Carlo method based on the metropolis algorithm for system evolution. The integration of CC3D for cellular systems with Bionetsolver for subcellular systems enables us to develop a multiscale mathematical model and to study the evolution of cell behaviour due to the dynamics inside of the cells, capturing aspects of cell behaviour and interaction that is not possible using continuum approaches. We then apply this multiscale modelling technique to a model of cancer growth and invasion, based on a previously published model of Ramis-Conde et al. (2008) where individual cell behaviour is driven by a molecular network describing the dynamics of E-cadherin and -catenin. In this model, which we refer to as the centre-based model, an alternative individual-based modelling technique was used, namely, a lattice-free approach. In many respects, the GGH or CPM methodology and the approach of the centre-based model have the same overall goal, that is to mimic behaviours and interactions of biological cells. Although the mathematical foundations and computational implementations of the two approaches are very different, the results of the presented simulations are compatible with each other, suggesting that by using individual-based approaches we can formulate a natural way of describing complex multi-cell, multiscale models. The ability to easily reproduce results of one modelling approach using an alternative approach is also essential from a model cross-validation standpoint and also helps to identify any modelling artefacts specific to a given computational approach. PMID:22461894

Gyrokinetic predictions of multiscale transport in a DIII-D ITER baseline discharge

DOE PAGES

Holland, C.; Howard, N. T.; Grierson, B. A.

2017-05-08

New multiscale gyrokinetic simulations predict that electron energy transport in a DIII-D ITER baseline discharge with dominant electron heating and low input torque is multiscale in nature, with roughly equal amounts of the electron energy flux Q e coming from long wavelength ion-scale (k yρ s < 1) and short wavelength electron-scale (k yρ s > 1) fluctuations when the gyrokinetic results match independent power balance calculations. Corresponding conventional ion-scale simulations are able to match the power balance ion energy flux Q i, but systematically underpredict Q e when doing so. We observe significant nonlinear cross-scale couplings in the multiscalemore » simulations, but the exact simulation predictions are found to be extremely sensitive to variations of model input parameters within experimental uncertainties. Most notably, depending upon the exact value of the equilibrium E x B shearing rate γ E x B used, either enhancement or suppression of the long-wavelength turbulence and transport levels in the multiscale simulations is observed relative to what is predicted by ion-scale simulations. And while the enhancement of the long wavelength fluctuations by inclusion of the short wavelength turbulence was previously observed in similar multiscale simulations of an Alcator C-Mod L-mode discharge, these new results show for the first time a complete suppression of long-wavelength turbulence in a multiscale simulation, for parameters at which conventional ion-scale simulation predicts small but finite levels of low-k turbulence and transport consistent with the power balance Q i. Though computational resource limitations prevent a fully rigorous validation assessment of these new results, they provide significant new evidence that electron energy transport in burning plasmas is likely to have a strong multiscale character, with significant nonlinear cross-scale couplings that must be fully understood to predict the performance of those plasmas with confidence.« less

Developments in variational methods for high performance plate and shell elements

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Militello, Carmelo

1991-01-01

High performance elements are simple finite elements constructed to deliver engineering accuracy with coarse arbitrary grids. This is part of a series on the variational foundations of high-performance elements, with emphasis on plate and shell elements constructed with the free formulation (FF) and assumed natural strain (ANS) methods. Parameterized variational principles are studied that provide a common foundation for the FF and ANS methods, as well as for a combination of both. From this unified formulation a variant of the ANS formulation, called the assumed natural deviatoric strain (ANDES) formulation, emerges as an important special case. The first ANDES element, a high-performance 9 degrees of freedom triangular Kirchhoff plate bending element, is briefly described to illustrate the use of the new formulation.

Multiscale analyses of solar-induced florescence and gross primary production

USDA-ARS?s Scientific Manuscript database

Remotely sensed solar induced fluorescence (SIF) has shown great promise for probing spatiotemporal variations in terrestrial gross primary production (GPP), the largest component flux of the global carbon cycle. However, scale mismatches between SIF and ground-based GPP have posed challenges toward...

Qualitative and Quantitative Assessment of Four Marketed Formulations of Brahmi

PubMed Central

Saini, Neeti; Mathur, Rajani; Agrawal, S. S.

2012-01-01

This study was conducted with the aim to compare two batches each of four popular commercial formulations of Bacopa monnieri (Brahmi), and report, if any, inter-batch variations. The formulations were procured from local market and analyzed for label specifications, uniformity of weight of capsule, identity, purity and strength parameters (total ash content test, acid insoluble ash content, water soluble extractive, alcohol soluble extractive, loss on drying). Bacoside A, one of the pharmacologically active saponin present in B. monnieri, was quantified in all the formulations using UV-spectrophotometer. In addition each formulation was assessed and compared for variation in biological activity using in vitro test for hemolytic activity using human erythrocytes. The results of the study show that there is a wide variation in the quality and content of herbal drugs marketed by different manufacturers. More importantly this study demonstrates that there exists a bigger challenge of batch-to-batch variation in the quality and content of herbal formulations of the same manufacturer. This challenge of providing standardized formulations is being faced by not any one manufacturing house but by all, and may be attributed firstly to, lack of stringent regulations and secondly to high variability in raw material quality. PMID:23204618

Qualitative and quantitative assessment of four marketed formulations of brahmi.

PubMed

Saini, Neeti; Mathur, Rajani; Agrawal, S S

2012-01-01

This study was conducted with the aim to compare two batches each of four popular commercial formulations of Bacopa monnieri (Brahmi), and report, if any, inter-batch variations. The formulations were procured from local market and analyzed for label specifications, uniformity of weight of capsule, identity, purity and strength parameters (total ash content test, acid insoluble ash content, water soluble extractive, alcohol soluble extractive, loss on drying). Bacoside A, one of the pharmacologically active saponin present in B. monnieri, was quantified in all the formulations using UV-spectrophotometer. In addition each formulation was assessed and compared for variation in biological activity using in vitro test for hemolytic activity using human erythrocytes. The results of the study show that there is a wide variation in the quality and content of herbal drugs marketed by different manufacturers. More importantly this study demonstrates that there exists a bigger challenge of batch-to-batch variation in the quality and content of herbal formulations of the same manufacturer. This challenge of providing standardized formulations is being faced by not any one manufacturing house but by all, and may be attributed firstly to, lack of stringent regulations and secondly to high variability in raw material quality.

Presymplectic current and the inverse problem of the calculus of variations

NASA Astrophysics Data System (ADS)

Khavkine, Igor

2013-11-01

The inverse problem of the calculus of variations asks whether a given system of partial differential equations (PDEs) admits a variational formulation. We show that the existence of a presymplectic form in the variational bicomplex, when horizontally closed on solutions, allows us to construct a variational formulation for a subsystem of the given PDE. No constraints on the differential order or number of dependent or independent variables are assumed. The proof follows a recent observation of Bridges, Hydon, and Lawson [Math. Proc. Cambridge Philos. Soc. 148(01), 159-178 (2010)] and generalizes an older result of Henneaux [Ann. Phys. 140(1), 45-64 (1982)] from ordinary differential equations (ODEs) to PDEs. Uniqueness of the variational formulation is also discussed.

Novel residual-based large eddy simulation turbulence models for incompressible magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Sondak, David

The goal of this work was to develop, introduce, and test a promising computational paradigm for the development of turbulence models for incompressible magnetohydrodynamics (MHD). MHD governs the behavior of an electrically conducting fluid in the presence of an external electromagnetic (EM) field. The incompressible MHD model is used in many engineering and scientific disciplines from the development of nuclear fusion as a sustainable energy source to the study of space weather and solar physics. Many interesting MHD systems exhibit the phenomenon of turbulence which remains an elusive problem from all scientific perspectives. This work focuses on the computational perspective and proposes techniques that enable the study of systems involving MHD turbulence. Direct numerical simulation (DNS) is not a feasible approach for studying MHD turbulence. In this work, turbulence models for incompressible MHD were developed from the variational multiscale (VMS) formulation wherein the solution fields were decomposed into resolved and unresolved components. The unresolved components were modeled with a term that is proportional to the residual of the resolved scales. Two additional MHD models were developed based off of the VMS formulation: a residual-based eddy viscosity (RBEV) model and a mixed model that partners the VMS formulation with the RBEV model. These models are endowed with several special numerical and physics features. Included in the numerical features is the internal numerical consistency of each of the models. Physically, the new models are able to capture desirable MHD physics such as the inverse cascade of magnetic energy and the subgrid dynamo effect. The models were tested with a Fourier-spectral numerical method and the finite element method (FEM). The primary test problem was the Taylor-Green vortex. Results comparing the performance of the new models to DNS were obtained. The performance of the new models was compared to classic and cutting-edge dynamic Smagorinsky eddy viscosity (DSEV) models. The new models typically outperform the classical models.

A multi-scale Q1/P0 approach to langrangian shock hydrodynamics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shashkov, Mikhail; Love, Edward; Scovazzi, Guglielmo

A new multi-scale, stabilized method for Q1/P0 finite element computations of Lagrangian shock hydrodynamics is presented. Instabilities (of hourglass type) are controlled by a stabilizing operator derived using the variational multi-scale analysis paradigm. The resulting stabilizing term takes the form of a pressure correction. With respect to currently implemented hourglass control approaches, the novelty of the method resides in its residual-based character. The stabilizing residual has a definite physical meaning, since it embeds a discrete form of the Clausius-Duhem inequality. Effectively, the proposed stabilization samples and acts to counter the production of entropy due to numerical instabilities. The proposed techniquemore » is applicable to materials with no shear strength, for which there exists a caloric equation of state. The stabilization operator is incorporated into a mid-point, predictor/multi-corrector time integration algorithm, which conserves mass, momentum and total energy. Encouraging numerical results in the context of compressible gas dynamics confirm the potential of the method.« less

Multiscale mechanisms of nutritionally induced property variation in spider silks.

PubMed

Blamires, Sean J; Nobbs, Madeleine; Martens, Penny J; Tso, I-Min; Chuang, Wei-Tsung; Chang, Chung-Kai; Sheu, Hwo-Shuenn

2018-01-01

Variability in spider major ampullate (MA) silk properties at different scales has proven difficult to determine and remains an obstacle to the development of synthetic fibers mimicking MA silk performance. A multitude of techniques may be used to measure multiscale aspects of silk properties. Here we fed five species of Araneoid spider solutions that either contained protein or were protein deprived and performed silk tensile tests, small and wide-angle X-ray scattering (SAXS/WAXS), amino acid composition analyses, and silk gene expression analyses, to resolve persistent questions about how nutrient deprivation induces variations in MA silk mechanical properties across scales. Our analyses found that the properties of each spider's silk varied differently in response to variations in their protein intake. We found changes in the crystalline and non-crystalline nanostructures to play specific roles in inducing the property variations we found. Across treatment MaSp expression patterns differed in each of the five species. We found that in most species MaSp expression and amino acid composition variations did not conform with our predictions based on a traditional MaSp expression model. In general, changes to the silk's alanine and proline compositions influenced the alignment of the proteins within the silk's amorphous region, which influenced silk extensibility and toughness. Variations in structural alignment in the crystalline and non-crystalline regions influenced ultimate strength independent of genetic expression. Our study provides the deepest insights thus far into the mechanisms of how MA silk properties vary from gene expression to nanostructure formations to fiber mechanics. Such knowledge is imperative for promoting the production of synthetic silk fibers.

On Regional Modeling to Support Air Quality Policies

EPA Science Inventory

We examine the use of the Community Multiscale Air Quality (CMAQ) model in simulating the changes in the extreme values of air quality that are of interest to the regulatory agencies. Year-to-year changes in ozone air quality are attributable to variations in the prevailing mete...

Multiscale patterns and drivers of arbuscular mycorrhizal fungal communities in the roots and root-associated soil of a wild perennial herb.

PubMed

Rasmussen, Pil U; Hugerth, Luisa W; Blanchet, F Guillaume; Andersson, Anders F; Lindahl, Björn D; Tack, Ayco J M

2018-03-24

Arbuscular mycorrhizal (AM) fungi form diverse communities and are known to influence above-ground community dynamics and biodiversity. However, the multiscale patterns and drivers of AM fungal composition and diversity are still poorly understood. We sequenced DNA markers from roots and root-associated soil from Plantago lanceolata plants collected across multiple spatial scales to allow comparison of AM fungal communities among neighbouring plants, plant subpopulations, nearby plant populations, and regions. We also measured soil nutrients, temperature, humidity, and community composition of neighbouring plants and nonAM root-associated fungi. AM fungal communities were already highly dissimilar among neighbouring plants (c. 30 cm apart), albeit with a high variation in the degree of similarity at this small spatial scale. AM fungal communities were increasingly, and more consistently, dissimilar at larger spatial scales. Spatial structure and environmental drivers explained a similar percentage of the variation, from 7% to 25%. A large fraction of the variation remained unexplained, which may be a result of unmeasured environmental variables, species interactions and stochastic processes. We conclude that AM fungal communities are highly variable among nearby plants. AM fungi may therefore play a major role in maintaining small-scale variation in community dynamics and biodiversity. © 2018 The Authors New Phytologist © 2018 New Phytologist Trust.

An Expanded Multi-scale Monte Carlo Simulation Method for Personalized Radiobiological Effect Estimation in Radiotherapy: a feasibility study

NASA Astrophysics Data System (ADS)

Zhang, Ying; Feng, Yuanming; Wang, Wei; Yang, Chengwen; Wang, Ping

2017-03-01

A novel and versatile “bottom-up” approach is developed to estimate the radiobiological effect of clinic radiotherapy. The model consists of multi-scale Monte Carlo simulations from organ to cell levels. At cellular level, accumulated damages are computed using a spectrum-based accumulation algorithm and predefined cellular damage database. The damage repair mechanism is modeled by an expanded reaction-rate two-lesion kinetic model, which were calibrated through replicating a radiobiological experiment. Multi-scale modeling is then performed on a lung cancer patient under conventional fractionated irradiation. The cell killing effects of two representative voxels (isocenter and peripheral voxel of the tumor) are computed and compared. At microscopic level, the nucleus dose and damage yields vary among all nucleuses within the voxels. Slightly larger percentage of cDSB yield is observed for the peripheral voxel (55.0%) compared to the isocenter one (52.5%). For isocenter voxel, survival fraction increase monotonically at reduced oxygen environment. Under an extreme anoxic condition (0.001%), survival fraction is calculated to be 80% and the hypoxia reduction factor reaches a maximum value of 2.24. In conclusion, with biological-related variations, the proposed multi-scale approach is more versatile than the existing approaches for evaluating personalized radiobiological effects in radiotherapy.

Presymplectic current and the inverse problem of the calculus of variations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khavkine, Igor, E-mail: i.khavkine@uu.nl

2013-11-15

The inverse problem of the calculus of variations asks whether a given system of partial differential equations (PDEs) admits a variational formulation. We show that the existence of a presymplectic form in the variational bicomplex, when horizontally closed on solutions, allows us to construct a variational formulation for a subsystem of the given PDE. No constraints on the differential order or number of dependent or independent variables are assumed. The proof follows a recent observation of Bridges, Hydon, and Lawson [Math. Proc. Cambridge Philos. Soc. 148(01), 159–178 (2010)] and generalizes an older result of Henneaux [Ann. Phys. 140(1), 45–64 (1982)]more » from ordinary differential equations (ODEs) to PDEs. Uniqueness of the variational formulation is also discussed.« less

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

DOE PAGES

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake; ...

2017-03-24

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

Modeling Solar Wind Flow with the Multi-Scale Fluid-Kinetic Simulation Suite

DOE PAGES

Pogorelov, N.V.; Borovikov, S. N.; Bedford, M. C.; ...

2013-04-01

Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) is a package of numerical codes capable of performing adaptive mesh refinement simulations of complex plasma flows in the presence of discontinuities and charge exchange between ions and neutral atoms. The flow of the ionized component is described with the ideal MHD equations, while the transport of atoms is governed either by the Boltzmann equation or multiple Euler gas dynamics equations. We have enhanced the code with additional physical treatments for the transport of turbulence and acceleration of pickup ions in the interplanetary space and at the termination shock. In this article, we present themore » results of our numerical simulation of the solar wind (SW) interaction with the local interstellar medium (LISM) in different time-dependent and stationary formulations. Numerical results are compared with the Ulysses, Voyager, and OMNI observations. Finally, the SW boundary conditions are derived from in-situ spacecraft measurements and remote observations.« less

Application of finite elements heterogeneous multi-scale method to eddy currents non destructive testing of carbon composites material

NASA Astrophysics Data System (ADS)

Khebbab, Mohamed; Feliachi, Mouloud; El Hadi Latreche, Mohamed

2018-03-01

In this present paper, a simulation of eddy current non-destructive testing (EC NDT) on unidirectional carbon fiber reinforced polymer is performed; for this magneto-dynamic formulation in term of magnetic vector potential is solved using finite element heterogeneous multi-scale method (FE HMM). FE HMM has as goal to compute the homogenized solution without calculating the homogenized tensor explicitly, the solution is based only on the physical characteristic known in micro domain. This feature is well adapted to EC NDT to evaluate defect in carbon composite material in microscopic scale, where the defect detection is performed by coil impedance measurement; the measurement value is intimately linked to material characteristic in microscopic level. Based on this, our model can handle different defects such as: cracks, inclusion, internal electrical conductivity changes, heterogeneities, etc. The simulation results were compared with the solution obtained with homogenized material using mixture law, a good agreement was found.

Robust multiscale field-only formulation of electromagnetic scattering

NASA Astrophysics Data System (ADS)

Sun, Qiang; Klaseboer, Evert; Chan, Derek Y. C.

2017-01-01

We present a boundary integral formulation of electromagnetic scattering by homogeneous bodies that are characterized by linear constitutive equations in the frequency domain. By working with the Cartesian components of the electric E and magnetic H fields and with the scalar functions (r .E ) and (r .H ) where r is a position vector, the problem can be cast as having to solve a set of scalar Helmholtz equations for the field components that are coupled by the usual electromagnetic boundary conditions at material boundaries. This facilitates a direct solution for the surface values of E and H rather than having to work with surface currents or surface charge densities as intermediate quantities in existing methods. Consequently, our formulation is free of the well-known numerical instability that occurs in the zero-frequency or long-wavelength limit in traditional surface integral solutions of Maxwell's equations and our numerical results converge uniformly to the static results in the long-wavelength limit. Furthermore, we use a formulation of the scalar Helmholtz equation that is expressed as classically convergent integrals and does not require the evaluation of principal value integrals or any knowledge of the solid angle. Therefore, standard quadrature and higher order surface elements can readily be used to improve numerical precision for the same number of degrees of freedom. In addition, near and far field values can be calculated with equal precision, and multiscale problems in which the scatterers possess characteristic length scales that are both large and small relative to the wavelength can be easily accommodated. From this we obtain results for the scattering and transmission of electromagnetic waves at dielectric boundaries that are valid for any ratio of the local surface curvature to the wave number. This is a generalization of the familiar Fresnel formula and Snell's law, valid at planar dielectric boundaries, for the scattering and transmission of electromagnetic waves at surfaces of arbitrary curvature. Implementation details are illustrated with scattering by multiple perfect electric conductors as well as dielectric bodies with complex geometries and composition.

Multiscale Particle-Based Modeling of Flowing Platelets in Blood Plasma Using Dissipative Particle Dynamics and Coarse Grained Molecular Dynamics

PubMed Central

Zhang, Peng; Gao, Chao; Zhang, Na; Slepian, Marvin J.; Deng, Yuefan; Bluestein, Danny

2014-01-01

We developed a multiscale particle-based model of platelets, to study the transport dynamics of shear stresses between the surrounding fluid and the platelet membrane. This model facilitates a more accurate prediction of the activation potential of platelets by viscous shear stresses - one of the major mechanisms leading to thrombus formation in cardiovascular diseases and in prosthetic cardiovascular devices. The interface of the model couples coarse-grained molecular dynamics (CGMD) with dissipative particle dynamics (DPD). The CGMD handles individual platelets while the DPD models the macroscopic transport of blood plasma in vessels. A hybrid force field is formulated for establishing a functional interface between the platelet membrane and the surrounding fluid, in which the microstructural changes of platelets may respond to the extracellular viscous shear stresses transferred to them. The interaction between the two systems preserves dynamic properties of the flowing platelets, such as the flipping motion. Using this multiscale particle-based approach, we have further studied the effects of the platelet elastic modulus by comparing the action of the flow-induced shear stresses on rigid and deformable platelet models. The results indicate that neglecting the platelet deformability may overestimate the stress on the platelet membrane, which in turn may lead to erroneous predictions of the platelet activation under viscous shear flow conditions. This particle-based fluid-structure interaction multiscale model offers for the first time a computationally feasible approach for simulating deformable platelets interacting with viscous blood flow, aimed at predicting flow induced platelet activation by using a highly resolved mapping of the stress distribution on the platelet membrane under dynamic flow conditions. PMID:25530818

A mathematical multiscale model of bone remodeling, accounting for pore space-specific mechanosensation.

PubMed

Pastrama, Maria-Ioana; Scheiner, Stefan; Pivonka, Peter; Hellmich, Christian

2018-02-01

While bone tissue is a hierarchically organized material, mathematical formulations of bone remodeling are often defined on the level of a millimeter-sized representative volume element (RVE), "smeared" over all types of bone microstructures seen at lower observation scales. Thus, there is no explicit consideration of the fact that the biological cells and biochemical factors driving bone remodeling are actually located in differently sized pore spaces: active osteoblasts and osteoclasts can be found in the vascular pores, whereas the lacunar pores host osteocytes - bone cells originating from former osteoblasts which were then "buried" in newly deposited extracellular bone matrix. We here propose a mathematical description which considers size and shape of the pore spaces where the biological and biochemical events take place. In particular, a previously published systems biology formulation, accounting for biochemical regulatory mechanisms such as the rank-rankl-opg pathway, is cast into a multiscale framework coupled to a poromicromechanical model. The latter gives access to the vascular and lacunar pore pressures arising from macroscopic loading. Extensive experimental data on the biological consequences of this loading strongly suggest that the aforementioned pore pressures, together with the loading frequency, are essential drivers of bone remodeling. The novel approach presented here allows for satisfactory simulation of the evolution of bone tissue under various loading conditions, and for different species; including scenarios such as mechanical dis- and overuse of murine and human bone, or in osteocyte-free bone. Copyright © 2017 Elsevier Inc. All rights reserved.

Multi-scale geospatial agroecosystem modeling: A case study on the influence of soil data resolution on carbon budget estimates

EPA Science Inventory

The development of effective measures to stabilize atmospheric 22 CO2 concentration and mitigate negative impacts of climate change requires accurate quantification of the spatial variation and magnitude of the terrestrial carbon (C) flux. However, the spatial pattern and strengt...

Multi-scale soil salinity mapping and monitoring with proximal and remote sensing

USDA-ARS?s Scientific Manuscript database

This talk is part of a technical short course on “Soil mapping and process modelling at diverse scales”. In the talk, guidelines, special considerations, protocols, and strengths and limitations are presented for characterizing spatial and temporal variation in soil salinity at several spatial scale...

On Regional Modeling to Support Air Quality Policies (book chapter)

EPA Science Inventory

We examine the use of the Community Multiscale Air Quality (CMAQ) model in simulating the changes in the extreme values of air quality that are of interest to the regulatory agencies. Year-to-year changes in ozone air quality are attributable to variations in the prevailing meteo...

Explanatory Power of Multi-scale Physical Descriptors in Modeling Benthic Indices Across Nested Ecoregions of the Pacific Northwest

NASA Astrophysics Data System (ADS)

Holburn, E. R.; Bledsoe, B. P.; Poff, N. L.; Cuhaciyan, C. O.

2005-05-01

Using over 300 R/EMAP sites in OR and WA, we examine the relative explanatory power of watershed, valley, and reach scale descriptors in modeling variation in benthic macroinvertebrate indices. Innovative metrics describing flow regime, geomorphic processes, and hydrologic-distance weighted watershed and valley characteristics are used in multiple regression and regression tree modeling to predict EPT richness, % EPT, EPT/C, and % Plecoptera. A nested design using seven ecoregions is employed to evaluate the influence of geographic scale and environmental heterogeneity on the explanatory power of individual and combined scales. Regression tree models are constructed to explain variability while identifying threshold responses and interactions. Cross-validated models demonstrate differences in the explanatory power associated with single-scale and multi-scale models as environmental heterogeneity is varied. Models explaining the greatest variability in biological indices result from multi-scale combinations of physical descriptors. Results also indicate that substantial variation in benthic macroinvertebrate response can be explained with process-based watershed and valley scale metrics derived exclusively from common geospatial data. This study outlines a general framework for identifying key processes driving macroinvertebrate assemblages across a range of scales and establishing the geographic extent at which various levels of physical description best explain biological variability. Such information can guide process-based stratification to avoid spurious comparison of dissimilar stream types in bioassessments and ensure that key environmental gradients are adequately represented in sampling designs.

Variational formulation for Black-Scholes equations in stochastic volatility models

NASA Astrophysics Data System (ADS)

Gyulov, Tihomir B.; Valkov, Radoslav L.

2012-11-01

In this note we prove existence and uniqueness of weak solutions to a boundary value problem arising from stochastic volatility models in financial mathematics. Our settings are variational in weighted Sobolev spaces. Nevertheless, as it will become apparent our variational formulation agrees well with the stochastic part of the problem.

Multiscale Analysis of Solar Image Data

NASA Astrophysics Data System (ADS)

Young, C. A.; Myers, D. C.

2001-12-01

It is often said that the blessing and curse of solar physics is that there is too much data. Solar missions such as Yohkoh, SOHO and TRACE have shown us the Sun with amazing clarity but have also cursed us with an increased amount of higher complexity data than previous missions. We have improved our view of the Sun yet we have not improved our analysis techniques. The standard techniques used for analysis of solar images generally consist of observing the evolution of features in a sequence of byte scaled images or a sequence of byte scaled difference images. The determination of features and structures in the images are done qualitatively by the observer. There is little quantitative and objective analysis done with these images. Many advances in image processing techniques have occured in the past decade. Many of these methods are possibly suited for solar image analysis. Multiscale/Multiresolution methods are perhaps the most promising. These methods have been used to formulate the human ability to view and comprehend phenomena on different scales. So these techniques could be used to quantitify the imaging processing done by the observers eyes and brains. In this work we present a preliminary analysis of multiscale techniques applied to solar image data. Specifically, we explore the use of the 2-d wavelet transform and related transforms with EIT, LASCO and TRACE images. This work was supported by NASA contract NAS5-00220.

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

PubMed

Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A; Scalmani, Giovanni; Mennucci, Benedetta

2018-03-13

Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic properties of complex chemical systems. Whereas such models typically include electrostatics and potentially polarization in so-called electrostatic and polarizable embedding approaches, respectively, nonelectrostatic dispersion and repulsion interactions are instead commonly described through classical potentials despite their quantum mechanical origin. Here we present an extension of the Tkatchenko-Scheffler semiempirical van der Waals (vdW TS ) scheme aimed at describing dispersion and repulsion interactions between quantum and classical regions within a QM/MM polarizable embedding framework. Starting from the vdW TS expression, we define a dispersion and a repulsion term, both of them density-dependent and consistently based on a Lennard-Jones-like potential. We explore transferable atom type-based parametrization strategies for the MM parameters, based on either vdW TS calculations performed on isolated fragments or on a direct estimation of the parameters from atomic polarizabilities taken from a polarizable force field. We investigate the performance of the implementation by computing self-consistent interaction energies for the S22 benchmark set, designed to represent typical noncovalent interactions in biological systems, in both equilibrium and out-of-equilibrium geometries. Overall, our results suggest that the present implementation is a promising strategy to include dispersion and repulsion in multiscale QM/MM models incorporating their explicit dependence on the electronic density.

Multiscale Multiphysics and Multidomain Models I: Basic Theory

PubMed Central

Wei, Guo-Wei

2013-01-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field. PMID:25382892

Multiscale Multiphysics and Multidomain Models I: Basic Theory.

PubMed

Wei, Guo-Wei

2013-12-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field.

Variational formulation of high performance finite elements: Parametrized variational principles

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Militello, Carmello

1991-01-01

High performance elements are simple finite elements constructed to deliver engineering accuracy with coarse arbitrary grids. This is part of a series on the variational basis of high-performance elements, with emphasis on those constructed with the free formulation (FF) and assumed natural strain (ANS) methods. Parametrized variational principles that provide a foundation for the FF and ANS methods, as well as for a combination of both are presented.

Systematic and reliable multiscale modelling of lithium batteries

NASA Astrophysics Data System (ADS)

Atalay, Selcuk; Schmuck, Markus

2017-11-01

Motivated by the increasing interest in lithium batteries as energy storage devices (e.g. cars/bycicles/public transport, social robot companions, mobile phones, and tablets), we investigate three basic cells: (i) a single intercalation host; (ii) a periodic arrangement of intercalation hosts; and (iii) a rigorously upscaled formulation of (ii) as initiated in. By systematically accounting for Li transport and interfacial reactions in (i)-(iii), we compute the associated chracteristic current-voltage curves and power densities. Finally, we discuss the influence of how the intercalation particles are arranged. Our findings are expected to improve the understanding of how microscopic properties affect the battery behaviour observed on the macroscale and at the same time, the upscaled formulation (iii) serves as an efficient computational tool. This work has been supported by EPSRC, UK, through the Grant No. EP/P011713/1.

Impact of Material and Architecture Model Parameters on the Failure of Woven Ceramic Matrix Composites (CMCs) via the Multiscale Generalized Method of Cells

NASA Technical Reports Server (NTRS)

Liu, Kuang C.; Arnold, Steven M.

2011-01-01

It is well known that failure of a material is a locally driven event. In the case of ceramic matrix composites (CMCs), significant variations in the microstructure of the composite exist and their significance on both deformation and life response need to be assessed. Examples of these variations include changes in the fiber tow shape, tow shifting/nesting and voids within and between tows. In the present work, the effects of many of these architectural parameters and material scatter of woven ceramic composite properties at the macroscale (woven RUC) will be studied to assess their sensitivity. The recently developed Multiscale Generalized Method of Cells methodology is used to determine the overall deformation response, proportional elastic limit (first matrix cracking), and failure under tensile loading conditions. The macroscale responses investigated illustrate the effect of architectural and material parameters on a single RUC representing a five harness satin weave fabric. Results shows that the most critical architectural parameter is weave void shape and content with other parameters being less in severity. Variation of the matrix material properties was also studied to illustrate the influence of the material variability on the overall features of the composite stress-strain response.

Isogeometric Divergence-conforming B-splines for the Steady Navier-Stokes Equations

DTIC Science & Technology

2012-04-01

discretizations produce pointwise divergence-free velocity elds and hence exactly satisfy mass conservation. Consequently, discrete variational formulations...cretizations produce pointwise divergence-free velocity fields and hence exactly satisfy mass conservation. Consequently, discrete variational ... variational formulation. Using a combination of an advective for- mulation, SUPG, PSPG, and grad-div stabilization, provably convergent numerical methods

Variational principles for dissipative (sub)systems, with applications to the theory of linear dispersion and geometrical optics

DOE PAGES

Dodin, I. Y.; Zhmoginov, A. I.; Ruiz, D. E.

2017-02-24

Applications of variational methods are typically restricted to conservative systems. Some extensions to dissipative systems have been reported too but require ad hoc techniques such as the artificial doubling of the dynamical variables. We propose a different approach. Here, we show that for a broad class of dissipative systems of practical interest, variational principles can be formulated using constant Lagrange multipliers and Lagrangians nonlocal in time, which allow treating reversible and irreversible dynamics on the same footing. A general variational theory of linear dispersion is formulated as an example. Particularly, we present a variational formulation for linear geometrical optics inmore » a general dissipative medium, which is allowed to be nonstationary, inhomogeneous, anisotropic, and exhibit both temporal and spatial dispersion simultaneously.« less

Dual and mixed nonsymmetric stress-based variational formulations for coupled thermoelastodynamics with second sound effect

NASA Astrophysics Data System (ADS)

Tóth, Balázs

2018-03-01

Some new dual and mixed variational formulations based on a priori nonsymmetric stresses will be developed for linearly coupled irreversible thermoelastodynamic problems associated with second sound effect according to the Lord-Shulman theory. Having introduced the entropy flux vector instead of the entropy field and defining the dissipation and the relaxation potential as the function of the entropy flux, a seven-field dual and mixed variational formulation will be derived from the complementary Biot-Hamilton-type variational principle, using the Lagrange multiplier method. The momentum-, the displacement- and the infinitesimal rotation vector, and the a priori nonsymmetric stress tensor, the temperature change, the entropy field and its flux vector are considered as the independent field variables of this formulation. In order to handle appropriately the six different groups of temporal prescriptions in the relaxed- and/or the strong form, two variational integrals will be incorporated into the seven-field functional. Then, eliminating the entropy from this formulation through the strong fulfillment of the constitutive relation for the temperature change with the use of the Legendre transformation between the enthalpy and Gibbs potential, a six-field dual and mixed action functional is obtained. As a further development, the elimination of the momentum- and the velocity vector from the six-field principle through the a priori satisfaction of the kinematic equation and the constitutive relation for the momentum vector leads to a five-field variational formulation. These principles are suitable for the transient analyses of the structures exposed to a thermal shock of short temporal domain or a large heat flux.

The Diurnal Cycle of Clouds and Precipitation at the ARM SGP Site: An Atmospheric State-Based Analysis and Error Decomposition of a Multiscale Modeling Framework Simulation

NASA Astrophysics Data System (ADS)

Zhao, Wei; Marchand, Roger; Fu, Qiang

2017-12-01

Long-term reflectivity data collected by a millimeter cloud radar at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site are used to examine the diurnal cycle of clouds and precipitation and are compared with the diurnal cycle simulated by a Multiscale Modeling Framework (MMF) climate model. The study uses a set of atmospheric states that were created specifically for the SGP and for the purpose of investigating under what synoptic conditions models compare well with observations on a statistical basis (rather than using case studies or seasonal or longer time scale averaging). Differences in the annual mean diurnal cycle between observations and the MMF are decomposed into differences due to the relative frequency of states, the daily mean vertical profile of hydrometeor occurrence, and the (normalized) diurnal variation of hydrometeors in each state. Here the hydrometeors are classified as cloud or precipitation based solely on the reflectivity observed by a millimeter radar or generated by a radar simulator. The results show that the MMF does not capture the diurnal variation of low clouds well in any of the states but does a reasonable job capturing the diurnal variations of high clouds and precipitation in some states. In particular, the diurnal variations in states that occur during summer are reasonably captured by the MMF, while the diurnal variations in states that occur during the transition seasons (spring and fall) are not well captured. Overall, the errors in the annual composite are due primarily to errors in the daily mean of hydrometeor occurrence (rather than diurnal variations), but errors in the state frequency (that is, the distribution of weather states in the model) also play a significant role.

Multiscale mechanisms of nutritionally induced property variation in spider silks

PubMed Central

Nobbs, Madeleine; Martens, Penny J.; Tso, I-Min; Chuang, Wei-Tsung; Chang, Chung-Kai; Sheu, Hwo-Shuenn

2018-01-01

Variability in spider major ampullate (MA) silk properties at different scales has proven difficult to determine and remains an obstacle to the development of synthetic fibers mimicking MA silk performance. A multitude of techniques may be used to measure multiscale aspects of silk properties. Here we fed five species of Araneoid spider solutions that either contained protein or were protein deprived and performed silk tensile tests, small and wide-angle X-ray scattering (SAXS/WAXS), amino acid composition analyses, and silk gene expression analyses, to resolve persistent questions about how nutrient deprivation induces variations in MA silk mechanical properties across scales. Our analyses found that the properties of each spider’s silk varied differently in response to variations in their protein intake. We found changes in the crystalline and non-crystalline nanostructures to play specific roles in inducing the property variations we found. Across treatment MaSp expression patterns differed in each of the five species. We found that in most species MaSp expression and amino acid composition variations did not conform with our predictions based on a traditional MaSp expression model. In general, changes to the silk’s alanine and proline compositions influenced the alignment of the proteins within the silk’s amorphous region, which influenced silk extensibility and toughness. Variations in structural alignment in the crystalline and non-crystalline regions influenced ultimate strength independent of genetic expression. Our study provides the deepest insights thus far into the mechanisms of how MA silk properties vary from gene expression to nanostructure formations to fiber mechanics. Such knowledge is imperative for promoting the production of synthetic silk fibers. PMID:29390013

A space-time multiscale modelling of Earth's gravity field variations

NASA Astrophysics Data System (ADS)

Wang, Shuo; Panet, Isabelle; Ramillien, Guillaume; Guilloux, Frédéric

2017-04-01

The mass distribution within the Earth varies over a wide range of spatial and temporal scales, generating variations in the Earth's gravity field in space and time. These variations are monitored by satellites as the GRACE mission, with a 400 km spatial resolution and 10 days to 1 month temporal resolution. They are expressed in the form of gravity field models, often with a fixed spatial or temporal resolution. The analysis of these models allows us to study the mass transfers within the Earth system. Here, we have developed space-time multi-scale models of the gravity field, in order to optimize the estimation of gravity signals resulting from local processes at different spatial and temporal scales, and to adapt the time resolution of the model to its spatial resolution according to the satellites sampling. For that, we first build a 4D wavelet family combining spatial Poisson wavelets with temporal Haar wavelets. Then, we set-up a regularized inversion of inter-satellites gravity potential differences in a bayesian framework, to estimate the model parameters. To build the prior, we develop a spectral analysis, localized in time and space, of geophysical models of mass transport and associated gravity variations. Finally, we test our approach to the reconstruction of space-time variations of the gravity field due to hydrology. We first consider a global distribution of observations along the orbit, from a simplified synthetic hydrology signal comprising only annual variations at large spatial scales. Then, we consider a regional distribution of observations in Africa, and a larger number of spatial and temporal scales. We test the influence of an imperfect prior and discuss our results.

Dynamic Evaluation of Two Decades of WRF-CMAQ Ozone Simulations over the Contiguous United States (2017 CMAS)

EPA Science Inventory

Weather Research and Forecasting (WRF)–Community Multi-scale Air Quality (CMAQ) model over the contiguous United States is conducted to assess how well the changes in observed ozone air quality are simulated by the model. The changes induced by variations in meteorology and...

Rotation and scale invariant shape context registration for remote sensing images with background variations

NASA Astrophysics Data System (ADS)

Jiang, Jie; Zhang, Shumei; Cao, Shixiang

2015-01-01

Multitemporal remote sensing images generally suffer from background variations, which significantly disrupt traditional region feature and descriptor abstracts, especially between pre and postdisasters, making registration by local features unreliable. Because shapes hold relatively stable information, a rotation and scale invariant shape context based on multiscale edge features is proposed. A multiscale morphological operator is adapted to detect edges of shapes, and an equivalent difference of Gaussian scale space is built to detect local scale invariant feature points along the detected edges. Then, a rotation invariant shape context with improved distance discrimination serves as a feature descriptor. For a distance shape context, a self-adaptive threshold (SAT) distance division coordinate system is proposed, which improves the discriminative property of the feature descriptor in mid-long pixel distances from the central point while maintaining it in shorter ones. To achieve rotation invariance, the magnitude of Fourier transform in one-dimension is applied to calculate angle shape context. Finally, the residual error is evaluated after obtaining thin-plate spline transformation between reference and sensed images. Experimental results demonstrate the robustness, efficiency, and accuracy of this automatic algorithm.

Structure-Preserving Variational Multiscale Modeling of Turbulent Incompressible Flow with Subgrid Vortices

NASA Astrophysics Data System (ADS)

Evans, John; Coley, Christopher; Aronson, Ryan; Nelson, Corey

2017-11-01

In this talk, a large eddy simulation methodology for turbulent incompressible flow will be presented which combines the best features of divergence-conforming discretizations and the residual-based variational multiscale approach to large eddy simulation. In this method, the resolved motion is represented using a divergence-conforming discretization, that is, a discretization that preserves the incompressibility constraint in a pointwise manner, and the unresolved fluid motion is explicitly modeled by subgrid vortices that lie within individual grid cells. The evolution of the subgrid vortices is governed by dynamical model equations driven by the residual of the resolved motion. Consequently, the subgrid vortices appropriately vanish for laminar flow and fully resolved turbulent flow. As the resolved velocity field and subgrid vortices are both divergence-free, the methodology conserves mass in a pointwise sense and admits discrete balance laws for energy, enstrophy, and helicity. Numerical results demonstrate the methodology yields improved results versus state-of-the-art eddy viscosity models in the context of transitional, wall-bounded, and rotational flow when a divergence-conforming B-spline discretization is utilized to represent the resolved motion.

Hi-fidelity multi-scale local processing for visually optimized far-infrared Herschel images

NASA Astrophysics Data System (ADS)

Li Causi, G.; Schisano, E.; Liu, S. J.; Molinari, S.; Di Giorgio, A.

2016-07-01

In the context of the "Hi-Gal" multi-band full-plane mapping program for the Galactic Plane, as imaged by the Herschel far-infrared satellite, we have developed a semi-automatic tool which produces high definition, high quality color maps optimized for visual perception of extended features, like bubbles and filaments, against the high background variations. We project the map tiles of three selected bands onto a 3-channel panorama, which spans the central 130 degrees of galactic longitude times 2.8 degrees of galactic latitude, at the pixel scale of 3.2", in cartesian galactic coordinates. Then we process this image piecewise, applying a custom multi-scale local stretching algorithm, enforced by a local multi-scale color balance. Finally, we apply an edge-preserving contrast enhancement to perform an artifact-free details sharpening. Thanks to this tool, we have thus produced a stunning giga-pixel color image of the far-infrared Galactic Plane that we made publicly available with the recent release of the Hi-Gal mosaics and compact source catalog.

Flexible feature-space-construction architecture and its VLSI implementation for multi-scale object detection

NASA Astrophysics Data System (ADS)

Luo, Aiwen; An, Fengwei; Zhang, Xiangyu; Chen, Lei; Huang, Zunkai; Jürgen Mattausch, Hans

2018-04-01

Feature extraction techniques are a cornerstone of object detection in computer-vision-based applications. The detection performance of vison-based detection systems is often degraded by, e.g., changes in the illumination intensity of the light source, foreground-background contrast variations or automatic gain control from the camera. In order to avoid such degradation effects, we present a block-based L1-norm-circuit architecture which is configurable for different image-cell sizes, cell-based feature descriptors and image resolutions according to customization parameters from the circuit input. The incorporated flexibility in both the image resolution and the cell size for multi-scale image pyramids leads to lower computational complexity and power consumption. Additionally, an object-detection prototype for performance evaluation in 65 nm CMOS implements the proposed L1-norm circuit together with a histogram of oriented gradients (HOG) descriptor and a support vector machine (SVM) classifier. The proposed parallel architecture with high hardware efficiency enables real-time processing, high detection robustness, small chip-core area as well as low power consumption for multi-scale object detection.

Discontinuous Galerkin methods for modeling Hurricane storm surge

NASA Astrophysics Data System (ADS)

Dawson, Clint; Kubatko, Ethan J.; Westerink, Joannes J.; Trahan, Corey; Mirabito, Christopher; Michoski, Craig; Panda, Nishant

2011-09-01

Storm surge due to hurricanes and tropical storms can result in significant loss of life, property damage, and long-term damage to coastal ecosystems and landscapes. Computer modeling of storm surge can be used for two primary purposes: forecasting of surge as storms approach land for emergency planning and evacuation of coastal populations, and hindcasting of storms for determining risk, development of mitigation strategies, coastal restoration and sustainability. Storm surge is modeled using the shallow water equations, coupled with wind forcing and in some events, models of wave energy. In this paper, we will describe a depth-averaged (2D) model of circulation in spherical coordinates. Tides, riverine forcing, atmospheric pressure, bottom friction, the Coriolis effect and wind stress are all important for characterizing the inundation due to surge. The problem is inherently multi-scale, both in space and time. To model these problems accurately requires significant investments in acquiring high-fidelity input (bathymetry, bottom friction characteristics, land cover data, river flow rates, levees, raised roads and railways, etc.), accurate discretization of the computational domain using unstructured finite element meshes, and numerical methods capable of capturing highly advective flows, wetting and drying, and multi-scale features of the solution. The discontinuous Galerkin (DG) method appears to allow for many of the features necessary to accurately capture storm surge physics. The DG method was developed for modeling shocks and advection-dominated flows on unstructured finite element meshes. It easily allows for adaptivity in both mesh ( h) and polynomial order ( p) for capturing multi-scale spatial events. Mass conservative wetting and drying algorithms can be formulated within the DG method. In this paper, we will describe the application of the DG method to hurricane storm surge. We discuss the general formulation, and new features which have been added to the model to better capture surge in complex coastal environments. These features include modifications to the method to handle spherical coordinates and maintain still flows, improvements in the stability post-processing (i.e. slope-limiting), and the modeling of internal barriers for capturing overtopping of levees and other structures. We will focus on applications of the model to recent events in the Gulf of Mexico, including Hurricane Ike.

Variational Principles for Buckling of Microtubules Modeled as Nonlocal Orthotropic Shells

PubMed Central

2014-01-01

A variational principle for microtubules subject to a buckling load is derived by semi-inverse method. The microtubule is modeled as an orthotropic shell with the constitutive equations based on nonlocal elastic theory and the effect of filament network taken into account as an elastic surrounding. Microtubules can carry large compressive forces by virtue of the mechanical coupling between the microtubules and the surrounding elastic filament network. The equations governing the buckling of the microtubule are given by a system of three partial differential equations. The problem studied in the present work involves the derivation of the variational formulation for microtubule buckling. The Rayleigh quotient for the buckling load as well as the natural and geometric boundary conditions of the problem is obtained from this variational formulation. It is observed that the boundary conditions are coupled as a result of nonlocal formulation. It is noted that the analytic solution of the buckling problem for microtubules is usually a difficult task. The variational formulation of the problem provides the basis for a number of approximate and numerical methods of solutions and furthermore variational principles can provide physical insight into the problem. PMID:25214886

Finite Dimensional Approximations for Continuum Multiscale Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berlyand, Leonid

2017-01-24

The completed research project concerns the development of novel computational techniques for modeling nonlinear multiscale physical and biological phenomena. Specifically, it addresses the theoretical development and applications of the homogenization theory (coarse graining) approach to calculation of the effective properties of highly heterogenous biological and bio-inspired materials with many spatial scales and nonlinear behavior. This theory studies properties of strongly heterogeneous media in problems arising in materials science, geoscience, biology, etc. Modeling of such media raises fundamental mathematical questions, primarily in partial differential equations (PDEs) and calculus of variations, the subject of the PI’s research. The focus of completed researchmore » was on mathematical models of biological and bio-inspired materials with the common theme of multiscale analysis and coarse grain computational techniques. Biological and bio-inspired materials offer the unique ability to create environmentally clean functional materials used for energy conversion and storage. These materials are intrinsically complex, with hierarchical organization occurring on many nested length and time scales. The potential to rationally design and tailor the properties of these materials for broad energy applications has been hampered by the lack of computational techniques, which are able to bridge from the molecular to the macroscopic scale. The project addressed the challenge of computational treatments of such complex materials by the development of a synergistic approach that combines innovative multiscale modeling/analysis techniques with high performance computing.« less

A Multigrid NLS-4DVar Data Assimilation Scheme with Advanced Research WRF (ARW)

NASA Astrophysics Data System (ADS)

Zhang, H.; Tian, X.

2017-12-01

The motions of the atmosphere have multiscale properties in space and/or time, and the background error covariance matrix (Β) should thus contain error information at different correlation scales. To obtain an optimal analysis, the multigrid three-dimensional variational data assimilation scheme is used widely when sequentially correcting errors from large to small scales. However, introduction of the multigrid technique into four-dimensional variational data assimilation is not easy, due to its strong dependence on the adjoint model, which has extremely high computational costs in data coding, maintenance, and updating. In this study, the multigrid technique was introduced into the nonlinear least-squares four-dimensional variational assimilation (NLS-4DVar) method, which is an advanced four-dimensional ensemble-variational method that can be applied without invoking the adjoint models. The multigrid NLS-4DVar (MG-NLS-4DVar) scheme uses the number of grid points to control the scale, with doubling of this number when moving from a coarse to a finer grid. Furthermore, the MG-NLS-4DVar scheme not only retains the advantages of NLS-4DVar, but also sufficiently corrects multiscale errors to achieve a highly accurate analysis. The effectiveness and efficiency of the proposed MG-NLS-4DVar scheme were evaluated by several groups of observing system simulation experiments using the Advanced Research Weather Research and Forecasting Model. MG-NLS-4DVar outperformed NLS-4DVar, with a lower computational cost.

The Effect of Fiber Strength Stochastics and Local Fiber Volume Fraction on Multiscale Progressive Failure of Composites

NASA Technical Reports Server (NTRS)

Ricks, Trenton M.; Lacy, Jr., Thomas E.; Bednarcyk, Brett A.; Arnold, Steven M.

2013-01-01

Continuous fiber unidirectional polymer matrix composites (PMCs) can exhibit significant local variations in fiber volume fraction as a result of processing conditions that can lead to further local differences in material properties and failure behavior. In this work, the coupled effects of both local variations in fiber volume fraction and the empirically-based statistical distribution of fiber strengths on the predicted longitudinal modulus and local tensile strength of a unidirectional AS4 carbon fiber/ Hercules 3502 epoxy composite were investigated using the special purpose NASA Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC); local effective composite properties were obtained by homogenizing the material behavior over repeating units cells (RUCs). The predicted effective longitudinal modulus was relatively insensitive to small (8%) variations in local fiber volume fraction. The composite tensile strength, however, was highly dependent on the local distribution in fiber strengths. The RUC-averaged constitutive response can be used to characterize lower length scale material behavior within a multiscale analysis framework that couples the NASA code FEAMAC and the ABAQUS finite element solver. Such an approach can be effectively used to analyze the progressive failure of PMC structures whose failure initiates at the RUC level. Consideration of the effect of local variations in constituent properties and morphologies on progressive failure of PMCs is a central aspect of the application of Integrated Computational Materials Engineering (ICME) principles for composite materials.

Multiscale control of flooding and riparian-forest composition in Lower Michigan, USA.

PubMed

Baker, Matthew E; Wiley, Michael J

2009-01-01

Despite general agreement that river-valley hydrology shapes riparian ecosystems, relevant processes are difficult to distinguish and often inadequately specified in riparian studies. We hypothesize that physical constraints imposed by broad-scale watershed characteristics and river valleys modify local site conditions in a predictable and probabilistic fashion. To test this hypothesis, we employ a series of structural equations that decompose occurrence of riparian ecotypes into regional temperature, catchment storm response, valley hydraulics, and local site wetness via a priori specification of factor structure and ask (1) Is there evidence for multiscale hydrologic control of riparian diversity across Lower Michigan? (2) Do representations of key constraints on flood dynamics distinguish regional patterns of riparian vegetation? (3) How important are these effects? Cross-correlation among geospatial predictors initially obscured much of the variation revealed through analysis of semipartial variance. Causal relationships implied by our model fit with observed variation in riparian conditions (chi-square P = 0.43) and accounted for between 84% and 99% of the occurrence probability of five riparian ecotypes at 94 locations. Results suggest strong variation in the effects of regional climate, and both the relative importance and spatial scale of hydrologic factors influencing riparian vegetation through explicit quantification of relative flood frequency, duration, intensity, and relative overall inundation. Although climate and hydrology are not the only determinants of riparian conditions, interactions of hydrologic sourcing and flood dynamics described by our spatial models drive a significant portion of the variation in riparian ecosystem character throughout Lower Michigan, USA.

SU-F-I-10: Spatially Local Statistics for Adaptive Image Filtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iliopoulos, AS; Sun, X; Floros, D

Purpose: To facilitate adaptive image filtering operations, addressing spatial variations in both noise and signal. Such issues are prevalent in cone-beam projections, where physical effects such as X-ray scattering result in spatially variant noise, violating common assumptions of homogeneous noise and challenging conventional filtering approaches to signal extraction and noise suppression. Methods: We present a computational mechanism for probing into and quantifying the spatial variance of noise throughout an image. The mechanism builds a pyramid of local statistics at multiple spatial scales; local statistical information at each scale includes (weighted) mean, median, standard deviation, median absolute deviation, as well asmore » histogram or dynamic range after local mean/median shifting. Based on inter-scale differences of local statistics, the spatial scope of distinguishable noise variation is detected in a semi- or un-supervised manner. Additionally, we propose and demonstrate the incorporation of such information in globally parametrized (i.e., non-adaptive) filters, effectively transforming the latter into spatially adaptive filters. The multi-scale mechanism is materialized by efficient algorithms and implemented in parallel CPU/GPU architectures. Results: We demonstrate the impact of local statistics for adaptive image processing and analysis using cone-beam projections of a Catphan phantom, fitted within an annulus to increase X-ray scattering. The effective spatial scope of local statistics calculations is shown to vary throughout the image domain, necessitating multi-scale noise and signal structure analysis. Filtering results with and without spatial filter adaptation are compared visually, illustrating improvements in imaging signal extraction and noise suppression, and in preserving information in low-contrast regions. Conclusion: Local image statistics can be incorporated in filtering operations to equip them with spatial adaptivity to spatial signal/noise variations. An efficient multi-scale computational mechanism is developed to curtail processing latency. Spatially adaptive filtering may impact subsequent processing tasks such as reconstruction and numerical gradient computations for deformable registration. NIH Grant No. R01-184173.« less

A solution to the biodiversity paradox by logical deterministic cellular automata.

PubMed

Kalmykov, Lev V; Kalmykov, Vyacheslav L

2015-06-01

The paradox of biological diversity is the key problem of theoretical ecology. The paradox consists in the contradiction between the competitive exclusion principle and the observed biodiversity. The principle is important as the basis for ecological theory. On a relatively simple model we show a mechanism of indefinite coexistence of complete competitors which violates the known formulations of the competitive exclusion principle. This mechanism is based on timely recovery of limiting resources and their spatio-temporal allocation between competitors. Because of limitations of the black-box modeling there was a problem to formulate the exclusion principle correctly. Our white-box multiscale model of two-species competition is based on logical deterministic individual-based cellular automata. This approach provides an automatic deductive inference on the basis of a system of axioms, and gives a direct insight into mechanisms of the studied system. It is one of the most promising methods of artificial intelligence. We reformulate and generalize the competitive exclusion principle and explain why this formulation provides a solution of the biodiversity paradox. In addition, we propose a principle of competitive coexistence.

On the continuity of mean total normal stress in geometrical multiscale cardiovascular problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanco, Pablo J., E-mail: pjblanco@lncc.br; INCT-MACC, Instituto Nacional de Ciência e Tecnologia em Medicina Assistida por Computação Científica, Petrópolis; Deparis, Simone, E-mail: simone.deparis@epfl.ch

2013-10-15

In this work an iterative strategy to implicitly couple dimensionally-heterogeneous blood flow models accounting for the continuity of mean total normal stress at interface boundaries is developed. Conservation of mean total normal stress in the coupling of heterogeneous models is mandatory to satisfy energetic consistency between them. Nevertheless, existing methodologies are based on modifications of the Navier–Stokes variational formulation, which are undesired when dealing with fluid–structure interaction or black box codes. The proposed methodology makes possible to couple one-dimensional and three-dimensional fluid–structure interaction models, enforcing the continuity of mean total normal stress while just imposing flow rate data or evenmore » the classical Neumann boundary data to the models. This is accomplished by modifying an existing iterative algorithm, which is also able to account for the continuity of the vessel area, when required. Comparisons are performed to assess differences in the convergence properties of the algorithms when considering the continuity of mean normal stress and the continuity of mean total normal stress for a wide range of flow regimes. Finally, examples in the physiological regime are shown to evaluate the importance, or not, of considering the continuity of mean total normal stress in hemodynamics simulations.« less

A coupled mode formulation by reciprocity and a variational principle

NASA Technical Reports Server (NTRS)

Chuang, Shun-Lien

1987-01-01

A coupled mode formulation for parallel dielectric waveguides is presented via two methods: a reciprocity theorem and a variational principle. In the first method, a generalized reciprocity relation for two sets of field solutions satisfying Maxwell's equations and the boundary conditions in two different media, respectively, is derived. Based on the generalized reciprocity theorem, the coupled mode equations can then be formulated. The second method using a variational principle is also presented for a general waveguide system which can be lossy. The results of the variational principle can also be shown to be identical to those from the reciprocity theorem. The exact relations governing the 'conventional' and the new coupling coefficients are derived. It is shown analytically that the present formulation satisfies the reciprocity theorem and power conservation exactly, while the conventional theory violates the power conservation and reciprocity theorem by as much as 55 percent and the Hardy-Streifer (1985, 1986) theory by 0.033 percent, for example.

Equilibrium shapes of a heterogeneous bubble in an electric field: a variational formulation and numerical verifications

NASA Astrophysics Data System (ADS)

Wang, Hanxiong; Liu, Liping; Liu, Dong

2017-03-01

The equilibrium shape of a bubble/droplet in an electric field is important for electrowetting over dielectrics (EWOD), electrohydrodynamic (EHD) enhancement for heat transfer and electro-deformation of a single biological cell among others. In this work, we develop a general variational formulation in account of electro-mechanical couplings. In the context of EHD, we identify the free energy functional and the associated energy minimization problem that determines the equilibrium shape of a bubble in an electric field. Based on this variational formulation, we implement a fixed mesh level-set gradient method for computing the equilibrium shapes. This numerical scheme is efficient and validated by comparing with analytical solutions at the absence of electric field and experimental results at the presence of electric field. We also present simulation results for zero gravity which will be useful for space applications. The variational formulation and numerical scheme are anticipated to have broad applications in areas of EWOD, EHD and electro-deformation in biomechanics.

Torsional vibration of a cracked rod by variational formulation and numerical analysis

NASA Astrophysics Data System (ADS)

Chondros, T. G.; Labeas, G. N.

2007-04-01

The torsional vibration of a circumferentially cracked cylindrical shaft is studied through an "exact" analytical solution and a numerical finite element (FE) analysis. The Hu-Washizu-Barr variational formulation is used to develop the differential equation and the boundary conditions of the cracked rod. The equations of motion for a uniform cracked rod in torsional vibration are derived and solved, and the Rayleigh quotient is used to further approximate the natural frequencies of the cracked rod. Results for the problem of the torsional vibration of a cylindrical shaft with a peripheral crack are provided through an analytical solution based on variational formulation to derive the equation of motion and a numerical analysis utilizing a parametric three-dimensional (3D) solid FE model of the cracked rod. The crack is modelled as a continuous flexibility based on fracture mechanics principles. The variational formulation results are compared with the FE alternative. The sensitivity of the FE discretization with respect to the analytical results is assessed.

Fast Particle Methods for Multiscale Phenomena Simulations

NASA Technical Reports Server (NTRS)

Koumoutsakos, P.; Wray, A.; Shariff, K.; Pohorille, Andrew

2000-01-01

We are developing particle methods oriented at improving computational modeling capabilities of multiscale physical phenomena in : (i) high Reynolds number unsteady vortical flows, (ii) particle laden and interfacial flows, (iii)molecular dynamics studies of nanoscale droplets and studies of the structure, functions, and evolution of the earliest living cell. The unifying computational approach involves particle methods implemented in parallel computer architectures. The inherent adaptivity, robustness and efficiency of particle methods makes them a multidisciplinary computational tool capable of bridging the gap of micro-scale and continuum flow simulations. Using efficient tree data structures, multipole expansion algorithms, and improved particle-grid interpolation, particle methods allow for simulations using millions of computational elements, making possible the resolution of a wide range of length and time scales of these important physical phenomena.The current challenges in these simulations are in : [i] the proper formulation of particle methods in the molecular and continuous level for the discretization of the governing equations [ii] the resolution of the wide range of time and length scales governing the phenomena under investigation. [iii] the minimization of numerical artifacts that may interfere with the physics of the systems under consideration. [iv] the parallelization of processes such as tree traversal and grid-particle interpolations We are conducting simulations using vortex methods, molecular dynamics and smooth particle hydrodynamics, exploiting their unifying concepts such as : the solution of the N-body problem in parallel computers, highly accurate particle-particle and grid-particle interpolations, parallel FFT's and the formulation of processes such as diffusion in the context of particle methods. This approach enables us to transcend among seemingly unrelated areas of research.

A non-affine micro-macro approach to strain-crystallizing rubber-like materials

NASA Astrophysics Data System (ADS)

Rastak, Reza; Linder, Christian

2018-02-01

Crystallization can occur in rubber materials at large strains due to a phenomenon called strain-induced crystallization. We propose a multi-scale polymer network model to capture this process in rubber-like materials. At the microscopic scale, we present a chain formulation by studying the thermodynamic behavior of a polymer chain and its crystallization mechanism inside a stretching polymer network. The chain model accounts for the thermodynamics of crystallization and presents a rate-dependent evolution law for crystallization based on the gradient of the free energy with respect to the crystallinity variables to ensures the dissipation is always non-negative. The multiscale framework allows the anisotropic crystallization of rubber which has been observed experimentally. Two different approaches for formulating the orientational distribution of crystallinity are studied. In the first approach, the algorithm tracks the crystallization at a finite number of orientations. In contrast, the continuous distribution describes the crystallization for all polymer chain orientations and describes its evolution with only a few distribution parameters. To connect the deformation of the micro with that of the macro scale, our model combines the recently developed maximal advance path constraint with the principal of minimum average free energy, resulting in a non-affine deformation model for polymer chains. Various aspects of the proposed model are validated by existing experimental results, including the stress response, crystallinity evolution during loading and unloading, crystallinity distribution, and the rotation of the principal crystallization direction. As a case study, we simulate the formation of crystalline regions around a pre-existing notch in a 3D rubber block and we compare the results with experimental data.

Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments

NASA Astrophysics Data System (ADS)

Tourret, D.; Karma, A.; Clarke, A. J.; Gibbs, P. J.; Imhoff, S. D.

2015-06-01

We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulations and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations.

Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments

DOE PAGES

Tourret, D.; Karma, A.; Clarke, A. J.; ...

2015-06-11

We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulationsmore » and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations.« less

A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

DOE PAGES

Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; ...

2015-06-01

Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, ormore » system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application-specific and sometimes ad-hoc approaches for model coupling. We are developing a generalized approach to hierarchical model coupling designed for high-performance computational systems, based on the Swift computing workflow framework. In this presentation we will describe the generalized approach and provide two use cases: 1) simulation of a mixing-controlled biogeochemical reaction coupling pore- and continuum-scale models, and 2) simulation of biogeochemical impacts of groundwater – river water interactions coupling fine- and coarse-grid model representations. This generalized framework can be customized for use with any pair of linked models (microscale and macroscale) with minimal intrusiveness to the at-scale simulators. It combines a set of python scripts with the Swift workflow environment to execute a complex multiscale simulation utilizing an approach similar to the well-known Heterogeneous Multiscale Method. User customization is facilitated through user-provided input and output file templates and processing function scripts, and execution within a high-performance computing environment is handled by Swift, such that minimal to no user modification of at-scale codes is required.« less

Multi-scale fluctuation analysis of precipitation in Beijing by Extreme-point Symmetric Mode Decomposition

NASA Astrophysics Data System (ADS)

Li, Jiqing; Duan, Zhipeng; Huang, Jing

2018-06-01

With the aggravation of the global climate change, the shortage of water resources in China is becoming more and more serious. Using reasonable methods to study changes in precipitation is very important for planning and management of water resources. Based on the time series of precipitation in Beijing from 1951 to 2015, the multi-scale features of precipitation are analyzed by the Extreme-point Symmetric Mode Decomposition (ESMD) method to forecast the precipitation shift. The results show that the precipitation series have periodic changes of 2.6, 4.3, 14 and 21.7 years, and the variance contribution rate of each modal component shows that the inter-annual variation dominates the precipitation in Beijing. It is predicted that precipitation in Beijing will continue to decrease in the near future.

Plant trait detection with multi-scale spectrometry

NASA Astrophysics Data System (ADS)

Gamon, J. A.; Wang, R.

2017-12-01

Proximal and remote sensing using imaging spectrometry offers new opportunities for detecting plant traits, with benefits for phenotyping, productivity estimation, stress detection, and biodiversity studies. Using proximal and airborne spectrometry, we evaluated variation in plant optical properties at various spatial and spectral scales with the goal of identifying optimal scales for distinguishing plant traits related to photosynthetic function. Using directed approaches based on physiological vegetation indices, and statistical approaches based on spectral information content, we explored alternate ways of distinguishing plant traits with imaging spectrometry. With both leaf traits and canopy structure contributing to the signals, results exhibit a strong scale dependence. Our results demonstrate the benefits of multi-scale experimental approaches within a clear conceptual framework when applying remote sensing methods to plant trait detection for phenotyping, productivity, and biodiversity studies.

Shape-driven 3D segmentation using spherical wavelets.

PubMed

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2006-01-01

This paper presents a novel active surface segmentation algorithm using a multiscale shape representation and prior. We define a parametric model of a surface using spherical wavelet functions and learn a prior probability distribution over the wavelet coefficients to model shape variations at different scales and spatial locations in a training set. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior in the segmentation framework. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to the segmentation of brain caudate nucleus, of interest in the study of schizophrenia. Our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm by capturing finer shape details.

Modelling approaches for evaluating multiscale tendon mechanics

PubMed Central

Fang, Fei; Lake, Spencer P.

2016-01-01

Tendon exhibits anisotropic, inhomogeneous and viscoelastic mechanical properties that are determined by its complicated hierarchical structure and varying amounts/organization of different tissue constituents. Although extensive research has been conducted to use modelling approaches to interpret tendon structure–function relationships in combination with experimental data, many issues remain unclear (i.e. the role of minor components such as decorin, aggrecan and elastin), and the integration of mechanical analysis across different length scales has not been well applied to explore stress or strain transfer from macro- to microscale. This review outlines mathematical and computational models that have been used to understand tendon mechanics at different scales of the hierarchical organization. Model representations at the molecular, fibril and tissue levels are discussed, including formulations that follow phenomenological and microstructural approaches (which include evaluations of crimp, helical structure and the interaction between collagen fibrils and proteoglycans). Multiscale modelling approaches incorporating tendon features are suggested to be an advantageous methodology to understand further the physiological mechanical response of tendon and corresponding adaptation of properties owing to unique in vivo loading environments. PMID:26855747

Formulation of cosmic-ray solar daily variation and its seasonal variation, produced from generalized stationary anisotropy of solar origin

NASA Technical Reports Server (NTRS)

Tatsuoka, R.; Nagashima, K.

1985-01-01

In previous papers, a formulation was presented of cosmic ray daily variations produced from solar anisotropies stationary through a year, and also of their annual (or seasonal) modulation caused by the annual variation of the rotation axis of the Earth relative to that of the Sun. These anisotropies are symmetric for an arbitrary rotation around an axis. From observations of the tri-diurnal variation, it has been suggested that solar anisotropies also contain some axis-asymmetric term of the third order with respect to the IMF-axis. This suggestion has recently found support in a theoretical study by Munakata and Nagashima. According to their results, the terms of axis-asymmetry with respect to IMF-axis appear also in the 2nd order anisotropy, together with some different kinds of axis-symmetric terms. The contribution of these anisotropies to the daily variation is different from that of those discussed previously. The above mentioned formulation is extended to a case of a generalized anisotropy.

Spatial multi-scale variability of soil nutrients in relation to environmental factors in a typical agricultural region, eastern China.

PubMed

Liu, Yang; Lv, Jianshu; Zhang, Bing; Bi, Jun

2013-04-15

Identifying the sources of spatial variability and deficiency risk of soil nutrients is a crucial issue for soil and agriculture management. A total of 1247 topsoil samples (0-20 cm) were collected at the nodes of a 2×2 km grid in Rizhao City and the contents of soil organic carbon (OC), total nitrogen (TN), and total phosphorus (TP) were determined. Factorial kriging analysis (FKA), stepwise multiple regression, and indicator kriging (IK) were appled to investigate the scale dependent correlations among soil nutrients, identify the sources of spatial variability at each spatial scale, and delineate the potential risk of soil nutrient deficiency. Linear model of co-regionalization (LMC) fitting indicated that the presence of multi-scale variation was comprised of nugget effect, an exponential structure with a range of 12 km (local scale), and a spherical structure with a range of 84 km (regional scale). The short-range variation of OC and TN was mainly dominated by land use types, and TP was controlled by terrain. At long-range scale, spatial variation of OC, TN, and TP was dominated by parent material. Indicator kriging maps depicted the probability of soil nutrient deficiency compared with the background values in eastern Shandong province. The high deficiency risk area of all nutrient integration was mainly located in eastern and northwestern parts. Copyright © 2013 Elsevier B.V. All rights reserved.

Uranium Hydride Nucleation and Growth Model FY'16 ESC Annual Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, Mary Ann; Richards, Andrew Walter; Holby, Edward F.

2016-12-20

Uranium hydride corrosion is of great interest to the nuclear industry. Uranium reacts with water and/or hydrogen to form uranium hydride which adversely affects material performance. Hydride nucleation is influenced by thermal history, mechanical defects, oxide thickness, and chemical defects. Information has been gathered from past hydride experiments to formulate a uranium hydride model to be used in a Canned Subassembly (CSA) lifetime prediction model. This multi-scale computer modeling effort started in FY’13, and the fourth generation model is now complete. Additional high-resolution experiments will be run to further test the model.

Enabling Predictive Simulation and UQ of Complex Multiphysics PDE Systems by the Development of Goal-Oriented Variational Sensitivity Analysis and a-Posteriori Error Estimation Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Estep, Donald

2015-11-30

This project addressed the challenge of predictive computational analysis of strongly coupled, highly nonlinear multiphysics systems characterized by multiple physical phenomena that span a large range of length- and time-scales. Specifically, the project was focused on computational estimation of numerical error and sensitivity analysis of computational solutions with respect to variations in parameters and data. In addition, the project investigated the use of accurate computational estimates to guide efficient adaptive discretization. The project developed, analyzed and evaluated new variational adjoint-based techniques for integration, model, and data error estimation/control and sensitivity analysis, in evolutionary multiphysics multiscale simulations.

Interactions of multi-scale heterogeneity in the lithosphere: Australia

NASA Astrophysics Data System (ADS)

Kennett, B. L. N.; Yoshizawa, K.; Furumura, T.

2017-10-01

Understanding the complex heterogeneity of the continental lithosphere involves a wide variety of spatial scales and the synthesis of multiple classes of information. Seismic surface waves and multiply reflected body waves provide the main constraints on broad-scale structure, and bounds on the extent of the lithosphere-asthenosphere transition (LAT) can be found from the vertical gradients of S wavespeed. Information on finer-scale structures comes through body wave studies, including detailed seismic tomography and P-wave reflectivity extracted from stacked autocorrelograms of continuous component records. With the inclusion of deterministic large-scale structure and realistic medium-scale stochastic features fine-scale variations are subdued. The resulting multi-scale heterogeneity model for the Australian region gives a good representation of the character of observed seismograms and their geographic variations and matches the observations of P-wave reflectivity. P reflections in the 0.5-3.0 Hz band in the uppermost mantle suggest variations on vertical scales of a few hundred metres with amplitudes of the order of 1%. Interference of waves reflected or converted at sequences of such modest variations in physical properties produce relatively simple behaviour for lower frequencies, which can suggest simpler structures than are actually present. Vertical changes in the character of fine-scale heterogeneity can produce apparent discontinuities. In Central Australia a 'mid-lithospheric discontinuity' can be tracked via changes in frequency content of station reflectivity, with links to the broad-scale pattern of wavespeed gradients and, in particular, the gradients of radial anisotropy. Comparisons with xenolith results from southeastern Australia indicate a strong tie between geochemical stratification and P-wave reflectivity.

Level set formulation of two-dimensional Lagrangian vortex detection methods

NASA Astrophysics Data System (ADS)

Hadjighasem, Alireza; Haller, George

2016-10-01

We propose here the use of the variational level set methodology to capture Lagrangian vortex boundaries in 2D unsteady velocity fields. This method reformulates earlier approaches that seek material vortex boundaries as extremum solutions of variational problems. We demonstrate the performance of this technique for two different variational formulations built upon different notions of coherence. The first formulation uses an energy functional that penalizes the deviation of a closed material line from piecewise uniform stretching [Haller and Beron-Vera, J. Fluid Mech. 731, R4 (2013)]. The second energy function is derived for a graph-based approach to vortex boundary detection [Hadjighasem et al., Phys. Rev. E 93, 063107 (2016)]. Our level-set formulation captures an a priori unknown number of vortices simultaneously at relatively low computational cost. We illustrate the approach by identifying vortices from different coherence principles in several examples.

Using Multi-scale Dynamic Rupture Models to Improve Ground Motion Estimates: ALCF-2 Early Science Program Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ely, Geoffrey P.

2013-10-31

This project uses dynamic rupture simulations to investigate high-frequency seismic energy generation. The relevant phenomena (frictional breakdown, shear heating, effective normal-stress fluctuations, material damage, etc.) controlling rupture are strongly interacting and span many orders of magnitude in spatial scale, requiring highresolution simulations that couple disparate physical processes (e.g., elastodynamics, thermal weakening, pore-fluid transport, and heat conduction). Compounding the computational challenge, we know that natural faults are not planar, but instead have roughness that can be approximated by power laws potentially leading to large, multiscale fluctuations in normal stress. The capacity to perform 3D rupture simulations that couple these processes willmore » provide guidance for constructing appropriate source models for high-frequency ground motion simulations. The improved rupture models from our multi-scale dynamic rupture simulations will be used to conduct physicsbased (3D waveform modeling-based) probabilistic seismic hazard analysis (PSHA) for California. These calculation will provide numerous important seismic hazard results, including a state-wide extended earthquake rupture forecast with rupture variations for all significant events, a synthetic seismogram catalog for thousands of scenario events and more than 5000 physics-based seismic hazard curves for California.« less

Multi-scale modeling of relationships between forest health and climatic factors

Treesearch

Michael K. Crosby; Zhaofei Fan; Xingang Fan; Martin A. Spetich; Theodor D. Leininger

2015-01-01

Forest health and mortality trends are impacted by changes in climate. These trends can vary by species, plot location, forest type, and/or ecoregion. To assess the variation among these groups, Forest Inventory and Analysis (FIA) data were obtained for 10 states in the southeastern United States and combined with downscaled climate data from the Weather Research and...

Multi-scale habitat selection in highly territorial bird species: Exploring the contribution of nest, territory and landscape levels to site choice in breeding rallids (Aves: Rallidae)

NASA Astrophysics Data System (ADS)

Jedlikowski, Jan; Chibowski, Piotr; Karasek, Tomasz; Brambilla, Mattia

2016-05-01

Habitat selection often involves choices made at different spatial scales, but the underlying mechanisms are still poorly understood, and studies that investigate the relative importance of individual scales are rare. We investigated the effect of three spatial scales (landscape, territory, nest-site) on the occurrence pattern of little crake Zapornia parva and water rail Rallus aquaticus at 74 ponds in the Masurian Lakeland, Poland. Habitat structure, food abundance and water chemical parameters were measured at nests and random points within landscape plots (from 300-m to 50-m radius), territory (14-m) and nest-site plots (3-m). Regression analyses suggested that the most relevant scale was territory level, followed by landscape, and finally by nest-site for both species. Variation partitioning confirmed this pattern for water rail, but also highlighted the importance of nest-site (the level explaining the highest share of unique variation) for little crake. The most important variables determining the occurrence of both species were water body fragmentation (landscape), vegetation density (territory) and water depth (at territory level for little crake, and at nest-site level for water rail). Finally, for both species multi-scale models including factors from different levels were more parsimonious than single-scale ones, i.e. habitat selection was likely a multi-scale process. The importance of particular spatial scales seemed more related to life-history traits than to the extent of the scales considered. In the case of our study species, the territory level was highly important likely because both rallids have to obtain all the resources they need (nest site, food and mates) in relatively small areas, the multi-purpose territories they defend.

Probing multiscale transport and inhomogeneity in a lithium-ion cells using in-situ neutron methods

DOE PAGES

Zhou, Hui; An, Ke; Allu, Srikanth; ...

2016-01-01

Here, we demonstrate for the first time the lithiation process in graphitic anodes using insitu neutron radiography in a pouch cell format. The neutron absorption contrast shows a direct correlation between degree of lithiation and the discharge voltage plateau. Furthermore, we provide a semi-quantitative comparison between the observed spatial variations of neutron attenuation line profile across the graphite electrode and the calculated lithium concentration profiles computed under similar electrochemical discharge conditions. In conjunction, in situ neutron diffraction of a similar pouch cell under identical test protocol was carried to obtain information about the local phase changes upon lithiation. Combined in-situmore » radiography and diffraction opens up a powerful nondestructive method to understand the multi-scale nature of lithium transport and degradation in practical lithium-ion cells.« less

Correlations of multiscale entropy in the FX market

NASA Astrophysics Data System (ADS)

Stosic, Darko; Stosic, Dusan; Ludermir, Teresa; Stosic, Tatijana

2016-09-01

The regularity of price fluctuations in exchange rates plays a crucial role in FX market dynamics. Distinct variations in regularity arise from economic, social and political events, such as interday trading and financial crisis. This paper applies a multiscale time-dependent entropy method on thirty-three exchange rates to analyze price fluctuations in the FX. Correlation matrices of entropy values, termed entropic correlations, are in turn used to describe global behavior of the market. Empirical results suggest a weakly correlated market with pronounced collective behavior at bi-weekly trends. Correlations arise from cycles of low and high regularity in long-term trends. Eigenvalues of the correlation matrix also indicate a dominant European market, followed by shifting American, Asian, African, and Pacific influences. As a result, we find that entropy is a powerful tool for extracting important information from the FX market.

Shape-Driven 3D Segmentation Using Spherical Wavelets

PubMed Central

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2013-01-01

This paper presents a novel active surface segmentation algorithm using a multiscale shape representation and prior. We define a parametric model of a surface using spherical wavelet functions and learn a prior probability distribution over the wavelet coefficients to model shape variations at different scales and spatial locations in a training set. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior in the segmentation framework. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to the segmentation of brain caudate nucleus, of interest in the study of schizophrenia. Our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm by capturing finer shape details. PMID:17354875

Bayesian Models for Streamflow and River Network Reconstruction using Tree Rings

NASA Astrophysics Data System (ADS)

Ravindranath, A.; Devineni, N.

2016-12-01

Water systems face non-stationary, dynamically shifting risks due to shifting societal conditions and systematic long-term variations in climate manifesting as quasi-periodic behavior on multi-decadal time scales. Water systems are thus vulnerable to long periods of wet or dry hydroclimatic conditions. Streamflow is a major component of water systems and a primary means by which water is transported to serve ecosystems' and human needs. Thus, our concern is in understanding streamflow variability. Climate variability and impacts on water resources are crucial factors affecting streamflow, and multi-scale variability increases risk to water sustainability and systems. Dam operations are necessary for collecting water brought by streamflow while maintaining downstream ecological health. Rules governing dam operations are based on streamflow records that are woefully short compared to periods of systematic variation present in the climatic factors driving streamflow variability and non-stationarity. We use hierarchical Bayesian regression methods in order to reconstruct paleo-streamflow records for dams within a basin using paleoclimate proxies (e.g. tree rings) to guide the reconstructions. The riverine flow network for the entire basin is subsequently modeled hierarchically using feeder stream and tributary flows. This is a starting point in analyzing streamflow variability and risks to water systems, and developing a scientifically-informed dynamic risk management framework for formulating dam operations and water policies to best hedge such risks. We will apply this work to the Missouri and Delaware River Basins (DRB). Preliminary results of streamflow reconstructions for eight dams in the upper DRB using standard Gaussian regression with regional tree ring chronologies give streamflow records that now span two to two and a half centuries, and modestly smoothed versions of these reconstructed flows indicate physically-justifiable trends in the time series.

An adhesive contact mechanics formulation based on atomistically induced surface traction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Houfu; Ren, Bo; Li, Shaofan, E-mail: shaofan@berkeley.edu

2015-12-01

In this work, we have developed a novel multiscale computational contact formulation based on the generalized Derjuguin approximation for continua that are characterized by atomistically enriched constitutive relations in order to study macroscopic interaction between arbitrarily shaped deformable continua. The proposed adhesive contact formulation makes use of the microscopic interaction forces between individual particles in the interacting bodies. In particular, the double-layer volume integral describing the contact interaction (energy, force vector, matrix) is converted into a double-layer surface integral through a mathematically consistent approach that employs the divergence theorem and a special partitioning technique. The proposed contact model is formulatedmore » in the nonlinear continuum mechanics framework and implemented using the standard finite element method. With no large penalty constant, the stiffness matrix of the system will in general be well-conditioned, which is of great significance for quasi-static analysis. Three numerical examples are presented to illustrate the capability of the proposed method. Results indicate that with the same mesh configuration, the finite element computation based on the surface integral approach is faster and more accurate than the volume integral based approach. In addition, the proposed approach is energy preserving even in a very long dynamic simulation.« less

Nine formulations of quantum mechanics

NASA Astrophysics Data System (ADS)

Styer, Daniel F.; Balkin, Miranda S.; Becker, Kathryn M.; Burns, Matthew R.; Dudley, Christopher E.; Forth, Scott T.; Gaumer, Jeremy S.; Kramer, Mark A.; Oertel, David C.; Park, Leonard H.; Rinkoski, Marie T.; Smith, Clait T.; Wotherspoon, Timothy D.

2002-03-01

Nine formulations of nonrelativistic quantum mechanics are reviewed. These are the wavefunction, matrix, path integral, phase space, density matrix, second quantization, variational, pilot wave, and Hamilton-Jacobi formulations. Also mentioned are the many-worlds and transactional interpretations. The various formulations differ dramatically in mathematical and conceptual overview, yet each one makes identical predictions for all experimental results.

Formulation of additional observables for ENTREE

NASA Technical Reports Server (NTRS)

Findlay, J. T.; Heck, M. L.

1980-01-01

The S-band X and Y angles, SAMS, and TACAN range and bearing were incorporated into the ENTREE software for use by experimenters at LaRC for entry trajectory reconstruction purposes. Background discussions present the need for this added capability. Formulations for the various observables are presented. Both north-south and east-west antenna mounts were provided for in the S-band angle computations. Sub-vehicle terrain height variations are included in the SAMS model. Local magnetic variations were incorporated for the TACAN bearing computations. Observable formulations are discussed in detail along with the partial computations.

Application of variational and Galerkin equations to linear and nonlinear finite element analysis

NASA Technical Reports Server (NTRS)

Yu, Y.-Y.

1974-01-01

The paper discusses the application of the variational equation to nonlinear finite element analysis. The problem of beam vibration with large deflection is considered. The variational equation is shown to be flexible in both the solution of a general problem and in the finite element formulation. Difficulties are shown to arise when Galerkin's equations are used in the consideration of the finite element formulation of two-dimensional linear elasticity and of the linear classical beam.

Multiscale Imaging of the Mouse Cortex Using Two-Photon Microscopy and Wide-Field Illumination

NASA Astrophysics Data System (ADS)

Bumstead, Jonathan R.

The mouse brain can be studied over vast spatial scales ranging from microscopic imaging of single neurons to macroscopic measurements of hemodynamics acquired over the majority of the mouse cortex. However, most neuroimaging modalities are limited by a fundamental trade-off between the spatial resolution and the field-of-view (FOV) over which the brain can be imaged, making it difficult to fully understand the functional and structural architecture of the healthy mouse brain and its disruption in disease. My dissertation has focused on developing multiscale optical systems capable of imaging the mouse brain at both microscopic and mesoscopic spatial scales, specifically addressing the difference in spatial scales imaged with two-photon microscopy (TPM) and optical intrinsic signal imaging (OISI). Central to this work has been the formulation of a principled design strategy for extending the FOV of the two-photon microscope. Using this design approach, we constructed a TPM system with subcellular resolution and a FOV area 100 times greater than a conventional two-photon microscope. To image the ellipsoidal shape of the mouse cortex, we also developed the microscope to image arbitrary surfaces within a single frame using an electrically tunable lens. Finally, to address the speed limitations of the TPM systems developed during my dissertation, I also conducted research in large-scale neural phenomena occurring in the mouse brain imaged with high-speed OISI. The work conducted during my dissertation addresses some of the fundamental principles in designing and applying optical systems for multiscale imaging of the mouse brain.

A Goddard Multi-Scale Modeling System with Unified Physics

NASA Technical Reports Server (NTRS)

Tao, W.K.; Anderson, D.; Atlas, R.; Chern, J.; Houser, P.; Hou, A.; Lang, S.; Lau, W.; Peters-Lidard, C.; Kakar, R.;

The Bean model in suprconductivity: Variational formulation and numerical solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prigozhin, L.

The Bean critical-state model describes the penetration of magnetic field into type-II superconductors. Mathematically, this is a free boundary problem and its solution is of interest in applied superconductivity. We derive a variational formulation for the Bean model and use it to solve two-dimensional and axially symmetric critical-state problems numerically. 25 refs., 9 figs., 1 tab.

A dynamic wall model for Large-Eddy simulations of wind turbine dedicated airfoils

NASA Astrophysics Data System (ADS)

J, Calafell; O, Lehmkuhl; A, Carmona; D, Pérez-Segarra C.; A, Oliva

2014-06-01

This work aims at modelling the flow behavior past a wind turbine dedicated airfoil at high Reynolds number and large angle of attack (AoA). The DU-93-W-210 airfoil has been selected. To do this, Large Eddy Simulations (LES) have been performed. Momentum equations have been solved with a parallel unstructured symmetry preserving formulation while the wall-adapting local-eddy viscosity model within a variational multi-scale framework (VMS- WALE) is used as the subgrid-scales model. Since LES calculations are still very expensive at high Reynolds Number, specially at the near-wall region, a dynamic wall model has been implemented in order to overcome this limitation. The model has been validated with a very unresolved Channel Flow case at Reτ = 2000. Afterwards, the model is also tested with the Ahmed Car case, that from the flow physics point of view is more similar to an stalled airfoil than the Channel Flow is, including flow features as boundary layer detachment and recirculations. This case has been selected because experimental results of mean velocity profiles are available. Finally, a flow around a DU-93-W-210 airfoil is computed at Re = 3 x 106 and with an AoA of 15°. Numerical results are presented in comparison with Direct Numerical Simulation (DNS) or experimental data for all cases.

Bayesian Multiscale Modeling of Closed Curves in Point Clouds

PubMed Central

Gu, Kelvin; Pati, Debdeep; Dunson, David B.

2014-01-01

Modeling object boundaries based on image or point cloud data is frequently necessary in medical and scientific applications ranging from detecting tumor contours for targeted radiation therapy, to the classification of organisms based on their structural information. In low-contrast images or sparse and noisy point clouds, there is often insufficient data to recover local segments of the boundary in isolation. Thus, it becomes critical to model the entire boundary in the form of a closed curve. To achieve this, we develop a Bayesian hierarchical model that expresses highly diverse 2D objects in the form of closed curves. The model is based on a novel multiscale deformation process. By relating multiple objects through a hierarchical formulation, we can successfully recover missing boundaries by borrowing structural information from similar objects at the appropriate scale. Furthermore, the model’s latent parameters help interpret the population, indicating dimensions of significant structural variability and also specifying a ‘central curve’ that summarizes the collection. Theoretical properties of our prior are studied in specific cases and efficient Markov chain Monte Carlo methods are developed, evaluated through simulation examples and applied to panorex teeth images for modeling teeth contours and also to a brain tumor contour detection problem. PMID:25544786

Multiscale Simulation of Gas Film Lubrication During Liquid Droplet Collision

NASA Astrophysics Data System (ADS)

Chen, Xiaodong; Khare, Prashant; Ma, Dongjun; Yang, Vigor

2012-02-01

Droplet collision plays an elementary role in dense spray combustion process. When two droplets approach each other, a gas film forms in between. The pressure generated within the film prevents motion of approaching droplets. This fluid mechanics is fluid film lubrication that occurs when opposing bearing surfaces are completely separated by fluid film. The lubrication flow in gas film decides the collision outcome, coalescence or bouncing. Present study focuses on gas film drainage process over a wide range of Weber numbers during equal- and unequal-sized droplet collision. The formulation is based on complete set of conservation equations for both liquid and surrounding gas phases. An improved volume-of-fluid technique, augmented by an adaptive mesh refinement algorithm, is used to track liquid/gas interfaces. A unique thickness-based refinement algorithm based on topology of interfacial flow is developed and implemented to efficiently resolve the multiscale problem. The grid size on interface is up O(10-4) of droplet size with a max resolution of 0.015 μm. An advanced visualization technique using the Ray-tracing methodology is used to gain direct insights to detailed physics. Theories are established by analyzing the characteristics of shape changing and flow evolution.

Recent advances in computational-analytical integral transforms for convection-diffusion problems

NASA Astrophysics Data System (ADS)

Cotta, R. M.; Naveira-Cotta, C. P.; Knupp, D. C.; Zotin, J. L. Z.; Pontes, P. C.; Almeida, A. P.

2017-10-01

An unifying overview of the Generalized Integral Transform Technique (GITT) as a computational-analytical approach for solving convection-diffusion problems is presented. This work is aimed at bringing together some of the most recent developments on both accuracy and convergence improvements on this well-established hybrid numerical-analytical methodology for partial differential equations. Special emphasis is given to novel algorithm implementations, all directly connected to enhancing the eigenfunction expansion basis, such as a single domain reformulation strategy for handling complex geometries, an integral balance scheme in dealing with multiscale problems, the adoption of convective eigenvalue problems in formulations with significant convection effects, and the direct integral transformation of nonlinear convection-diffusion problems based on nonlinear eigenvalue problems. Then, selected examples are presented that illustrate the improvement achieved in each class of extension, in terms of convergence acceleration and accuracy gain, which are related to conjugated heat transfer in complex or multiscale microchannel-substrate geometries, multidimensional Burgers equation model, and diffusive metal extraction through polymeric hollow fiber membranes. Numerical results are reported for each application and, where appropriate, critically compared against the traditional GITT scheme without convergence enhancement schemes and commercial or dedicated purely numerical approaches.

Multi-scale Material Appearance

NASA Astrophysics Data System (ADS)

Wu, Hongzhi

Modeling and rendering the appearance of materials is important for a diverse range of applications of computer graphics - from automobile design to movies and cultural heritage. The appearance of materials varies considerably at different scales, posing significant challenges due to the sheer complexity of the data, as well the need to maintain inter-scale consistency constraints. This thesis presents a series of studies around the modeling, rendering and editing of multi-scale material appearance. To efficiently render material appearance at multiple scales, we develop an object-space precomputed adaptive sampling method, which precomputes a hierarchy of view-independent points that preserve multi-level appearance. To support bi-scale material appearance design, we propose a novel reflectance filtering algorithm, which rapidly computes the large-scale appearance from small-scale details, by exploiting the low-rank structures of Bidirectional Visible Normal Distribution Functions and pre-rotated Bidirectional Reflectance Distribution Functions in the matrix formulation of the rendering algorithm. This approach can guide the physical realization of appearance, as well as the modeling of real-world materials using very sparse measurements. Finally, we present a bi-scale-inspired high-quality general representation for material appearance described by Bidirectional Texture Functions. Our representation is at once compact, easily editable, and amenable to efficient rendering.

Multiscale Simulation Platform Linking Lithium Ion Battery Electrode Fabrication Process with Performance at the Cell Level.

PubMed

Ngandjong, Alain C; Rucci, Alexis; Maiza, Mariem; Shukla, Garima; Vazquez-Arenas, Jorge; Franco, Alejandro A

2017-12-07

A novel multiscale modeling platform is proposed to demonstrate the importance of particle assembly during battery electrode fabrication by showing its effect on battery performance. For the first time, a discretized three-dimensional (3D) electrode resulting from the simulation of its fabrication has been incorporated within a 3D continuum performance model. The study used LiNi 0.5 Co 0.2 Mn 0.3 O 2 as active material, and the effect of changes of electrode formulation is explored for three cases, namely 85:15, 90:10, and 95:5 ratios between active material and carbon-binder domains. Coarse-grained molecular dynamics is used to simulate the electrode fabrication. The resulting electrode mesostructure is characterized in terms of active material surface coverage by the carbon-binder domains and porosity. The trends observed are nonintuitive, indicating a high degree of complexity of the system. These structures are subsequently implemented into a 3D continuum model which displays distinct discharge behaviors for the three cases. The study offers a method for developing a coherent theoretical understanding of electrode fabrication that can help optimize battery performance.

Effective Simulation Strategy of Multiscale Flows using a Lattice Boltzmann model with a Stretched Lattice

NASA Astrophysics Data System (ADS)

Yahia, Eman; Premnath, Kannan

2017-11-01

Resolving multiscale flow physics (e.g. for boundary layer or mixing layer flows) effectively generally requires the use of different grid resolutions in different coordinate directions. Here, we present a new formulation of a multiple relaxation time (MRT)-lattice Boltzmann (LB) model for anisotropic meshes. It is based on a simpler and more stable non-orthogonal moment basis while the use of MRT introduces additional flexibility, and the model maintains a stream-collide procedure; its second order moment equilibria are augmented with additional velocity gradient terms dependent on grid aspect ratio that fully restores the required isotropy of the transport coefficients of the normal and shear stresses. Furthermore, by introducing additional cubic velocity corrections, it maintains Galilean invariance. The consistency of this stretched lattice based LB scheme with the Navier-Stokes equations is shown via a Chapman-Enskog expansion. Numerical study for a variety of benchmark flow problems demonstrate its ability for accurate and effective simulations at relatively high Reynolds numbers. The MRT-LB scheme is also shown to be more stable compared to prior LB models for rectangular grids, even for grid aspect ratios as small as 0.1 and for Reynolds numbers of 10000.

A model-adaptivity method for the solution of Lennard-Jones based adhesive contact problems

NASA Astrophysics Data System (ADS)

Ben Dhia, Hachmi; Du, Shuimiao

2018-05-01

The surface micro-interaction model of Lennard-Jones (LJ) is used for adhesive contact problems (ACP). To address theoretical and numerical pitfalls of this model, a sequence of partitions of contact models is adaptively constructed to both extend and approximate the LJ model. It is formed by a combination of the LJ model with a sequence of shifted-Signorini (or, alternatively, -Linearized-LJ) models, indexed by a shift parameter field. For each model of this sequence, a weak formulation of the associated local ACP is developed. To track critical localized adhesive areas, a two-step strategy is developed: firstly, a macroscopic frictionless (as first approach) linear-elastic contact problem is solved once to detect contact separation zones. Secondly, at each shift-adaptive iteration, a micro-macro ACP is re-formulated and solved within the multiscale Arlequin framework, with significant reduction of computational costs. Comparison of our results with available analytical and numerical solutions shows the effectiveness of our global strategy.

On the Theory and Numerical Simulation of Cohesive Crack Propagation with Application to Fiber-Reinforced Composites

NASA Technical Reports Server (NTRS)

Rudraraju, Siva Shankar; Garikipati, Krishna; Waas, Anthony M.; Bednarcyk, Brett A.

2013-01-01

The phenomenon of crack propagation is among the predominant modes of failure in many natural and engineering structures, often leading to severe loss of structural integrity and catastrophic failure. Thus, the ability to understand and a priori simulate the evolution of this failure mode has been one of the cornerstones of applied mechanics and structural engineering and is broadly referred to as "fracture mechanics." The work reported herein focuses on extending this understanding, in the context of through-thickness crack propagation in cohesive materials, through the development of a continuum-level multiscale numerical framework, which represents cracks as displacement discontinuities across a surface of zero measure. This report presents the relevant theory, mathematical framework, numerical modeling, and experimental investigations of through-thickness crack propagation in fiber-reinforced composites using the Variational Multiscale Cohesive Method (VMCM) developed by the authors.

Multiscale Sediment-Laden Flow Theory and Its Application in Flood Risk Management

NASA Astrophysics Data System (ADS)

Cao, Z. X.; Pender, G.; Hu, P.

2011-09-01

Sediment-laden flows over erodible bed normally feature multiple time scales. The time scales of sediment transport and bed deformation relative to the flow essentially measure how fast sediment transport adapts to capacity regime in line with local flow scenario and the bed deforms as compared to the flow, which literally dictate if a capacity based and/or decoupled model is justified. This paper synthesizes the recently developed multiscale theory for sediment-laden flows over erodible bed, with bed load and suspended load transport respectively. It is unravelled that bed load transport can adapt to capacity sufficiently rapidly even under highly unsteady flows and thus a capacity model is mostly applicable, whereas a non-capacity model is critical for suspended sediment because of the lower rate of adaptation to capacity. Physically coupled modeling is critical for cases characterized by rapid bed variation. Applications are outlined on flash floods and landslide dam break floods.

Quadrantal multi-scale distribution entropy analysis of heartbeat interval series based on a modified Poincaré plot

NASA Astrophysics Data System (ADS)

Huo, Chengyu; Huang, Xiaolin; Zhuang, Jianjun; Hou, Fengzhen; Ni, Huangjing; Ning, Xinbao

2013-09-01

The Poincaré plot is one of the most important approaches in human cardiac rhythm analysis. However, further investigations are still needed to concentrate on techniques that can characterize the dispersion of the points displayed by a Poincaré plot. Based on a modified Poincaré plot, we provide a novel measurement named distribution entropy (DE) and propose a quadrantal multi-scale distribution entropy analysis (QMDE) for the quantitative descriptions of the scatter distribution patterns in various regions and temporal scales. We apply this method to the heartbeat interval series derived from healthy subjects and congestive heart failure (CHF) sufferers, respectively, and find that the discriminations between them are most significant in the first quadrant, which implies significant impacts on vagal regulation brought about by CHF. We also investigate the day-night differences of young healthy people, and it is shown that the results present a clearly circadian rhythm, especially in the first quadrant. In addition, the multi-scale analysis indicates that the results of healthy subjects and CHF sufferers fluctuate in different trends with variation of the scale factor. The same phenomenon also appears in circadian rhythm investigations of young healthy subjects, which implies that the cardiac dynamic system is affected differently in various temporal scales by physiological or pathological factors.

Multiscale mobility networks and the spatial spreading of infectious diseases.

PubMed

Balcan, Duygu; Colizza, Vittoria; Gonçalves, Bruno; Hu, Hao; Ramasco, José J; Vespignani, Alessandro

2009-12-22

Among the realistic ingredients to be considered in the computational modeling of infectious diseases, human mobility represents a crucial challenge both on the theoretical side and in view of the limited availability of empirical data. To study the interplay between short-scale commuting flows and long-range airline traffic in shaping the spatiotemporal pattern of a global epidemic we (i) analyze mobility data from 29 countries around the world and find a gravity model able to provide a global description of commuting patterns up to 300 kms and (ii) integrate in a worldwide-structured metapopulation epidemic model a timescale-separation technique for evaluating the force of infection due to multiscale mobility processes in the disease dynamics. Commuting flows are found, on average, to be one order of magnitude larger than airline flows. However, their introduction into the worldwide model shows that the large-scale pattern of the simulated epidemic exhibits only small variations with respect to the baseline case where only airline traffic is considered. The presence of short-range mobility increases, however, the synchronization of subpopulations in close proximity and affects the epidemic behavior at the periphery of the airline transportation infrastructure. The present approach outlines the possibility for the definition of layered computational approaches where different modeling assumptions and granularities can be used consistently in a unifying multiscale framework.

Refined composite multiscale weighted-permutation entropy of financial time series

NASA Astrophysics Data System (ADS)

Zhang, Yongping; Shang, Pengjian

2018-04-01

For quantifying the complexity of nonlinear systems, multiscale weighted-permutation entropy (MWPE) has recently been proposed. MWPE has incorporated amplitude information and been applied to account for the multiple inherent dynamics of time series. However, MWPE may be unreliable, because its estimated values show large fluctuation for slight variation of the data locations, and a significant distinction only for the different length of time series. Therefore, we propose the refined composite multiscale weighted-permutation entropy (RCMWPE). By comparing the RCMWPE results with other methods' results on both synthetic data and financial time series, RCMWPE method shows not only the advantages inherited from MWPE but also lower sensitivity to the data locations, more stable and much less dependent on the length of time series. Moreover, we present and discuss the results of RCMWPE method on the daily price return series from Asian and European stock markets. There are significant differences between Asian markets and European markets, and the entropy values of Hang Seng Index (HSI) are close to but higher than those of European markets. The reliability of the proposed RCMWPE method has been supported by simulations on generated and real data. It could be applied to a variety of fields to quantify the complexity of the systems over multiple scales more accurately.

A probabilistic Hu-Washizu variational principle

NASA Technical Reports Server (NTRS)

Liu, W. K.; Belytschko, T.; Besterfield, G. H.

1987-01-01

A Probabilistic Hu-Washizu Variational Principle (PHWVP) for the Probabilistic Finite Element Method (PFEM) is presented. This formulation is developed for both linear and nonlinear elasticity. The PHWVP allows incorporation of the probabilistic distributions for the constitutive law, compatibility condition, equilibrium, domain and boundary conditions into the PFEM. Thus, a complete probabilistic analysis can be performed where all aspects of the problem are treated as random variables and/or fields. The Hu-Washizu variational formulation is available in many conventional finite element codes thereby enabling the straightforward inclusion of the probabilistic features into present codes.

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

DOE PAGES

Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

2015-08-06

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performingmore » microcanonical excited state molecular dynamics with p-nitroaniline.« less

Dual-scale Galerkin methods for Darcy flow

NASA Astrophysics Data System (ADS)

Wang, Guoyin; Scovazzi, Guglielmo; Nouveau, Léo; Kees, Christopher E.; Rossi, Simone; Colomés, Oriol; Main, Alex

2018-02-01

The discontinuous Galerkin (DG) method has found widespread application in elliptic problems with rough coefficients, of which the Darcy flow equations are a prototypical example. One of the long-standing issues of DG approximations is the overall computational cost, and many different strategies have been proposed, such as the variational multiscale DG method, the hybridizable DG method, the multiscale DG method, the embedded DG method, and the Enriched Galerkin method. In this work, we propose a mixed dual-scale Galerkin method, in which the degrees-of-freedom of a less computationally expensive coarse-scale approximation are linked to the degrees-of-freedom of a base DG approximation. We show that the proposed approach has always similar or improved accuracy with respect to the base DG method, with a considerable reduction in computational cost. For the specific definition of the coarse-scale space, we consider Raviart-Thomas finite elements for the mass flux and piecewise-linear continuous finite elements for the pressure. We provide a complete analysis of stability and convergence of the proposed method, in addition to a study on its conservation and consistency properties. We also present a battery of numerical tests to verify the results of the analysis, and evaluate a number of possible variations, such as using piecewise-linear continuous finite elements for the coarse-scale mass fluxes.

Multi-scale structures and pasting characteristics of starch in whole-wheat flour treated by superfine grinding.

PubMed

Niu, Meng; Zhang, Binjia; Jia, Caihua; Zhao, Siming

2017-11-01

The multi-scale structures and pasting properties of starch in WWF were investigated after superfine grinding. Five particle size distributions of WWF and their corresponding starch were obtained. The grinding process reduced the particle size of WWF and starch. However, a slight increase of fragments from starch granules was observed with enhanced grinding strength because of the small decrease in starch particle size and the existence of other WWF components that undertook some of shearing force and friction during grinding. A prominent reduction in starch crystallinity was resulted due to the destruction of crystalline structure by grinding. Small-angle X-ray scattering analyses indicated the disordering in starch semi-crystalline lamellae with thinner lamellae thickness. Additionally, the 13 C Nuclear Magnetic Resonance spectra demonstrated the alterations in starch chain conformation by varying peak areas of starch carbons (C1 and C4). Along with these structural changes, Starch pasting characteristics showed substantial variations, indicating decreased viscosities and higher pasting stability. The results suggest that the grinding treatments influenced the structures and pasting properties of starch even at a non-separated state, the changes in starch structures were related to the variations in starch gelatinization characteristics. Copyright © 2017 Elsevier B.V. All rights reserved.

Age-related variation in EEG complexity to photic stimulation: A multiscale entropy analysis

PubMed Central

Takahashi, Tetsuya; Cho, Raymond Y.; Murata, Tetsuhito; Mizuno, Tomoyuki; Kikuchi, Mitsuru; Mizukami, Kimiko; Kosaka, Hirotaka; Takahashi, Koichi; Wada, Yuji

2010-01-01

Objective This study was intended to examine variations in electroencephalographic (EEG) complexity in response to photic stimulation (PS) during aging to test the hypothesis that the aging process reduces physiologic complexity and functional responsiveness. Methods Multiscale entropy (MSE), an estimate of time-series signal complexity associated with long-range temporal correlation, is used as a recently proposed method for quantifying EEG complexity with multiple coarse-grained sequences. We recorded EEG in 13 healthy elderly subjects and 12 healthy young subjects during pre-PS and post-PS conditions and estimated their respective MSE values. Results For the pre-PS condition, no significant complexity difference was found between the groups. However, a significant MSE change (complexity increase) was found post-PS only in young subjects, thereby revealing a power-law scaling property, which means long-range temporal correlation. Conclusions Enhancement of long-range temporal correlation in young subjects after PS might reflect a cortical response to stimuli, which was absent in elderly subjects. These results are consistent with the general “loss of complexity/diminished functional response to stimuli” theory of aging. Significance Our findings demonstrate that application of MSE analysis to EEG is a powerful approach for studying age-related changes in brain function. PMID:19231279

A Variational Principle for Reconstruction of Elastic Deformations in Shear Deformable Plates and Shells

NASA Technical Reports Server (NTRS)

Tessler, Alexander; Spangler, Jan L.

2003-01-01

A variational principle is formulated for the inverse problem of full-field reconstruction of three-dimensional plate/shell deformations from experimentally measured surface strains. The formulation is based upon the minimization of a least squares functional that uses the complete set of strain measures consistent with linear, first-order shear-deformation theory. The formulation, which accommodates for transverse shear deformation, is applicable for the analysis of thin and moderately thick plate and shell structures. The main benefit of the variational principle is that it is well suited for C(sup 0)-continuous displacement finite element discretizations, thus enabling the development of robust algorithms for application to complex civil and aeronautical structures. The methodology is especially aimed at the next generation of aerospace vehicles for use in real-time structural health monitoring systems.

Characterization of Field Line Topologies Near the Magnetopause Using Electron Pitch Angle Measurements

NASA Astrophysics Data System (ADS)

Payne, D.; Argall, M. R.; Dors, I.; Ergun, R.; Farrugia, C. J.; Giles, B. L.; Russell, C.; Torbert, R. B.; Vaith, H.; Magnes, W.

2016-12-01

The electron drift instrument (EDI) on the Magnetospheric Multiscale (MMS) mission detects 0 and 180 degree pitch angle electrons on millisecond timescales. Using this data, we observe rapid variation of these electron fluxes in regions close to the magnetopause boundary. These variations in flux provide key insights into the dynamic field line configurations that arise from reconnection. These variations in the field detected by the spacecraft may be indicative of rapid reconnection or oscillations in the position of the boundary itself. By investigating these fluctuations near the magnetopause, we may be able to discover which of these processes, if any, are occurring. The results of this investigation may provide further insight into the process of reconnection and its effect on magnetic field topologies in the magnetosphere.

Hyperlipidemia affects multiscale structure and strength of murine femur.

PubMed

Ascenzi, Maria-Grazia; Lutz, Andre; Du, Xia; Klimecky, Laureen; Kawas, Neal; Hourany, Talia; Jahng, Joelle; Chin, Jesse; Tintut, Yin; Nackenhors, Udo; Keyak, Joyce

2014-07-18

To improve bone strength prediction beyond limitations of assessment founded solely on the bone mineral component, we investigated the effect of hyperlipidemia, present in more than 40% of osteoporotic patients, on multiscale structure of murine bone. Our overarching purpose is to estimate bone strength accurately, to facilitate mitigating fracture morbidity and mortality in patients. Because (i) orientation of collagen type I affects, independently of degree of mineralization, cortical bone׳s micro-structural strength; and, (ii) hyperlipidemia affects collagen orientation and μCT volumetric tissue mineral density (vTMD) in murine cortical bone, we have constructed the first multiscale finite element (mFE), mouse-specific femoral model to study the effect of collagen orientation and vTMD on strength in Ldlr(-/-), a mouse model of hyperlipidemia, and its control wild type, on either high fat diet or normal diet. Each µCT scan-based mFE model included either element-specific elastic orthotropic properties calculated from collagen orientation and vTMD (collagen-density model) by experimentally validated formulation, or usual element-specific elastic isotropic material properties dependent on vTMD-only (density-only model). We found that collagen orientation, assessed by circularly polarized light and confocal microscopies, and vTMD, differed among groups and that microindentation results strongly correlate with elastic modulus of collagen-density models (r(2)=0.85, p=10(-5)). Collagen-density models yielded (1) larger strains, and therefore lower strength, in simulations of 3-point bending and physiological loading; and (2) higher correlation between mFE-predicted strength and 3-point bending experimental strength, than density-only models. This novel method supports ongoing translational research to achieve the as yet elusive goal of accurate bone strength prediction. Copyright © 2014 Elsevier Ltd. All rights reserved.

Multi-scale structures of turbulent magnetic reconnection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakamura, T. K. M., E-mail: takuma.nakamura@oeaw.ac.at; Nakamura, R.; Narita, Y.

2016-05-15

We have analyzed data from a series of 3D fully kinetic simulations of turbulent magnetic reconnection with a guide field. A new concept of the guide filed reconnection process has recently been proposed, in which the secondary tearing instability and the resulting formation of oblique, small scale flux ropes largely disturb the structure of the primary reconnection layer and lead to 3D turbulent features [W. Daughton et al., Nat. Phys. 7, 539 (2011)]. In this paper, we further investigate the multi-scale physics in this turbulent, guide field reconnection process by introducing a wave number band-pass filter (k-BPF) technique in whichmore » modes for the small scale (less than ion scale) fluctuations and the background large scale (more than ion scale) variations are separately reconstructed from the wave number domain to the spatial domain in the inverse Fourier transform process. Combining with the Fourier based analyses in the wave number domain, we successfully identify spatial and temporal development of the multi-scale structures in the turbulent reconnection process. When considering a strong guide field, the small scale tearing mode and the resulting flux ropes develop over a specific range of oblique angles mainly along the edge of the primary ion scale flux ropes and reconnection separatrix. The rapid merging of these small scale modes leads to a smooth energy spectrum connecting ion and electron scales. When the guide field is sufficiently weak, the background current sheet is strongly kinked and oblique angles for the small scale modes are widely scattered at the kinked regions. Similar approaches handling both the wave number and spatial domains will be applicable to the data from multipoint, high-resolution spacecraft observations such as the NASA magnetospheric multiscale (MMS) mission.« less

Multi-scale structures of turbulent magnetic reconnection

NASA Astrophysics Data System (ADS)

Nakamura, T. K. M.; Nakamura, R.; Narita, Y.; Baumjohann, W.; Daughton, W.

2016-05-01

We have analyzed data from a series of 3D fully kinetic simulations of turbulent magnetic reconnection with a guide field. A new concept of the guide filed reconnection process has recently been proposed, in which the secondary tearing instability and the resulting formation of oblique, small scale flux ropes largely disturb the structure of the primary reconnection layer and lead to 3D turbulent features [W. Daughton et al., Nat. Phys. 7, 539 (2011)]. In this paper, we further investigate the multi-scale physics in this turbulent, guide field reconnection process by introducing a wave number band-pass filter (k-BPF) technique in which modes for the small scale (less than ion scale) fluctuations and the background large scale (more than ion scale) variations are separately reconstructed from the wave number domain to the spatial domain in the inverse Fourier transform process. Combining with the Fourier based analyses in the wave number domain, we successfully identify spatial and temporal development of the multi-scale structures in the turbulent reconnection process. When considering a strong guide field, the small scale tearing mode and the resulting flux ropes develop over a specific range of oblique angles mainly along the edge of the primary ion scale flux ropes and reconnection separatrix. The rapid merging of these small scale modes leads to a smooth energy spectrum connecting ion and electron scales. When the guide field is sufficiently weak, the background current sheet is strongly kinked and oblique angles for the small scale modes are widely scattered at the kinked regions. Similar approaches handling both the wave number and spatial domains will be applicable to the data from multipoint, high-resolution spacecraft observations such as the NASA magnetospheric multiscale (MMS) mission.

Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.

PubMed

Di Remigio, Roberto; Beerepoot, Maarten T P; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca

2016-12-21

The study of high-order absorption properties of molecules is a field of growing importance. Quantum-chemical studies can help design chromophores with desirable characteristics. Given that most experiments are performed in solution, it is important to devise a cost-effective strategy to include solvation effects in quantum-chemical studies of these properties. We here present an open-ended formulation of self-consistent field (SCF) response theory for a molecular solute coupled to a polarizable continuum model (PCM) description of the solvent. Our formulation relies on the open-ended, density matrix-based quasienergy formulation of SCF response theory of Thorvaldsen, et al., [J. Chem. Phys., 2008, 129, 214108] and the variational formulation of the PCM, as presented by Lipparini et al., [J. Chem. Phys., 2010, 133, 014106]. Within the PCM approach to solvation, the mutual solute-solvent polarization is represented by means of an apparent surface charge (ASC) spread over the molecular cavity defining the solute-solvent boundary. In the variational formulation, the ASC is an independent, variational degree of freedom. This allows us to formulate response theory for molecular solutes in the fixed-cavity approximation up to arbitrary order and with arbitrary perturbation operators. For electric dipole perturbations, pole and residue analyses of the response functions naturally lead to the identification of excitation energies and transition moments. We document the implementation of this approach in the Dalton program package using a recently developed open-ended response code and the PCMSolver libraries and present results for one-, two-, three-, four- and five-photon absorption processes of three small molecules in solution.

Quantum theory of multiscale coarse-graining.

PubMed

Han, Yining; Jin, Jaehyeok; Wagner, Jacob W; Voth, Gregory A

2018-03-14

Coarse-grained (CG) models serve as a powerful tool to simulate molecular systems at much longer temporal and spatial scales. Previously, CG models and methods have been built upon classical statistical mechanics. The present paper develops a theory and numerical methodology for coarse-graining in quantum statistical mechanics, by generalizing the multiscale coarse-graining (MS-CG) method to quantum Boltzmann statistics. A rigorous derivation of the sufficient thermodynamic consistency condition is first presented via imaginary time Feynman path integrals. It identifies the optimal choice of CG action functional and effective quantum CG (qCG) force field to generate a quantum MS-CG (qMS-CG) description of the equilibrium system that is consistent with the quantum fine-grained model projected onto the CG variables. A variational principle then provides a class of algorithms for optimally approximating the qMS-CG force fields. Specifically, a variational method based on force matching, which was also adopted in the classical MS-CG theory, is generalized to quantum Boltzmann statistics. The qMS-CG numerical algorithms and practical issues in implementing this variational minimization procedure are also discussed. Then, two numerical examples are presented to demonstrate the method. Finally, as an alternative strategy, a quasi-classical approximation for the thermal density matrix expressed in the CG variables is derived. This approach provides an interesting physical picture for coarse-graining in quantum Boltzmann statistical mechanics in which the consistency with the quantum particle delocalization is obviously manifest, and it opens up an avenue for using path integral centroid-based effective classical force fields in a coarse-graining methodology.

Mechanisms governing brittle fault mechanics - a multi-scale study from the Permian Khao-Kwang fold-and-thrust belt, Thailand

NASA Astrophysics Data System (ADS)

von Hagke, Christoph; Morley, Chris; Kanitpanyacharoen, Waruntorn

2017-04-01

Despite our qualitative understanding of factors contributing to thrust and detachment weakness such as mineralogy, pore fluid pressure, or efficiency of structure localization, it is difficult to assess the contribution of the individual factors. Here we present multi-scale analysis of a mixed clay / carbonate high displacement (kms of heave) thrust zone, where it is possible to study structures formed within a similar temperature and pressure regime, and thus only varying due to lithological contrasts. We mapped the well-exposed thrust zone in a large quarry at outcrop scale in five separate sections present along a strike-distance of 1 km. The thrust zone shows considerable variations in structural style, as well as localization within different clay and limestone horizons. Zones of low and high strain have been identified. We investigate these changes in macroscopic deformation style using Virtual Polarizing Microscopy, and the combined methods of Broad Ion Beam milling and Scanning Electron Microscopy in addition with XRD analysis. We characterize structural and mineralogical variations in the thrust zone at all scales, from outcrop down to nano-meters. Results show strain localization is heterogeneous, with strong variations along strike. Within the clay package, strain localizes along zones rich in organic matter. Microstructures are complex, and show multiple deformation events, including crack-seal processes and reworking of vein material. Pressure solution is dominant. XRD analysis shows mineralogical differences between zones of high and low strain within the shale-dominated package. However, highest strain does not only occur in the clay units, but partly is accommodated in the surrounding limestone.

Divergent conservation laws in hyperbolic thermoelasticity

NASA Astrophysics Data System (ADS)

Murashkin, E. V.; Radayev, Y. N.

2018-05-01

The present study is devoted to the problem of formulation of conservation laws in divergent form for hyperbolic thermoelastic continua. The field formalism is applied to study the problem. A natural density of thermoelastic action and the corresponding variational least action principle are formulated. A special form of the first variation of the action is employed to obtain 4-covariant divergent conservation laws. Differential field equations and constitutive laws are derived from a special form of the first variation of the action integral. The objectivity of constitutive equations is provided by the rotationally invariant forms of the Lagrangian employed.

Computational Characterization of Impact Induced Multi-Scale Dissipation in Reactive Solid Composites

DTIC Science & Technology

2016-07-01

Predicted variation in (a) hot-spot number density , (b) hot-spot volume fraction, and (c) hot-spot specific surface area for each ensemble with piston speed...packing density , characterized by its effective solid volume fraction φs,0, affects hot-spot statistics for pressure dominated waves corresponding to...distribution in solid volume fraction within each ensemble was nearly Gaussian, and its standard deviation decreased with increasing density . Analysis of

Multiscale Problems in Circadian Systems Biology: From Gene to Cell to Performance

DTIC Science & Technology

2012-03-22

observed circadian phenotypes of gene knockouts including circadian amplitude variation due to loss of metabolic activity (e.g. SIRT1 -/-), Figure 9(right...non peer-reviewed journals: 1. Foteinou P.T., J. Hogenesch and F.J. Doyle 3rd. Elucidating the Effects of SIRT1 on Circadian Amplitude: Insights from...central pacemaker in the suprachiasmatic nucleus (SCN) which coordinates the oscillating activity of peripheral clocks that are present in almost all

Vector potential methods

NASA Technical Reports Server (NTRS)

Hafez, M.

1989-01-01

Vector potential and related methods, for the simulation of both inviscid and viscous flows over aerodynamic configurations, are briefly reviewed. The advantages and disadvantages of several formulations are discussed and alternate strategies are recommended. Scalar potential, modified potential, alternate formulations of Euler equations, least-squares formulation, variational principles, iterative techniques and related methods, and viscous flow simulation are discussed.

Revisiting drought impact on tropical forest photosynthesis: a novel multi-scale integrated approach reveals new insights

NASA Astrophysics Data System (ADS)

Detto, M.; Wu, J.; Xu, X.; Serbin, S.; Rogers, A.

2017-12-01

A fundamental unanswered question for global change ecology is to determine the vulnerability of tropical forests to climate change, particularly with increasing intensity and frequency of drought events. This question, despite its apparent simplicity, remains difficult for earth system models to answer, and is controversial in remote sensing literature. Here, we leverage unique multi-scale remote sensing measurements (from leaf to crown) in conjunction with four-continuous-year (2013-2017) eddy covariance measurements of ecosystem carbon fluxes in a tropical forest in Panama to revisit this question. We hypothesize that drought impacts tropical forest photosynthesis through variation in abiotic drivers (solar radiation, diffuse light fraction, and vapor pressure deficit) that interact with physiological traits that govern photosynthesis, and biotic variation in ecosystem photosynthetic capacity associated with changes in the traits themselves. Our study site, located in a seasonal tropical forest on Barro Colorado Island (BCI), Panama, experienced a significant drought in 2015. Local eddy covariance derived photosynthesis shows an abrupt increase during the drought year. Our specific goal here is to assess the relative impact of abiotic and biotic drivers of such photosynthesis response to interannual drought. To this goal, we derived abiotic drivers from eddy tower-based meteorological measurements. We will derive the biotic drivers using a recently developed leaf demography-ontogeny model, where ecosystem photosynthetic capacity can be described as the product of field measured, age-dependent leaf photosynthetic capacity and local tower-camera derived ecosystem-scale inter-annual variability in leaf age demography of the same time period (2013-2017). Lastly, we will use a process-based model to assess the separate and joint effects of abiotic and biotic drivers on eddy covariance derive photosynthetic interannual variability. Collectively, this novel multi-scale integrated study aims to improve ecophysiological understanding of tropical forest response to interannual climate variability, highlighting the importance to combine state-of-the-art technology and theories to improve future projections of carbon dynamics in the tropics.

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burke, Michael P.; Goldsmith, C. Franklin; Klippenstein, Stephen J.

2015-07-16

We have developed a multi-scale approach (Burke, M. P.; Klippenstein, S. J.; Harding, L. B. Proc. Combust. Inst. 2013, 34, 547–555.) to kinetic model formulation that directly incorporates elementary kinetic theories as a means to provide reliable, physics-based extrapolation to unexplored conditions. Here, we extend and generalize the multi-scale modeling strategy to treat systems of considerable complexity – involving multi-well reactions, potentially missing reactions, non-statistical product branching ratios, and non-Boltzmann (i.e. non-thermal) reactant distributions. The methodology is demonstrated here for a subsystem of low-temperature propane oxidation, as a representative system for low-temperature fuel oxidation. A multi-scale model is assembled andmore » informed by a wide variety of targets that include ab initio calculations of molecular properties, rate constant measurements of isolated reactions, and complex systems measurements. Active model parameters are chosen to accommodate both “parametric” and “structural” uncertainties. Theoretical parameters (e.g. barrier heights) are included as active model parameters to account for parametric uncertainties in the theoretical treatment; experimental parameters (e.g. initial temperatures) are included to account for parametric uncertainties in the physical models of the experiments. RMG software is used to assess potential structural uncertainties due to missing reactions. Additionally, branching ratios among product channels are included as active model parameters to account for structural uncertainties related to difficulties in modeling sequences of multiple chemically activated steps. The approach is demonstrated here for interpreting time-resolved measurements of OH, HO2, n-propyl, i-propyl, propene, oxetane, and methyloxirane from photolysis-initiated low-temperature oxidation of propane at pressures from 4 to 60 Torr and temperatures from 300 to 700 K. In particular, the multi-scale informed model provides a consistent quantitative explanation of both ab initio calculations and time-resolved species measurements. The present results show that interpretations of OH measurements are significantly more complicated than previously thought – in addition to barrier heights for key transition states considered previously, OH profiles also depend on additional theoretical parameters for R + O2 reactions, secondary reactions, QOOH + O2 reactions, and treatment of non-Boltzmann reaction sequences. Extraction of physically rigorous information from those measurements may require more sophisticated treatment of all of those model aspects, as well as additional experimental data under more conditions, to discriminate among possible interpretations and ensure model reliability. Keywords: Optimization, Uncertainty quantification, Chemical mechanism, Low-Temperature Oxidation, Non-Boltzmann« less

Multiscale modelling and analysis of collective decision making in swarm robotics.

PubMed

Vigelius, Matthias; Meyer, Bernd; Pascoe, Geoffrey

2014-01-01

We present a unified approach to describing certain types of collective decision making in swarm robotics that bridges from a microscopic individual-based description to aggregate properties. Our approach encompasses robot swarm experiments, microscopic and probabilistic macroscopic-discrete simulations as well as an analytic mathematical model. Following up on previous work, we identify the symmetry parameter, a measure of the progress of the swarm towards a decision, as a fundamental integrated swarm property and formulate its time evolution as a continuous-time Markov process. Contrary to previous work, which justified this approach only empirically and a posteriori, we justify it from first principles and derive hard limits on the parameter regime in which it is applicable.

Scale-dependent behavior of scale equations.

PubMed

Kim, Pilwon

2009-09-01

We propose a new mathematical framework to formulate scale structures of general systems. Stack equations characterize a system in terms of accumulative scales. Their behavior at each scale level is determined independently without referring to other levels. Most standard geometries in mathematics can be reformulated in such stack equations. By involving interaction between scales, we generalize stack equations into scale equations. Scale equations are capable to accommodate various behaviors at different scale levels into one integrated solution. On contrary to standard geometries, such solutions often reveal eccentric scale-dependent figures, providing a clue to understand multiscale nature of the real world. Especially, it is suggested that the Gaussian noise stems from nonlinear scale interactions.

An experimental trip to the Calculus of Variations

NASA Astrophysics Data System (ADS)

Arroyo, Josu

2008-04-01

This paper presents a collection of experiments in the Calculus of Variations. The implementation of the Gradient Descent algorithm built on cubic-splines acting as "numerically friendly" elementary functions, give us ways to solve variational problems by constructing the solution. It wins a pragmatic point of view: one gets solutions sometimes as fast as possible, sometimes as close as possible to the true solutions. The balance speed/precision is not always easy to achieve. Starting from the most well-known, classic or historical formulation of a variational problem, section 2 describes briefly the bridge between theoretical and computational formulations. The next sections show the results of several kind of experiments; from the most basics, as those about geodesics, to the most complex, as those about vesicles.

Multiscale Characterization of PM2.5 in Southern Taiwan based on Noise-assisted Multivariate Empirical Mode Decomposition and Time-dependent Intrinsic Correlation

NASA Astrophysics Data System (ADS)

Hsiao, Y. R.; Tsai, C.

2017-12-01

As the WHO Air Quality Guideline indicates, ambient air pollution exposes world populations under threat of fatal symptoms (e.g. heart disease, lung cancer, asthma etc.), raising concerns of air pollution sources and relative factors. This study presents a novel approach to investigating the multiscale variations of PM2.5 in southern Taiwan over the past decade, with four meteorological influencing factors (Temperature, relative humidity, precipitation and wind speed),based on Noise-assisted Multivariate Empirical Mode Decomposition(NAMEMD) algorithm, Hilbert Spectral Analysis(HSA) and Time-dependent Intrinsic Correlation(TDIC) method. NAMEMD algorithm is a fully data-driven approach designed for nonlinear and nonstationary multivariate signals, and is performed to decompose multivariate signals into a collection of channels of Intrinsic Mode Functions (IMFs). TDIC method is an EMD-based method using a set of sliding window sizes to quantify localized correlation coefficients for multiscale signals. With the alignment property and quasi-dyadic filter bank of NAMEMD algorithm, one is able to produce same number of IMFs for all variables and estimates the cross correlation in a more accurate way. The performance of spectral representation of NAMEMD-HSA method is compared with Complementary Empirical Mode Decomposition/ Hilbert Spectral Analysis (CEEMD-HSA) and Wavelet Analysis. The nature of NAMAMD-based TDICC analysis is then compared with CEEMD-based TDIC analysis and the traditional correlation analysis.

Multiscale Modeling: A Review

NASA Astrophysics Data System (ADS)

Horstemeyer, M. F.

This review of multiscale modeling covers a brief history of various multiscale methodologies related to solid materials and the associated experimental influences, the various influence of multiscale modeling on different disciplines, and some examples of multiscale modeling in the design of structural components. Although computational multiscale modeling methodologies have been developed in the late twentieth century, the fundamental notions of multiscale modeling have been around since da Vinci studied different sizes of ropes. The recent rapid growth in multiscale modeling is the result of the confluence of parallel computing power, experimental capabilities to characterize structure-property relations down to the atomic level, and theories that admit multiple length scales. The ubiquitous research that focus on multiscale modeling has broached different disciplines (solid mechanics, fluid mechanics, materials science, physics, mathematics, biological, and chemistry), different regions of the world (most continents), and different length scales (from atoms to autos).

Thermo-mechanical behavior of power electronic packaging assemblies: From characterization to predictive simulation of lifetimes

NASA Astrophysics Data System (ADS)

Dalverny, O.; Alexis, J.

2018-02-01

This article deals with thermo-mechanical behavior of power electronic modules used in several transportation applications as railway, aeronautic or automotive systems. Due to a multi-layered structures, involving different materials with a large variation of coefficient of thermal expansion, temperature variations originated from active or passive cycling (respectively from die dissipation or environmental constraint) induces strain and stresses field variations, giving fatigue phenomenon of the system. The analysis of the behavior of these systems and their dimensioning require the implementation of complex modeling strategies by both the multi-physical and the multi-scale character of the power modules. In this paper we present some solutions for studying the thermomechanical behavior of brazed assemblies as well as taking into account the interfaces represented by the numerous metallizations involved in the process assembly.

Three-dimensional compact explicit-finite difference time domain scheme with density variation

NASA Astrophysics Data System (ADS)

Tsuchiya, Takao; Maruta, Naoki

2018-07-01

In this paper, the density variation is implemented in the three-dimensional compact-explicit finite-difference time-domain (CE-FDTD) method. The formulation is first developed based on the continuity equation and the equation of motion, which include the density. Some numerical demonstrations are performed for the three-dimensional sound wave propagation in a two density layered medium. The numerical results are compared with the theoretical results to verify the proposed formulation.

Multi-scale Multi-mechanism Toughening of Hydrogels

NASA Astrophysics Data System (ADS)

Zhao, Xuanhe

Hydrogels are widely used as scaffolds for tissue engineering, vehicles for drug delivery, actuators for optics and fluidics, and model extracellular matrices for biological studies. The scope of hydrogel applications, however, is often severely limited by their mechanical properties. Inspired by the mechanics and hierarchical structures of tough biological tissues, we propose that a general principle for the design of tough hydrogels is to implement two mechanisms for dissipating mechanical energy and maintaining high elasticity in hydrogels. A particularly promising strategy for the design is to integrate multiple pairs of mechanisms across multiple length scales into a hydrogel. We develop a multiscale theoretical framework to quantitatively guide the design of tough hydrogels. On the network level, we have developed micro-physical models to characterize the evolution of polymer networks under deformation. On the continuum level, we have implemented constitutive laws formulated from the network-level models into a coupled cohesive-zone and Mullins-effect model to quantitatively predict crack propagation and fracture toughness of hydrogels. Guided by the design principle and quantitative model, we will demonstrate a set of new hydrogels, based on diverse types of polymers, yet can achieve extremely high toughness superior to their natural counterparts such as cartilages. The work was supported by NSF(No. CMMI- 1253495) and ONR (No. N00014-14-1-0528).

Understanding perception of active noise control system through multichannel EEG analysis.

PubMed

Bagha, Sangeeta; Tripathy, R K; Nanda, Pranati; Preetam, C; Das, Debi Prasad

2018-06-01

In this Letter, a method is proposed to investigate the effect of noise with and without active noise control (ANC) on multichannel electroencephalogram (EEG) signal. The multichannel EEG signal is recorded during different listening conditions such as silent, music, noise, ANC with background noise and ANC with both background noise and music. The multiscale analysis of EEG signal of each channel is performed using the discrete wavelet transform. The multivariate multiscale matrices are formulated based on the sub-band signals of each EEG channel. The singular value decomposition is applied to the multivariate matrices of multichannel EEG at significant scales. The singular value features at significant scales and the extreme learning machine classifier with three different activation functions are used for classification of multichannel EEG signal. The experimental results demonstrate that, for ANC with noise and ANC with noise and music classes, the proposed method has sensitivity values of 75.831% ( p < 0.001 ) and 99.31% ( p < 0.001 ), respectively. The method has an accuracy value of 83.22% for the classification of EEG signal with music and ANC with music as stimuli. The important finding of this study is that by the introduction of ANC, music can be better perceived by the human brain.

Supergranulation and multiscale flows in the solar photosphere. Global observations vs. a theory of anisotropic turbulent convection

NASA Astrophysics Data System (ADS)

Rincon, F.; Roudier, T.; Schekochihin, A. A.; Rieutord, M.

2017-03-01

The Sun provides us with the only spatially well-resolved astrophysical example of turbulent thermal convection. While various aspects of solar photospheric turbulence, such as granulation (one-Megameter horizontal scale), are well understood, the questions of the physical origin and dynamical organization of larger-scale flows, such as the 30-Megameters supergranulation and flows deep in the solar convection zone, remain largely open in spite of their importance for solar dynamics and magnetism. Here, we present a new critical global observational characterization of multiscale photospheric flows and subsequently formulate an anisotropic extension of the Bolgiano-Obukhov theory of hydrodynamic stratified turbulence that may explain several of their distinctive dynamical properties. Our combined analysis suggests that photospheric flows in the horizontal range of scales between supergranulation and granulation have a typical vertical correlation scale of 2.5 to 4 Megameters and operate in a strongly anisotropic, self-similar, nonlinear, buoyant dynamical regime. While the theory remains speculative at this stage, it lends itself to quantitative comparisons with future high-resolution acoustic tomography of subsurface layers and advanced numerical models. Such a validation exercise may also lead to new insights into the asymptotic dynamical regimes in which other, unresolved turbulent anisotropic astrophysical fluid systems supporting waves or instabilities operate.

Experimental parameter identification of a multi-scale musculoskeletal model controlled by electrical stimulation: application to patients with spinal cord injury.

PubMed

Benoussaad, Mourad; Poignet, Philippe; Hayashibe, Mitsuhiro; Azevedo-Coste, Christine; Fattal, Charles; Guiraud, David

2013-06-01

We investigated the parameter identification of a multi-scale physiological model of skeletal muscle, based on Huxley's formulation. We focused particularly on the knee joint controlled by quadriceps muscles under electrical stimulation (ES) in subjects with a complete spinal cord injury. A noninvasive and in vivo identification protocol was thus applied through surface stimulation in nine subjects and through neural stimulation in one ES-implanted subject. The identification protocol included initial identification steps, which are adaptations of existing identification techniques to estimate most of the parameters of our model. Then we applied an original and safer identification protocol in dynamic conditions, which required resolution of a nonlinear programming (NLP) problem to identify the serial element stiffness of quadriceps. Each identification step and cross validation of the estimated model in dynamic condition were evaluated through a quadratic error criterion. The results highlighted good accuracy, the efficiency of the identification protocol and the ability of the estimated model to predict the subject-specific behavior of the musculoskeletal system. From the comparison of parameter values between subjects, we discussed and explored the inter-subject variability of parameters in order to select parameters that have to be identified in each patient.

A generalized reaction diffusion model for spatial structure formed by motile cells.

PubMed

Ochoa, F L

1984-01-01

A non-linear stability analysis using a multi-scale perturbation procedure is carried out on a model of a generalized reaction diffusion mechanism which involves only a single equation but which nevertheless exhibits bifurcation to non-uniform states. The patterns generated by this model by variation in a parameter related to the scalar dimensions of domain of definition, indicate its capacity to represent certain key morphogenetic features of multicellular systems formed by motile cells.

Isogeometric Divergence-conforming B-splines for the Unsteady Navier-Stokes Equations

DTIC Science & Technology

2012-04-01

space and S a positive real number, we define Lq(0, S;X) as the space consisting of all strongly measurable functions φ : (0, S)→ X with ‖φ...Introduction The unsteady incompressible Navier-Stokes equations are infused with vast geometric structure, evidenced by a wide array of balance laws for...analy- sis in conjunction with a Variational Multiscale (VMS) methodology. In these papers, it was found that the increased continuity of

The Total Variation Regularized L1 Model for Multiscale Decomposition

DTIC Science & Technology

2006-01-01

L1 fidelity term, and presented impressive and successful applications of the TV-L1 model to impulsive noise removal and outlier identification. She...used to filter 1D signal [3], to remove impulsive (salt-n- pepper) noise [35], to extract textures from natural images [45], to remove varying...34, 35, 36] discovery of the usefulness of this model for removing impul- sive noise , Chan and Esedoglu’s [17] further analysis of this model, and a

Fine Aerosol Associated Non-Polar Organics in Jammu, AN Urban Location in the Foothill Region of North Western Himalayas

NASA Astrophysics Data System (ADS)

Yadav, S.; Bamotra, S.

2017-12-01

A comprehensive study was done on the mass, composition and sources of fine aerosol associated non-polar organics in Jammu, an urban location in the foothill region of North - Western Himalayas. Systematic multi-scale sampling was done from October, 2015 to February, 2017 to collect fine aerosol (PM2.5) samples every week using a Fine Particulate Sampler (Envirotech, APM 550 MFC) which operates at a constant flow rate of 16.7 L/minute. The Non- polar organic compounds comprising of n-alkanes, PAHs, isoprenoid hydrocarbons and nicotine were analyzed using Thermal desorption Gas Chromatography Mass Spectrometry (TD-GC-MS) method. The n-alkane associated diagnostic parameters include—mass weighted Averaged Chain Length (ACL); Carbon number with maximum concentration (Cmax); Petroleum derived n-alkanes (PNA%), Carbon Preference Index (CPI) and the percentage contribution of Wax n-alkanes from plants (WNA%). These diagnostic parameters along with PAH based molecular ratios were used to understand the diurnal and seasonal variations in different biogenic and petrogenic source contributions in this part of Himalayas. The presence of source specific tracers like Levoglucosan, Retene, Isoquinoline and nicotine also corroborated our findings. Further Fine aerosols associated Black Carbon, an important marker for burning was determined using Optical Transmissometer. Significant multiscale variations were found in the Fine aerosol load, associated Non-polar organics, source tracers/contributions and Black Carbon.

Causality and correlations between BSE and NYSE indexes: A Janus faced relationship

NASA Astrophysics Data System (ADS)

Neeraj; Panigrahi, Prasanta K.

2017-09-01

We study the multi-scale temporal correlations and causality connections between the New York Stock Exchange (NYSE) and Bombay Stock Exchange (BSE) monthly average closing price indexes for a period of 300 months, encompassing the time period of the liberalisation of the Indian economy and its gradual global exposure. In multi-scale analysis; clearly identifiable 1, 2 and 3 year non-stationary periodic modulations in NYSE and BSE have been observed, with NYSE commensurating changes in BSE at 3 years scale. Interestingly, at one year time scale, the two exchanges are phase locked only during the turbulent times, while at the scale of three year, in-phase nature is observed for a much longer time frame. The two year time period, having characteristics of both one and three year variations, acts as the transition regime. The normalised NYSE's stock value is found to Granger cause those of BSE, with a time lag of 9 months. Surprisingly, observed Granger causality of high frequency variations reveals BSE behaviour getting reflected in the NYSE index fluctuations, after a smaller time lag. This Janus faced relationship, shows that smaller stock exchanges may provide a natural setting for simulating market fluctuations of much bigger exchanges. This possibly arises due to the fact that high frequency fluctuations form an universal part of the financial time series, and are expected to exhibit similar characteristics in open market economies.

Formulation development and optimization: Encapsulated system of Atenolol and Glyburide.

PubMed

Maboos, Madiha; Yousuf, Rabia Ismail; Shoaib, Muhammad Harris

2016-03-01

Objective of this study is to develop; tablet-in-a capsule system, to deliver Atenolol 25mg and Glyburide 5mg in the hard gelatin capsule. In order to improve patient compliance and reduce problems associated with complex therapeutic regimen Atenolol (cardio-selective beta-blocker) and Glyburide (anti-diabetic; sulfonylurea) are commonly, prescribed to the diabetic hypertensive patient. Metgod: In present work six different formulations of Atenolol (AF1-AF6) and Glyburide (GF1-GF6) were prepared by direct compression method using Avicel, Lactose DC, Crospovidone and Magnesium Stearate in different proportions and encapsulated in hard gelatin shells. Post compression parameters i.e. weight variation, diameter variation, thickness variation, hardness variation, % friability, disintegration, % drug release were determined at different pH 1.2, 4.5 and 6.8, and subjected to dissolution profile comparison through similarity factor (ƒ2). Stability studies were performed and shelf lives were calculated by R-Gui Stab R console 2.15.2 and determined to be 15 and 27 months for Atenolol and Glyburide respectively. The percentage drug contents of Atenolol and Glyburide were estimated spectrophotometerically at 286 nm and 314.7 nm respectively. Formulations CF1-CF6 (encapsulated) were subjected to weight variation, disintegration and dissolution tests and subjected to model dependant analysis for dissolution studies. The simultaneous quantitation of Atenolol and Glyburide for content assay was done by HPLC method of analysis. formulation CF6 is showing highest coefficient of correlation values for all models applied. So we can conclude that the proposed system can improve patient compliance by increasing the ease of administration of two drugs together.

Resiliency of the Multiscale Retinex Image Enhancement Algorithm

NASA Technical Reports Server (NTRS)

Rahman, Zia-Ur; Jobson, Daniel J.; Woodell, Glenn A.

1998-01-01

The multiscale retinex with color restoration (MSRCR) continues to prove itself in extensive testing to be very versatile automatic image enhancement algorithm that simultaneously provides dynamic range compression, color constancy, and color rendition, However, issues remain with regard to the resiliency of the MSRCR to different image sources and arbitrary image manipulations which may have been applied prior to retinex processing. In this paper we define these areas of concern, provide experimental results, and, examine the effects of commonly occurring image manipulation on retinex performance. In virtually all cases the MSRCR is highly resilient to the effects of both the image source variations and commonly encountered prior image-processing. Significant artifacts are primarily observed for the case of selective color channel clipping in large dark zones in a image. These issues are of concerning the processing of digital image archives and other applications where there is neither control over the image acquisition process, nor knowledge about any processing done on th data beforehand.

Magnetospheric Multiscale Observations of Magnetic Reconnection Associated with Kelvin-Helmholtz Waves

NASA Technical Reports Server (NTRS)

Eriksson, S.; Lavraud, B.; Wilder, F. D.; Stawarz, J. E.; Giles, B. L.; Burch, J. L.; Baumjohann, W.; Ergun, R. E.; Lindqvist, P.-A.; Magnes, W.;

Modeling of grain size strengthening in tantalum at high pressures and strain rates

DOE PAGES

Rudd, Robert E.; Park, H. -S.; Cavallo, R. M.; ...

2017-01-01

Laser-driven ramp wave compression experiments have been used to investigate the strength (flow stress) of tantalum and other metals at high pressures and high strain rates. Recently this kind of experiment has been used to assess the dependence of the strength on the average grain size of the material, finding no detectable variation with grain size. The insensitivity to grain size has been understood theoretically to result from the dominant effect of the high dislocation density generated at the extremely high strain rates of the experiment. Here we review the experiments and describe in detail the multiscale strength model usedmore » to simulate them. The multiscale strength model has been extended to include the effect of geometrically necessary dislocations generated at the grain boundaries during compatible plastic flow in the polycrystalline metal. Lastly, we use the extended model to make predictions of the threshold strain rates and grain sizes below which grain size strengthening would be observed in the laser-driven Rayleigh-Taylor experiments.« less

Scalable implicit incompressible resistive MHD with stabilized FE and fully-coupled Newton–Krylov-AMG

DOE PAGES

Shadid, J. N.; Pawlowski, R. P.; Cyr, E. C.; ...

2016-02-10

Here, we discuss that the computational solution of the governing balance equations for mass, momentum, heat transfer and magnetic induction for resistive magnetohydrodynamics (MHD) systems can be extremely challenging. These difficulties arise from both the strong nonlinear, nonsymmetric coupling of fluid and electromagnetic phenomena, as well as the significant range of time- and length-scales that the interactions of these physical mechanisms produce. This paper explores the development of a scalable, fully-implicit stabilized unstructured finite element (FE) capability for 3D incompressible resistive MHD. The discussion considers the development of a stabilized FE formulation in context of the variational multiscale (VMS) method,more » and describes the scalable implicit time integration and direct-to-steady-state solution capability. The nonlinear solver strategy employs Newton–Krylov methods, which are preconditioned using fully-coupled algebraic multilevel preconditioners. These preconditioners are shown to enable a robust, scalable and efficient solution approach for the large-scale sparse linear systems generated by the Newton linearization. Verification results demonstrate the expected order-of-accuracy for the stabilized FE discretization. The approach is tested on a variety of prototype problems, that include MHD duct flows, an unstable hydromagnetic Kelvin–Helmholtz shear layer, and a 3D island coalescence problem used to model magnetic reconnection. Initial results that explore the scaling of the solution methods are also presented on up to 128K processors for problems with up to 1.8B unknowns on a CrayXK7.« less

Fast Compressive Tracking.

PubMed

Zhang, Kaihua; Zhang, Lei; Yang, Ming-Hsuan

2014-10-01

It is a challenging task to develop effective and efficient appearance models for robust object tracking due to factors such as pose variation, illumination change, occlusion, and motion blur. Existing online tracking algorithms often update models with samples from observations in recent frames. Despite much success has been demonstrated, numerous issues remain to be addressed. First, while these adaptive appearance models are data-dependent, there does not exist sufficient amount of data for online algorithms to learn at the outset. Second, online tracking algorithms often encounter the drift problems. As a result of self-taught learning, misaligned samples are likely to be added and degrade the appearance models. In this paper, we propose a simple yet effective and efficient tracking algorithm with an appearance model based on features extracted from a multiscale image feature space with data-independent basis. The proposed appearance model employs non-adaptive random projections that preserve the structure of the image feature space of objects. A very sparse measurement matrix is constructed to efficiently extract the features for the appearance model. We compress sample images of the foreground target and the background using the same sparse measurement matrix. The tracking task is formulated as a binary classification via a naive Bayes classifier with online update in the compressed domain. A coarse-to-fine search strategy is adopted to further reduce the computational complexity in the detection procedure. The proposed compressive tracking algorithm runs in real-time and performs favorably against state-of-the-art methods on challenging sequences in terms of efficiency, accuracy and robustness.

Constrained Deep Weak Supervision for Histopathology Image Segmentation.

PubMed

Jia, Zhipeng; Huang, Xingyi; Chang, Eric I-Chao; Xu, Yan

2017-11-01

In this paper, we develop a new weakly supervised learning algorithm to learn to segment cancerous regions in histopathology images. This paper is under a multiple instance learning (MIL) framework with a new formulation, deep weak supervision (DWS); we also propose an effective way to introduce constraints to our neural networks to assist the learning process. The contributions of our algorithm are threefold: 1) we build an end-to-end learning system that segments cancerous regions with fully convolutional networks (FCNs) in which image-to-image weakly-supervised learning is performed; 2) we develop a DWS formulation to exploit multi-scale learning under weak supervision within FCNs; and 3) constraints about positive instances are introduced in our approach to effectively explore additional weakly supervised information that is easy to obtain and enjoy a significant boost to the learning process. The proposed algorithm, abbreviated as DWS-MIL, is easy to implement and can be trained efficiently. Our system demonstrates the state-of-the-art results on large-scale histopathology image data sets and can be applied to various applications in medical imaging beyond histopathology images, such as MRI, CT, and ultrasound images.

Theoretical modeling of PEB procedure on EUV resist using FDM formulation

NASA Astrophysics Data System (ADS)

Kim, Muyoung; Moon, Junghwan; Choi, Joonmyung; Lee, Byunghoon; Jeong, Changyoung; Kim, Heebom; Cho, Maenghyo

2018-03-01

Semiconductor manufacturing industry has reduced the size of wafer for enhanced productivity and performance, and Extreme Ultraviolet (EUV) light source is considered as a promising solution for downsizing. A series of EUV lithography procedures contain complex photo-chemical reaction on photoresist, and it causes technical difficulties on constructing theoretical framework which facilitates rigorous investigation of underlying mechanism. Thus, we formulated finite difference method (FDM) model of post exposure bake (PEB) process on positive chemically amplified resist (CAR), and it involved acid diffusion coupled-deprotection reaction. The model is based on Fick's second law and first-order chemical reaction rate law for diffusion and deprotection, respectively. Two kinetic parameters, diffusion coefficient of acid and rate constant of deprotection, which were obtained by experiment and atomic scale simulation were applied to the model. As a result, we obtained time evolutional protecting ratio of each functional group in resist monomer which can be used to predict resulting polymer morphology after overall chemical reactions. This achievement will be the cornerstone of multiscale modeling which provides fundamental understanding on important factors for EUV performance and rational design of the next-generation photoresist.

Superpixel Cut for Figure-Ground Image Segmentation

NASA Astrophysics Data System (ADS)

Yang, Michael Ying; Rosenhahn, Bodo

2016-06-01

Figure-ground image segmentation has been a challenging problem in computer vision. Apart from the difficulties in establishing an effective framework to divide the image pixels into meaningful groups, the notions of figure and ground often need to be properly defined by providing either user inputs or object models. In this paper, we propose a novel graph-based segmentation framework, called superpixel cut. The key idea is to formulate foreground segmentation as finding a subset of superpixels that partitions a graph over superpixels. The problem is formulated as Min-Cut. Therefore, we propose a novel cost function that simultaneously minimizes the inter-class similarity while maximizing the intra-class similarity. This cost function is optimized using parametric programming. After a small learning step, our approach is fully automatic and fully bottom-up, which requires no high-level knowledge such as shape priors and scene content. It recovers coherent components of images, providing a set of multiscale hypotheses for high-level reasoning. We evaluate our proposed framework by comparing it to other generic figure-ground segmentation approaches. Our method achieves improved performance on state-of-the-art benchmark databases.

An analytical formulation of two‐dimensional groundwater dispersion induced by surficial recharge variability

USGS Publications Warehouse

Swain, Eric D.; Chin, David A.

2003-01-01

A predominant cause of dispersion in groundwater is advective mixing due to variability in seepage rates. Hydraulic conductivity variations have been extensively researched as a cause of this seepage variability. In this paper the effect of variations in surface recharge to a shallow surficial aquifer is investigated as an important additional effect. An analytical formulation has been developed that relates aquifer parameters and the statistics of recharge variability to increases in the dispersivity. This is accomplished by solving Fourier transforms of the small perturbation forms of the groundwater flow equations. Two field studies are presented in this paper to determine the statistics of recharge variability for input to the analytical formulation. A time series of water levels at a continuous groundwater recorder is used to investigate the temporal statistics of hydraulic head caused by recharge, and a series of infiltrometer measurements are used to define the spatial variability in the recharge parameters. With these field statistics representing head fluctuations due to recharge, the analytical formulation can be used to compute the dispersivity without an explicit representation of the recharge boundary. Results from a series of numerical experiments are used to define the limits of this analytical formulation and to provide some comparison. A sophisticated model has been developed using a particle‐tracking algorithm (modified to account for temporal variations) to estimate groundwater dispersion. Dispersivity increases of 9 percent are indicated by the analytical formulation for the aquifer at the field site. A comparison with numerical model results indicates that the analytical results are reasonable for shallow surficial aquifers in which two‐dimensional flow can be assumed.

The effects of ground hydrology on climate sensitivity to solar constant variations

NASA Technical Reports Server (NTRS)

Chou, S. H.; Curran, R. J.; Ohring, G.

1979-01-01

The effects of two different evaporation parameterizations on the climate sensitivity to solar constant variations are investigated by using a zonally averaged climate model. The model is based on a two-level quasi-geostrophic zonally averaged annual mean model. One of the evaporation parameterizations tested is a nonlinear formulation with the Bowen ratio determined by the predicted vertical temperature and humidity gradients near the earth's surface. The other is the linear formulation with the Bowen ratio essentially determined by the prescribed linear coefficient.

A Look Behind the Salt Curve: An Examination of Thickening Mechanisms in Shampoo Formulations

NASA Astrophysics Data System (ADS)

Penfield, Kevin

2008-07-01

Dynamic oscillatory rheological measurements are used to examine two mechanisms for thickening simple shampoo formulations. The salt curve, in which viscosity of a surfactant solution is maximized at intermediate levels of salt, is shown to be due to the variation in relaxation time; this is found to correlate with variation in the degree of entanglement per micelle. This is contrasted with the effect of PEG-150 distearate, which alters viscosity through a change in modulus.

A Variational Formulation of Macro-Particle Algorithms for Kinetic Plasma Simulations

NASA Astrophysics Data System (ADS)

Shadwick, B. A.

2013-10-01

Macro-particle based simulations methods are in widespread use in plasma physics; their computational efficiency and intuitive nature are largely responsible for their longevity. In the main, these algorithms are formulated by approximating the continuous equations of motion. For systems governed by a variational principle (such as collisionless plasmas), approximations of the equations of motion is known to introduce anomalous behavior, especially in system invariants. We present a variational formulation of particle algorithms for plasma simulation based on a reduction of the distribution function onto a finite collection of macro-particles. As in the usual Particle-In-Cell (PIC) formulation, these macro-particles have a definite momentum and are spatially extended. The primary advantage of this approach is the preservation of the link between symmetries and conservation laws. For example, nothing in the reduction introduces explicit time dependence to the system and, therefore, the continuous-time equations of motion exactly conserve energy; thus, these models are free of grid-heating. In addition, the variational formulation allows for constructing models of arbitrary spatial and temporal order. In contrast, the overall accuracy of the usual PIC algorithm is at most second due to the nature of the force interpolation between the gridded field quantities and the (continuous) particle position. Again in contrast to the usual PIC algorithm, here the macro-particle shape is arbitrary; the spatial extent is completely decoupled from both the grid-size and the ``smoothness'' of the shape; smoother particle shapes are not necessarily larger. For simplicity, we restrict our discussion to one-dimensional, non-relativistic, un-magnetized, electrostatic plasmas. We comment on the extension to the electromagnetic case. Supported by the US DoE under contract numbers DE-FG02-08ER55000 and DE-SC0008382.

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

PubMed Central

Noid, W. G.; Liu, Pu; Wang, Yanting; Chu, Jhih-Wei; Ayton, Gary S.; Izvekov, Sergei; Andersen, Hans C.; Voth, Gregory A.

2008-01-01

The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005);J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to determine an interaction potential for a CG model from simulations of an atomically detailed model of the same system. The companion paper proved that, if no restrictions regarding the form of the CG interaction potential are introduced and if the equilibrium distribution of the atomistic model has been adequately sampled, then the MS-CG variational principle determines the exact many-body potential of mean force (PMF) governing the equilibrium distribution of CG sites generated by the atomistic model. In practice, though, CG force fields are not completely flexible, but only include particular types of interactions between CG sites, e.g., nonbonded forces between pairs of sites. If the CG force field depends linearly on the force field parameters, then the vector valued functions that relate the CG forces to these parameters determine a set of basis vectors that span a vector subspace of CG force fields. The companion paper introduced a distance metric for the vector space of CG force fields and proved that the MS-CG variational principle determines the CG force force field that is within that vector subspace and that is closest to the force field determined by the many-body PMF. The present paper applies the MS-CG variational principle for parametrizing molecular CG force fields and derives a linear least squares problem for the parameter set determining the optimal approximation to this many-body PMF. Linear systems of equations for these CG force field parameters are derived and analyzed in terms of equilibrium structural correlation functions. Numerical calculations for a one-site CG model of methanol and a molecular CG model of the EMIM+∕NO3− ionic liquid are provided to illustrate the method. PMID:18601325

A note on convergence of solutions of total variation regularized linear inverse problems

NASA Astrophysics Data System (ADS)

Iglesias, José A.; Mercier, Gwenael; Scherzer, Otmar

2018-05-01

In a recent paper by Chambolle et al (2017 Inverse Problems 33 015002) it was proven that if the subgradient of the total variation at the noise free data is not empty, the level-sets of the total variation denoised solutions converge to the level-sets of the noise free data with respect to the Hausdorff distance. The condition on the subgradient corresponds to the source condition introduced by Burger and Osher (2007 Multiscale Model. Simul. 6 365–95), who proved convergence rates results with respect to the Bregman distance under this condition. We generalize the result of Chambolle et al to total variation regularization of general linear inverse problems under such a source condition. As particular applications we present denoising in bounded and unbounded, convex and non convex domains, deblurring and inversion of the circular Radon transform. In all these examples the convergence result applies. Moreover, we illustrate the convergence behavior through numerical examples.

Multiscale Asymptotics for the Skeleton of the Madden-Julian Oscillation and Tropical-Extratropical Interactions (Open Access)

DTIC Science & Technology

2015-11-30

equatorial baroclinic dynamics, and (iii) the interactive effects of moisture and convection. More specifically, the model integrates the dry...interactions 5 Par. Derivation Dim. val. Description β 2.3× 10−11 m−1s−1 Variation of Coriolis parameter with latitude θ0 300 K Potential temperature...tropical Coriolis force, and x and y denote the zonal and meridional coordinates. Without the moisture q and convection envelope a, system (1) is the two

Multiscale Materials Modeling in an Industrial Environment.

PubMed

Weiß, Horst; Deglmann, Peter; In 't Veld, Pieter J; Cetinkaya, Murat; Schreiner, Eduard

2016-06-07

In this review, we sketch the materials modeling process in industry. We show that predictive and fast modeling is a prerequisite for successful participation in research and development processes in the chemical industry. Stable and highly automated workflows suitable for handling complex systems are a must. In particular, we review approaches to build and parameterize soft matter systems. By satisfying these prerequisites, efficiency for the development of new materials can be significantly improved, as exemplified here for formulation polymer development. This is in fact in line with recent Materials Genome Initiative efforts sponsored by the US government. Valuable contributions to product development are possible today by combining existing modeling techniques in an intelligent fashion, provided modeling and experiment work hand in hand.

Kalman Filter for Mass Property and Thrust Identification (MMS)

NASA Technical Reports Server (NTRS)

Queen, Steven

2015-01-01

The Magnetospheric Multiscale (MMS) mission consists of four identically instrumented, spin-stabilized observatories, elliptically orbiting the Earth in a tetrahedron formation. For the operational success of the mission, on-board systems must be able to deliver high-precision orbital adjustment maneuvers. On MMS, this is accomplished using feedback from on-board star sensors in tandem with accelerometers whose measurements are dynamically corrected for errors associated with a spinning platform. In order to determine the required corrections to the measured acceleration, precise estimates of attitude, rate, and mass-properties is necessary. To this end, both an on-board and ground-based Multiplicative Extended Kalman Filter (MEKF) were formulated and implemented in order to estimate the dynamic and quasi-static properties of the spacecraft.

Tetrahedron Formation Control

NASA Technical Reports Server (NTRS)

Petruzzo, Charles; Guzman, Jose

2004-01-01

This paper considers the preliminary development of a general optimization procedure for tetrahedron formation control. The maneuvers are assumed to be impulsive and a multi-stage optimization method is employed. The stages include (1) targeting to a fixed tetrahedron location and orientation, and (2) rotating and translating the tetrahedron. The number of impulsive maneuvers can also be varied. As the impulse locations and times change, new arcs are computed using a differential corrections scheme that varies the impulse magnitudes and directions. The result is a continuous trajectory with velocity discontinuities. The velocity discontinuities are then used to formulate the cost function. Direct optimization techniques are employed. The procedure is applied to the NASA Goddard Magnetospheric Multi-Scale (MMS) mission to compute preliminary formation control fuel requirements.

Multiscale Modelling and Analysis of Collective Decision Making in Swarm Robotics

PubMed Central

Vigelius, Matthias; Meyer, Bernd; Pascoe, Geoffrey

2014-01-01

We present a unified approach to describing certain types of collective decision making in swarm robotics that bridges from a microscopic individual-based description to aggregate properties. Our approach encompasses robot swarm experiments, microscopic and probabilistic macroscopic-discrete simulations as well as an analytic mathematical model. Following up on previous work, we identify the symmetry parameter, a measure of the progress of the swarm towards a decision, as a fundamental integrated swarm property and formulate its time evolution as a continuous-time Markov process. Contrary to previous work, which justified this approach only empirically and a posteriori, we justify it from first principles and derive hard limits on the parameter regime in which it is applicable. PMID:25369026

High-performance parallel analysis of coupled problems for aircraft propulsion

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Lanteri, S.; Gumaste, U.; Ronaghi, M.

1994-01-01

Applications are described of high-performance parallel, computation for the analysis of complete jet engines, considering its multi-discipline coupled problem. The coupled problem involves interaction of structures with gas dynamics, heat conduction and heat transfer in aircraft engines. The methodology issues addressed include: consistent discrete formulation of coupled problems with emphasis on coupling phenomena; effect of partitioning strategies, augmentation and temporal solution procedures; sensitivity of response to problem parameters; and methods for interfacing multiscale discretizations in different single fields. The computer implementation issues addressed include: parallel treatment of coupled systems; domain decomposition and mesh partitioning strategies; data representation in object-oriented form and mapping to hardware driven representation, and tradeoff studies between partitioning schemes and fully coupled treatment.

Multiscale real-space quantum-mechanical tight-binding calculations of electronic structure in crystals with defects using perfectly matched layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pourmatin, Hossein, E-mail: mpourmat@andrew.cmu.edu; Dayal, Kaushik, E-mail: kaushik@cmu.edu

2016-10-15

Graphical abstract: - Abstract: We consider the scattering of incident plane-wave electrons from a defect in a crystal modeled by the time-harmonic Schrödinger equation. While the defect potential is localized, the far-field potential is periodic, unlike standard free-space scattering problems. Previous work on the Schrödinger equation has been almost entirely in free-space conditions; a few works on crystals have been in one-dimension. We construct absorbing boundary conditions for this problem using perfectly matched layers in a tight-binding formulation. Using the example of a point defect in graphene, we examine the efficiency and convergence of the proposed absorbing boundary condition.

An Investigation of Hall Currents Associated with Tripolar Magnetic Fields During Magnetospheric Kelvin Helmholtz Waves

NASA Astrophysics Data System (ADS)

Sturner, A. P.; Eriksson, S.; Newman, D. L.; Lapenta, G.; Gershman, D. J.; Plaschke, F.; Ergun, R.; Wilder, F. D.; Torbert, R. B.; Giles, B. L.; Strangeway, R. J.; Russell, C. T.; Burch, J. L.

2016-12-01

Kinetic simulations and observations of magnetic reconnection suggest the Hall term of Ohm's Law is necessary for understanding fast reconnection in the Earth's magnetosphere. During high (>1) guide field plasma conditions in the solar wind and in Earth's magnetopause, tripolar variations in the guide magnetic field are often observed during current sheet crossings, and have been linked to reconnection Hall magnetic fields. Two proposed mechanisms for these tripolar variations are the presence of multiple nearby X-lines and magnetic island coalescence. We present results of an investigation into the structure of the electron currents supporting tripolar guide magnetic field variations during Kelvin-Helmholtz wave current sheet crossings using the Magnetosphere Multiscale (MMS) Mission, and compare with bipolar magnetic field structures and with kinetic simulations to understand how these tripolar structures may be used as tracers for magnetic islands.

A visual tracking method based on deep learning without online model updating

NASA Astrophysics Data System (ADS)

Tang, Cong; Wang, Yicheng; Feng, Yunsong; Zheng, Chao; Jin, Wei

2018-02-01

The paper proposes a visual tracking method based on deep learning without online model updating. In consideration of the advantages of deep learning in feature representation, deep model SSD (Single Shot Multibox Detector) is used as the object extractor in the tracking model. Simultaneously, the color histogram feature and HOG (Histogram of Oriented Gradient) feature are combined to select the tracking object. In the process of tracking, multi-scale object searching map is built to improve the detection performance of deep detection model and the tracking efficiency. In the experiment of eight respective tracking video sequences in the baseline dataset, compared with six state-of-the-art methods, the method in the paper has better robustness in the tracking challenging factors, such as deformation, scale variation, rotation variation, illumination variation, and background clutters, moreover, its general performance is better than other six tracking methods.

Multiscale Modeling in Computational Biomechanics: Determining Computational Priorities and Addressing Current Challenges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tawhai, Merryn; Bischoff, Jeff; Einstein, Daniel R.

2009-05-01

Abstract In this article, we describe some current multiscale modeling issues in computational biomechanics from the perspective of the musculoskeletal and respiratory systems and mechanotransduction. First, we outline the necessity of multiscale simulations in these biological systems. Then we summarize challenges inherent to multiscale biomechanics modeling, regardless of the subdiscipline, followed by computational challenges that are system-specific. We discuss some of the current tools that have been utilized to aid research in multiscale mechanics simulations, and the priorities to further the field of multiscale biomechanics computation.

Multiscale multiphysics and multidomain models—Flexibility and rigidity

PubMed Central

Xia, Kelin; Opron, Kristopher; Wei, Guo-Wei

2013-01-01

The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomic charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of \\documentclass[12pt]{minimal}\\begin{document}${\\cal O}(N^2)$\\end{document}O(N2) at most, where N is the number of atoms or residues, in contrast to \\documentclass[12pt]{minimal}\\begin{document}${\\cal O}(N^3)$\\end{document}O(N3) for Hamiltonian based methods. We demonstrate that the proposed FRI gives rise to accurate prediction of protein B-Factor for a set of 263 proteins. We show that a parameter free FRI is able to achieve about 95% accuracy of the parameter optimized FRI. An interpolation algorithm is developed to construct continuous atomic flexibility functions for visualization and use with CEWAR. PMID:24320318

Multiscale multiphysics and multidomain models—Flexibility and rigidity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xia, Kelin; Opron, Kristopher; Wei, Guo-Wei, E-mail: wei@math.msu.edu

The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomicmore » charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of O(N{sup 2}) at most, where N is the number of atoms or residues, in contrast to O(N{sup 3}) for Hamiltonian based methods. We demonstrate that the proposed FRI gives rise to accurate prediction of protein B-Factor for a set of 263 proteins. We show that a parameter free FRI is able to achieve about 95% accuracy of the parameter optimized FRI. An interpolation algorithm is developed to construct continuous atomic flexibility functions for visualization and use with CEWAR.« less

Nonlocal variational model and filter algorithm to remove multiplicative noise

NASA Astrophysics Data System (ADS)

Chen, Dai-Qiang; Zhang, Hui; Cheng, Li-Zhi

2010-07-01

The nonlocal (NL) means filter proposed by Buades, Coll, and Morel (SIAM Multiscale Model. Simul. 4(2), 490-530, 2005), which makes full use of the redundancy information in images, has shown to be very efficient for image denoising with Gauss noise added. On the basis of the NL method and a striver to minimize the conditional mean-square error, we design a NL means filter to remove multiplicative noise, and combining the NL filter to regularity method, we propose a NL total variational (TV) model and present a fast iterated algorithm for it. Experiments demonstrate that our algorithm is better than TV method; it is superior in preserving small structures and textures and can obtain an improvement in peak signal-to-noise ratio.

The Logarithmic Tail of Néel Walls

NASA Astrophysics Data System (ADS)

Melcher, Christof

We study the multiscale problem of a parametrized planar 180° rotation of magnetization states in a thin ferromagnetic film. In an appropriate scaling and when the film thickness is comparable to the Bloch line width, the underlying variational principle has the form where the reduced stray-field operator Q approximates (-Δ)1/2 as the quality factor Q tends to zero. We show that the associated Néel wall profile u exhibits a very long logarithmic tail. The proof relies on limiting elliptic regularity methods on the basis of the associated Euler-Lagrange equation and symmetrization arguments on the basis of the variational principle. Finally we study the renormalized limit behavior as Q tends to zero.

Individual-specific multi-scale finite element simulation of cortical bone of human proximal femur

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ascenzi, Maria-Grazia, E-mail: mgascenzi@mednet.ucla.edu; Kawas, Neal P., E-mail: nealkawas@ucla.edu; Lutz, Andre, E-mail: andre.lutz@hotmail.de

2013-07-01

We present an innovative method to perform multi-scale finite element analyses of the cortical component of the femur using the individual’s (1) computed tomography scan; and (2) a bone specimen obtained in conjunction with orthopedic surgery. The method enables study of micro-structural characteristics regulating strains and stresses under physiological loading conditions. The analysis of the micro-structural scenarios that cause variation of strain and stress is the first step in understanding the elevated strains and stresses in bone tissue, which are indicative of higher likelihood of micro-crack formation in bone, implicated in consequent remodeling or macroscopic bone fracture. Evidence that micro-structuremore » varies with clinical history and contributes in significant, but poorly understood, ways to bone function, motivates the method’s development, as does need for software tools to investigate relationships between macroscopic loading and micro-structure. Three applications – varying region of interest, bone mineral density, and orientation of collagen type I, illustrate the method. We show, in comparison between physiological loading and simple compression of a patient’s femur, that strains computed at the multi-scale model’s micro-level: (i) differ; and (ii) depend on local collagen-apatite orientation and degree of calcification. Our findings confirm the strain concentration role of osteocyte lacunae, important for mechano-transduction. We hypothesize occurrence of micro-crack formation, leading either to remodeling or macroscopic fracture, when the computed strains exceed the elastic range observed in micro-structural testing.« less

Multi-scale Finite Element Modeling of Eustachian Tube Function: Influence of Mucosal Adhesion

PubMed Central

Malik, J.E.; Swarts, J.D.; Ghadiali, S. N.

2017-01-01

The inability to open the collapsible Eustachian tube (ET) leads to the development of chronic Otitis Media (OM). Although mucosal inflammation during OM leads to increased mucin gene expression and elevated adhesion forces within the ET lumen, it is not known how changes in mucosal adhesion alter the biomechanical mechanisms of ET function. In this study, we developed a novel multi-scale finite element model of ET function in adults that utilizes adhesion spring elements to simulate changes in mucosal adhesion. Models were created for six adult subjects and dynamic patterns in muscle contraction were used to simulate the wave-like opening of the ET that occurs during swallowing. Results indicate that ET opening is highly sensitive to the level of mucosal adhesion and that exceeding a critical value of adhesion leads to rapid ET dysfunction. Parameter variation studies and sensitivity analysis indicate that increased mucosal adhesion alters the relative importance of several tissue biomechanical properties. For example, increases in mucosal adhesion reduced the sensitivity of ET function to tensor veli palatini muscle forces but did not alter the insensitivity of ET function to levator veli palatini muscle forces. Interestingly, although changes in cartilage stiffness did not significantly influence ET opening under low adhesion conditions, ET opening was highly sensitive to changes in cartilage stiffness under high adhesion conditions. Therefore, our multi-scale computational models indicate that changes in mucosal adhesion as would occur during inflammatory OM alter the biomechanical mechanisms of ET function. PMID:26891171

Impact of model complexity and multi-scale data integration on the estimation of hydrogeological parameters in a dual-porosity aquifer

NASA Astrophysics Data System (ADS)

Tamayo-Mas, Elena; Bianchi, Marco; Mansour, Majdi

2018-03-01

This study investigates the impact of model complexity and multi-scale prior hydrogeological data on the interpretation of pumping test data in a dual-porosity aquifer (the Chalk aquifer in England, UK). In order to characterize the hydrogeological properties, different approaches ranging from a traditional analytical solution (Theis approach) to more sophisticated numerical models with automatically calibrated input parameters are applied. Comparisons of results from the different approaches show that neither traditional analytical solutions nor a numerical model assuming a homogenous and isotropic aquifer can adequately explain the observed drawdowns. A better reproduction of the observed drawdowns in all seven monitoring locations is instead achieved when medium and local-scale prior information about the vertical hydraulic conductivity (K) distribution is used to constrain the model calibration process. In particular, the integration of medium-scale vertical K variations based on flowmeter measurements lead to an improvement in the goodness-of-fit of the simulated drawdowns of about 30%. Further improvements (up to 70%) were observed when a simple upscaling approach was used to integrate small-scale K data to constrain the automatic calibration process of the numerical model. Although the analysis focuses on a specific case study, these results provide insights about the representativeness of the estimates of hydrogeological properties based on different interpretations of pumping test data, and promote the integration of multi-scale data for the characterization of heterogeneous aquifers in complex hydrogeological settings.

Community Multiscale Air Quality Model

EPA Science Inventory

The U.S. EPA developed the Community Multiscale Air Quality (CMAQ) system to apply a “one atmosphere” multiscale and multi-pollutant modeling approach based mainly on the “first principles” description of the atmosphere. The multiscale capability is supported by the governing di...

Assessing multiscale complexity of short heart rate variability series through a model-based linear approach

NASA Astrophysics Data System (ADS)

Porta, Alberto; Bari, Vlasta; Ranuzzi, Giovanni; De Maria, Beatrice; Baselli, Giuseppe

2017-09-01

We propose a multiscale complexity (MSC) method assessing irregularity in assigned frequency bands and being appropriate for analyzing the short time series. It is grounded on the identification of the coefficients of an autoregressive model, on the computation of the mean position of the poles generating the components of the power spectral density in an assigned frequency band, and on the assessment of its distance from the unit circle in the complex plane. The MSC method was tested on simulations and applied to the short heart period (HP) variability series recorded during graded head-up tilt in 17 subjects (age from 21 to 54 years, median = 28 years, 7 females) and during paced breathing protocols in 19 subjects (age from 27 to 35 years, median = 31 years, 11 females) to assess the contribution of time scales typical of the cardiac autonomic control, namely in low frequency (LF, from 0.04 to 0.15 Hz) and high frequency (HF, from 0.15 to 0.5 Hz) bands to the complexity of the cardiac regulation. The proposed MSC technique was compared to a traditional model-free multiscale method grounded on information theory, i.e., multiscale entropy (MSE). The approach suggests that the reduction of HP variability complexity observed during graded head-up tilt is due to a regularization of the HP fluctuations in LF band via a possible intervention of sympathetic control and the decrement of HP variability complexity observed during slow breathing is the result of the regularization of the HP variations in both LF and HF bands, thus implying the action of physiological mechanisms working at time scales even different from that of respiration. MSE did not distinguish experimental conditions at time scales larger than 1. Over a short time series MSC allows a more insightful association between cardiac control complexity and physiological mechanisms modulating cardiac rhythm compared to a more traditional tool such as MSE.

Extension to linear dynamics for hybrid stress finite element formulation based on additional displacements

NASA Astrophysics Data System (ADS)

Sumihara, K.

Based upon legitimate variational principles, one microscopic-macroscopic finite element formulation for linear dynamics is presented by Hybrid Stress Finite Element Method. The microscopic application of Geometric Perturbation introduced by Pian and the introduction of infinitesimal limit core element (Baby Element) have been consistently combined according to the flexible and inherent interpretation of the legitimate variational principles initially originated by Pian and Tong. The conceptual development based upon Hybrid Finite Element Method is extended to linear dynamics with the introduction of physically meaningful higher modes.

Fragrance compounds and amphiphilic association structures.

PubMed

Friberg, S E

1998-05-01

Fragrance formulations have traditionally been based on alcohol as the solvent, but the recent legal restrictions on volatile organic solvents have prompted the industry to change to aqueous solubilized systems. The article reviews the fundamental factors in the application of such systems evaluating the influence by different amphiphilic association structures on the vapor pressure of fragrance compounds. This information is subsequently used to estimate the variation of fragrance compound vapor pressures during evaporation. The results reveal that the vapor pressure versus time variation is improved compared to solvent-based formulations.

Linear and nonlinear dynamic analysis by boundary element method. Ph.D. Thesis, 1986 Final Report

NASA Technical Reports Server (NTRS)

Ahmad, Shahid

1991-01-01

An advanced implementation of the direct boundary element method (BEM) applicable to free-vibration, periodic (steady-state) vibration and linear and nonlinear transient dynamic problems involving two and three-dimensional isotropic solids of arbitrary shape is presented. Interior, exterior, and half-space problems can all be solved by the present formulation. For the free-vibration analysis, a new real variable BEM formulation is presented which solves the free-vibration problem in the form of algebraic equations (formed from the static kernels) and needs only surface discretization. In the area of time-domain transient analysis, the BEM is well suited because it gives an implicit formulation. Although the integral formulations are elegant, because of the complexity of the formulation it has never been implemented in exact form. In the present work, linear and nonlinear time domain transient analysis for three-dimensional solids has been implemented in a general and complete manner. The formulation and implementation of the nonlinear, transient, dynamic analysis presented here is the first ever in the field of boundary element analysis. Almost all the existing formulation of BEM in dynamics use the constant variation of the variables in space and time which is very unrealistic for engineering problems and, in some cases, it leads to unacceptably inaccurate results. In the present work, linear and quadratic isoparametric boundary elements are used for discretization of geometry and functional variations in space. In addition, higher order variations in time are used. These methods of analysis are applicable to piecewise-homogeneous materials, such that not only problems of the layered media and the soil-structure interaction can be analyzed but also a large problem can be solved by the usual sub-structuring technique. The analyses have been incorporated in a versatile, general-purpose computer program. Some numerical problems are solved and, through comparisons with available analytical and numerical results, the stability and high accuracy of these dynamic analysis techniques are established.

Development of Semantic Description for Multiscale Models of Thermo-Mechanical Treatment of Metal Alloys

NASA Astrophysics Data System (ADS)

Macioł, Piotr; Regulski, Krzysztof

2016-08-01

We present a process of semantic meta-model development for data management in an adaptable multiscale modeling framework. The main problems in ontology design are discussed, and a solution achieved as a result of the research is presented. The main concepts concerning the application and data management background for multiscale modeling were derived from the AM3 approach—object-oriented Agile multiscale modeling methodology. The ontological description of multiscale models enables validation of semantic correctness of data interchange between submodels. We also present a possibility of using the ontological model as a supervisor in conjunction with a multiscale model controller and a knowledge base system. Multiscale modeling formal ontology (MMFO), designed for describing multiscale models' data and structures, is presented. A need for applying meta-ontology in the MMFO development process is discussed. Examples of MMFO application in describing thermo-mechanical treatment of metal alloys are discussed. Present and future applications of MMFO are described.

Comparison of Multiscale Method of Cells-Based Models for Predicting Elastic Properties of Filament Wound C/C-SiC

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Fassin, Marek; Bednarcyk, Brett A.; Reese, Stefanie; Simon, Jaan-Willem

2017-01-01

Three different multiscale models, based on the method of cells (generalized and high fidelity) micromechanics models were developed and used to predict the elastic properties of C/C-SiC composites. In particular, the following multiscale modeling strategies were employed: Concurrent multiscale modeling of all phases using the generalized method of cells, synergistic (two-way coupling in space) multiscale modeling with the generalized method of cells, and hierarchical (one-way coupling in space) multiscale modeling with the high fidelity generalized method of cells. The three models are validated against data from a hierarchical multiscale finite element model in the literature for a repeating unit cell of C/C-SiC. Furthermore, the multiscale models are used in conjunction with classical lamination theory to predict the stiffness of C/C-SiC plates manufactured via a wet filament winding and liquid silicon infiltration process recently developed by the German Aerospace Institute.

The diurnal cycle of clouds and precipitation at the ARM SGP site: Cloud radar observations and simulations from the multiscale modeling framework

DOE PAGES

Zhao, Wei; Marchand, Roger; Fu, Qiang

2017-07-08

Millimeter Wavelength Cloud Radar (MMCR) data from December 1996 to December 2010, collected at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) site, are used to examine the diurnal cycle of hydrometeor occurrence. These data are categorized into clouds (-40 dBZ e ≤ reflectivity < -10 dBZ e), drizzle and light precipitation (-10 dBZ e ≤ reflectivity < 10 dBZ e), and heavy precipitation (reflectivity ≥ 10 dBZ e). The same criteria are implemented for the observation-equivalent reflectivity calculated by feeding outputs from a Multiscale Modeling Framework (MMF) climate model into a radar simulator.more » The MMF model consists of the National Center for Atmospheric Research Community Atmosphere Model with conventional cloud parameterizations replaced by a cloud-resolving model. We find that a radar simulator combined with the simple reflectivity categories can be an effective approach for evaluating diurnal variations in model hydrometeor occurrence. It is shown that the MMF only marginally captures observed increases in the occurrence of boundary layer clouds after sunrise in spring and autumn and does not capture diurnal changes in boundary layer clouds during the summer. Above the boundary layer, the MMF captures reasonably well diurnal variations in the vertical structure of clouds and light and heavy precipitation in the summer but not in the spring.« less

A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism

PubMed Central

Bordbar, Aarash; Palsson, Bernhard O.

2016-01-01

Progress in systems medicine brings promise to addressing patient heterogeneity and individualized therapies. Recently, genome-scale models of metabolism have been shown to provide insight into the mechanistic link between drug therapies and systems-level off-target effects while being expanded to explicitly include the three-dimensional structure of proteins. The integration of these molecular-level details, such as the physical, structural, and dynamical properties of proteins, notably expands the computational description of biochemical network-level properties and the possibility of understanding and predicting whole cell phenotypes. In this study, we present a multi-scale modeling framework that describes biological processes which range in scale from atomistic details to an entire metabolic network. Using this approach, we can understand how genetic variation, which impacts the structure and reactivity of a protein, influences both native and drug-induced metabolic states. As a proof-of-concept, we study three enzymes (catechol-O-methyltransferase, glucose-6-phosphate dehydrogenase, and glyceraldehyde-3-phosphate dehydrogenase) and their respective genetic variants which have clinically relevant associations. Using all-atom molecular dynamic simulations enables the sampling of long timescale conformational dynamics of the proteins (and their mutant variants) in complex with their respective native metabolites or drug molecules. We find that changes in a protein’s structure due to a mutation influences protein binding affinity to metabolites and/or drug molecules, and inflicts large-scale changes in metabolism. PMID:27467583

A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism.

PubMed

Mih, Nathan; Brunk, Elizabeth; Bordbar, Aarash; Palsson, Bernhard O

2016-07-01

Progress in systems medicine brings promise to addressing patient heterogeneity and individualized therapies. Recently, genome-scale models of metabolism have been shown to provide insight into the mechanistic link between drug therapies and systems-level off-target effects while being expanded to explicitly include the three-dimensional structure of proteins. The integration of these molecular-level details, such as the physical, structural, and dynamical properties of proteins, notably expands the computational description of biochemical network-level properties and the possibility of understanding and predicting whole cell phenotypes. In this study, we present a multi-scale modeling framework that describes biological processes which range in scale from atomistic details to an entire metabolic network. Using this approach, we can understand how genetic variation, which impacts the structure and reactivity of a protein, influences both native and drug-induced metabolic states. As a proof-of-concept, we study three enzymes (catechol-O-methyltransferase, glucose-6-phosphate dehydrogenase, and glyceraldehyde-3-phosphate dehydrogenase) and their respective genetic variants which have clinically relevant associations. Using all-atom molecular dynamic simulations enables the sampling of long timescale conformational dynamics of the proteins (and their mutant variants) in complex with their respective native metabolites or drug molecules. We find that changes in a protein's structure due to a mutation influences protein binding affinity to metabolites and/or drug molecules, and inflicts large-scale changes in metabolism.

Multi-Scale and Object-Oriented Analysis for Mountain Terrain Segmentation and Geomorphological Assessment

NASA Astrophysics Data System (ADS)

Marston, B. K.; Bishop, M. P.; Shroder, J. F.

2009-12-01

Digital terrain analysis of mountain topography is widely utilized for mapping landforms, assessing the role of surface processes in landscape evolution, and estimating the spatial variation of erosion. Numerous geomorphometry techniques exist to characterize terrain surface parameters, although their utility to characterize the spatial hierarchical structure of the topography and permit an assessment of the erosion/tectonic impact on the landscape is very limited due to scale and data integration issues. To address this problem, we apply scale-dependent geomorphometric and object-oriented analyses to characterize the hierarchical spatial structure of mountain topography. Specifically, we utilized a high resolution digital elevation model to characterize complex topography in the Shimshal Valley in the Western Himalaya of Pakistan. To accomplish this, we generate terrain objects (geomorphological features and landform) including valley floors and walls, drainage basins, drainage network, ridge network, slope facets, and elemental forms based upon curvature. Object-oriented analysis was used to characterize object properties accounting for object size, shape, and morphometry. The spatial overlay and integration of terrain objects at various scales defines the nature of the hierarchical organization. Our results indicate that variations in the spatial complexity of the terrain hierarchical organization is related to the spatio-temporal influence of surface processes and landscape evolution dynamics. Terrain segmentation and the integration of multi-scale terrain information permits further assessment of process domains and erosion, tectonic impact potential, and natural hazard potential. We demonstrate this with landform mapping and geomorphological assessment examples.

Nanoparticle interaction potentials constructed by multiscale computation

NASA Astrophysics Data System (ADS)

Lee, Cheng K.; Hua, Chi C.

2010-06-01

The van der Waals (vdW) potentials governing macroscopic objects have long been formulated in the context of classical theories, such as Hamaker's microscopic theory and Lifshitz's continuum theory. This work addresses the possibility of constructing the vdW interaction potentials of nanoparticle species using multiscale simulation schemes. Amorphous silica nanoparticles were considered as a benchmark example for which a series of (SiO2)n (n being an integer) has been systematically surveyed as the potential candidates of the packing units that reproduce known bulk material properties in atomistic molecular dynamics simulations. This strategy led to the identification of spherical Si6O12 molecules, later utilized as the elementary coarse-grained (CG) particles to compute the pair interaction potentials of silica nanoparticles ranging from 0.62 to 100 nm in diameter. The model nanoparticles so built may, in turn, serve as the children CG particles to construct nanoparticles assuming arbitrary sizes and shapes. Major observations are as follows. The pair interaction potentials for all the investigated spherical silica nanoparticles can be cast into a semiempirical, generalized Lennard-Jones 2α-α potential (α being a size-dependent, large integral number). In its reduced form, we discuss the implied universalities for the vdW potentials governing a certain range of amorphous nanoparticle species as well as how thermodynamic transferability can be fulfilled automatically. In view of future applications with colloidal suspensions, we briefly evaluated the vdW potential in the presence of a "screening" medium mimicking the effects of electrical double layers or grafting materials atop the nanoparticle core. The general observations shed new light on strategies to attain a microscopic control over interparticle attractions. In future perspectives, the proposed multiscale computation scheme shall help bridge the current gap between the modeling of polymer chains and macroscopic objects by introducing molecular models coarse-grained at a similar level so that the interactions between these two can be treated in a consistent and faithful way.

A multiscale model on hospital infections coupling macro and micro dynamics

NASA Astrophysics Data System (ADS)

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.

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

NASA Technical Reports Server (NTRS)

Tessler, Alexander; Gherlone, Marco; Versino, Daniele; DiSciuva, Marco

2012-01-01

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C(sup 0)-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite element approximations thus provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Predicting electromyographic signals under realistic conditions using a multiscale chemo-electro-mechanical finite element model.

PubMed

Mordhorst, Mylena; Heidlauf, Thomas; Röhrle, Oliver

2015-04-06

This paper presents a novel multiscale finite element-based framework for modelling electromyographic (EMG) signals. The framework combines (i) a biophysical description of the excitation-contraction coupling at the half-sarcomere level, (ii) a model of the action potential (AP) propagation along muscle fibres, (iii) a continuum-mechanical formulation of force generation and deformation of the muscle, and (iv) a model for predicting the intramuscular and surface EMG. Owing to the biophysical description of the half-sarcomere, the model inherently accounts for physiological properties of skeletal muscle. To demonstrate this, the influence of membrane fatigue on the EMG signal during sustained contractions is investigated. During a stimulation period of 500 ms at 100 Hz, the predicted EMG amplitude decreases by 40% and the AP propagation velocity decreases by 15%. Further, the model can take into account contraction-induced deformations of the muscle. This is demonstrated by simulating fixed-length contractions of an idealized geometry and a model of the human tibialis anterior muscle (TA). The model of the TA furthermore demonstrates that the proposed finite element model is capable of simulating realistic geometries, complex fibre architectures, and can include different types of heterogeneities. In addition, the TA model accounts for a distributed innervation zone, different fibre types and appeals to motor unit discharge times that are based on a biophysical description of the α motor neurons.

Predicting electromyographic signals under realistic conditions using a multiscale chemo–electro–mechanical finite element model

PubMed Central

Mordhorst, Mylena; Heidlauf, Thomas; Röhrle, Oliver

2015-01-01

This paper presents a novel multiscale finite element-based framework for modelling electromyographic (EMG) signals. The framework combines (i) a biophysical description of the excitation–contraction coupling at the half-sarcomere level, (ii) a model of the action potential (AP) propagation along muscle fibres, (iii) a continuum-mechanical formulation of force generation and deformation of the muscle, and (iv) a model for predicting the intramuscular and surface EMG. Owing to the biophysical description of the half-sarcomere, the model inherently accounts for physiological properties of skeletal muscle. To demonstrate this, the influence of membrane fatigue on the EMG signal during sustained contractions is investigated. During a stimulation period of 500 ms at 100 Hz, the predicted EMG amplitude decreases by 40% and the AP propagation velocity decreases by 15%. Further, the model can take into account contraction-induced deformations of the muscle. This is demonstrated by simulating fixed-length contractions of an idealized geometry and a model of the human tibialis anterior muscle (TA). The model of the TA furthermore demonstrates that the proposed finite element model is capable of simulating realistic geometries, complex fibre architectures, and can include different types of heterogeneities. In addition, the TA model accounts for a distributed innervation zone, different fibre types and appeals to motor unit discharge times that are based on a biophysical description of the α motor neurons. PMID:25844148

Quantification of Tribocharging of Pharmaceutical Powders in V-Blenders: Experiments, Multiscale Modeling, and Simulations.

PubMed

Naik, Shivangi; Hancock, Bruno; Abramov, Yuriy; Yu, Weili; Rowland, Martin; Huang, Zhonghui; Chaudhuri, Bodhisattwa

2016-04-01

Pharmaceutical powders are very prone to electrostatic charging by colliding and sliding contacts. In pharmaceutical formulation processes, particle charging is often a nuisance and can cause problems in the manufacture of products, such as affecting powder flow, fill, and dose uniformity. For a fundamental understanding of the powder triboelectrification, it is essential to study charge transfer under well-defined conditions. Hence, all experiments in the present study were conducted in a V-blender located inside a glove box with a controlled humidity of 20%. To understand tribocharging, different contact surfaces, namely aluminum, Teflon, poly methyl methacrylate, and nylon were used along with 2 pharmaceutical excipients and 2 drug substances. For the pharmaceutical materials, the work function values were estimated using MOPAC, a semiempirical molecular orbital package which has been previously used for the solid-state studies and molecular structure predictions. For a mechanistic understanding of tribocharging, a discrete element model incorporating charge transfer and electrostatic forces was developed. An effort was made to correlate tribocharging of pharmaceutical powders to properties such as cohesive energy density and surface energy. The multiscale model used is restricted as it considers only spherical particles with smooth surfaces. It should be used judiciously for other experimental assemblies because it does not represent a full validation of a tightly integrated model. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

NASA Technical Reports Server (NTRS)

Tessler, Alexander; Gherlone, Marco; Versino, Daniele; Di Sciuva, Marco

2012-01-01

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C0-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite elements provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Multiscale modeling for ferroelectric materials: identification of the phase-field model’s free energy for PZT from atomistic simulations

NASA Astrophysics Data System (ADS)

Völker, Benjamin; Landis, Chad M.; Kamlah, Marc

2012-03-01

Within a knowledge-based multiscale simulation approach for ferroelectric materials, the atomic level can be linked to the mesoscale by transferring results from first-principles calculations into a phase-field model. A recently presented routine (Völker et al 2011 Contin. Mech. Thermodyn. 23 435-51) for adjusting the Helmholtz free energy coefficients to intrinsic and extrinsic ferroelectric material properties obtained by DFT calculations and atomistic simulations was subject to certain limitations: caused by too small available degrees of freedom, an independent adjustment of the spontaneous strains and piezoelectric coefficients was not possible, and the elastic properties could only be considered in cubic instead of tetragonal symmetry. In this work we overcome such restrictions by expanding the formulation of the free energy function, i.e. by motivating and introducing new higher-order terms that have not appeared in the literature before. Subsequently we present an improved version of the adjustment procedure for the free energy coefficients that is solely based on input parameters from first-principles calculations performed by Marton and Elsässer, as documented in Völker et al (2011 Contin. Mech. Thermodyn. 23 435-51). Full sets of adjusted free energy coefficients for PbTiO3 and tetragonal Pb(Zr,Ti)O3 are presented, and the benefits of the newly introduced higher-order free energy terms are discussed.

Exploring the effects of climatic variables on monthly precipitation variation using a continuous wavelet-based multiscale entropy approach.

PubMed

Roushangar, Kiyoumars; Alizadeh, Farhad; Adamowski, Jan

2018-08-01

Understanding precipitation on a regional basis is an important component of water resources planning and management. The present study outlines a methodology based on continuous wavelet transform (CWT) and multiscale entropy (CWME), combined with self-organizing map (SOM) and k-means clustering techniques, to measure and analyze the complexity of precipitation. Historical monthly precipitation data from 1960 to 2010 at 31 rain gauges across Iran were preprocessed by CWT. The multi-resolution CWT approach segregated the major features of the original precipitation series by unfolding the structure of the time series which was often ambiguous. The entropy concept was then applied to components obtained from CWT to measure dispersion, uncertainty, disorder, and diversification of subcomponents. Based on different validity indices, k-means clustering captured homogenous areas more accurately, and additional analysis was performed based on the outcome of this approach. The 31 rain gauges in this study were clustered into 6 groups, each one having a unique CWME pattern across different time scales. The results of clustering showed that hydrologic similarity (multiscale variation of precipitation) was not based on geographic contiguity. According to the pattern of entropy across the scales, each cluster was assigned an entropy signature that provided an estimation of the entropy pattern of precipitation data in each cluster. Based on the pattern of mean CWME for each cluster, a characteristic signature was assigned, which provided an estimation of the CWME of a cluster across scales of 1-2, 3-8, and 9-13 months relative to other stations. The validity of the homogeneous clusters demonstrated the usefulness of the proposed approach to regionalize precipitation. Further analysis based on wavelet coherence (WTC) was performed by selecting central rain gauges in each cluster and analyzing against temperature, wind, Multivariate ENSO index (MEI), and East Atlantic (EA) and North Atlantic Oscillation (NAO), indeces. The results revealed that all climatic features except NAO influenced precipitation in Iran during the 1960-2010 period. Copyright © 2018 Elsevier Inc. All rights reserved.

Source Attribution of Near-surface Ozone in the Western US: Improved Estimates by TF HTAP2 Multi-model Experiment and Multi-scale Chemical Data Assimilation

NASA Astrophysics Data System (ADS)

Huang, M.; Bowman, K. W.; Carmichael, G. R.; Lee, M.; Park, R.; Henze, D. K.; Chai, T.; Flemming, J.; Lin, M.; Weinheimer, A. J.; Wisthaler, A.; Jaffe, D. A.

2014-12-01

Near-surface ozone in the western US can be sensitive to transported background pollutants from the free troposphere over the eastern Pacific, as well as various local emissions sources. Accurately estimating ozone source contributions in this region has strong policy-relevant significance as the air quality standards tend to go down. Here we improve modeled contributions from local and non-local sources to western US ozone base on the HTAP2 (Task Force on Hemispheric Transport of Air Pollution) multi-model experiment, along with multi-scale chemical data assimilation. We simulate western US air quality using the STEM regional model on a 12 km horizontal resolution grid, during the NASA ARCTAS field campaign period in June 2008. STEM simulations use time-varying boundary conditions downscaled from global GEOS-Chem model simulations. Standard GEOS-Chem simulation overall underpredicted ozone at 1-5 km in the eastern Pacific, resulting in underestimated contributions from the transported background pollutants to surface ozone inland. These negative biases can be reduced by using the output from several global models that support the HTAP2 experiment, which all ran with the HTAP2 harmonized emission inventory and also calculated the contributions from east Asian anthropogenic emissions. We demonstrate that the biases in GEOS-Chem boundary conditions can be more efficiently reduced via assimilating satellite ozone profiles from the Tropospheric Emission Spectrometer (TES) instrument using the three dimensional variational (3D-Var) approach. Base upon these TES-constrained GEOS-Chem boundary conditions, we then update regional nitrogen dioxide and isoprene emissions in STEM through the four dimensional variational (4D-Var) assimilation of the Ozone Monitoring Instrument (OMI) nitrogen dioxide columns and the NASA DC-8 aircraft isoprene measurements. The 4D-Var assimilation spatially redistributed the emissions of nitrogen oxides and isoprene from various US sources, and in the meantime updated the modeled ozone and its US source contributions. Compared with available independent measurements (e.g., ozone observed on the DC-8 aircraft, and at EPA and Mt. Bachelor monitoring stations) during this period, modeled ozone fields after the multi-scale assimilation show overall improvement.

Computation of solar perturbations with Poisson series

NASA Technical Reports Server (NTRS)

Broucke, R.

1974-01-01

Description of a project for computing first-order perturbations of natural or artificial satellites by integrating the equations of motion on a computer with automatic Poisson series expansions. A basic feature of the method of solution is that the classical variation-of-parameters formulation is used rather than rectangular coordinates. However, the variation-of-parameters formulation uses the three rectangular components of the disturbing force rather than the classical disturbing function, so that there is no problem in expanding the disturbing function in series. Another characteristic of the variation-of-parameters formulation employed is that six rather unusual variables are used in order to avoid singularities at the zero eccentricity and zero (or 90 deg) inclination. The integration process starts by assuming that all the orbit elements present on the right-hand sides of the equations of motion are constants. These right-hand sides are then simple Poisson series which can be obtained with the use of the Bessel expansions of the two-body problem in conjunction with certain interation methods. These Poisson series can then be integrated term by term, and a first-order solution is obtained.

GEM-AQ, an On-line Global Multiscale Chemical Weather System: Model Description and Evaluation of Gas Phase Chemistry Processes

NASA Astrophysics Data System (ADS)

Neary, L.; Kaminski, J. W.; Struzewska, J.; Ainslie, B.; McConnell, J. C.

2007-12-01

Tropospheric chemistry and air quality processes were implemented on-line in the Global Environmental Multiscale model. The integrated model, GEM-AQ, has been developed as a platform to investigate chemical weather at scales from global to urban. On the global scale, the model was exercised for five years (2001-2005) to evaluate its ability to simulate seasonal variations and regional distributions of trace gases such as ozone, nitrogen dioxide and carbon monoxide. The model results are compared with observations from satellites, aircraft measurement campaigns and balloon sondes. The same model has also been evaluated on the regional (~15km resolution) and urban scale (~3km resolution). A simulation of the formation and transport of photooxidants during the European heat wave of 2006 was performed and compared with surface observations throughout central and eastern Europe. The complex topographic region of the Lower Fraser Valley in British Columbia was the focus of another model evaluation during the PACIFIC 2001 field campaign. Comparison of model results with observations during this period will be shown.

Scale separation for multi-scale modeling of free-surface and two-phase flows with the conservative sharp interface method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, L.H., E-mail: Luhui.Han@tum.de; Hu, X.Y., E-mail: Xiangyu.Hu@tum.de; Adams, N.A., E-mail: Nikolaus.Adams@tum.de

In this paper we present a scale separation approach for multi-scale modeling of free-surface and two-phase flows with complex interface evolution. By performing a stimulus-response operation on the level-set function representing the interface, separation of resolvable and non-resolvable interface scales is achieved efficiently. Uniform positive and negative shifts of the level-set function are used to determine non-resolvable interface structures. Non-resolved interface structures are separated from the resolved ones and can be treated by a mixing model or a Lagrangian-particle model in order to preserve mass. Resolved interface structures are treated by the conservative sharp-interface model. Since the proposed scale separationmore » approach does not rely on topological information, unlike in previous work, it can be implemented in a straightforward fashion into a given level set based interface model. A number of two- and three-dimensional numerical tests demonstrate that the proposed method is able to cope with complex interface variations accurately and significantly increases robustness against underresolved interface structures.« less

Launch Window Analysis for the Magnetospheric Multiscale Mission

NASA Technical Reports Server (NTRS)

Williams, Trevor W.

2012-01-01

The NASA Magnetospheric Multiscale (MMS) mission will fly four spinning spacecraft in formation in highly elliptical orbits to study the magnetosphere of the Earth. This paper describes the development of an MMS launch window tool that uses the orbitaveraged Variation of Parameter equations as the basis for a semi-analytic quantification of the dominant oblateness and lunisolar perturbation effects on the MMS orbit. This approach, coupled with a geometric interpretation of all of the MMS science and engineering constraints, allows a scan of 180(sup 2) = 32,400 different (RAAN, AOP) pairs to be carried out for a specified launch day in less than 10 s on a typical modern laptop. The resulting plot indicates the regions in (RAAN, AOP) space where each constraint is satisfied or violated: their intersection gives, in an easily interpreted graphical manner, the final solution space for the day considered. This tool, SWM76, is now used to provide launch conditions to the full fidelity (but far slower) MMS simulation code: very good agreement has been observed between the two methods.

Simulated remodeling of loaded collagen networks via strain-dependent enzymatic degradation and constant-rate fiber growth

PubMed Central

Hadi, M.F.; Sander, E.A.; Ruberti, J.W.; Barocas, V. H.

2011-01-01

Recent work has demonstrated that enzymatic degradation of collagen fibers exhibits strain-dependent kinetics. Conceptualizing how the strain dependence affects remodeling of collagenous tissues is vital to our understanding of collagen management in native and bioengineered tissues. As a first step towards this goal, the current study puts forward a multiscale model for enzymatic degradation and remodeling of collagen networks for two sample geometries we routinely use in experiments as model tissues. The multiscale model, driven by microstructural data from an enzymatic decay experiment, includes an exponential strain-dependent kinetic relation for degradation and constant growth. For a dogbone sample under uniaxial load, the model predicted that the distribution of fiber diameters would spread over the course of degradation because of variation in individual fiber load. In a cross-shaped sample, the central region, which experiences smaller, more isotropic loads, showed more decay and less spread in fiber diameter compared to the arms. There was also a slight shift in average orientation in different regions of the cruciform. PMID:22180691

On the correspondence between quantum and classical variational principles

DOE PAGES

Ruiz, D. E.; Dodin, I. Y.

2015-06-10

Here, classical variational principles can be deduced from quantum variational principles via formal reparameterization of the latter. It is shown that such reparameterization is possible without invoking any assumptions other than classicality and without appealing to dynamical equations. As examples, first principle variational formulations of classical point-particle and cold-fluid motion are derived from their quantum counterparts for Schrodinger, Pauli, and Klein-Gordon particles.

Completed Beltrami-Michell formulation for analyzing mixed boundary value problems in elasticity

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Kaljevic, Igor; Hopkins, Dale A.; Saigal, Sunil

1995-01-01

In elasticity, the method of forces, wherein stress parameters are considered as the primary unknowns, is known as the Beltrami-Michell formulation (BMF). The existing BMF can only solve stress boundary value problems; it cannot handle the more prevalent displacement of mixed boundary value problems of elasticity. Therefore, this formulation, which has restricted application, could not become a true alternative to the Navier's displacement method, which can solve all three types of boundary value problems. The restrictions in the BMF have been alleviated by augmenting the classical formulation with a novel set of conditions identified as the boundary compatibility conditions. This new method, which completes the classical force formulation, has been termed the completed Beltrami-Michell formulation (CBMF). The CBMF can solve general elasticity problems with stress, displacement, and mixed boundary conditions in terms of stresses as the primary unknowns. The CBMF is derived from the stationary condition of the variational functional of the integrated force method. In the CBMF, stresses for kinematically stable structures can be obtained without any reference to the displacements either in the field or on the boundary. This paper presents the CBMF and its derivation from the variational functional of the integrated force method. Several examples are presented to demonstrate the applicability of the completed formulation for analyzing mixed boundary value problems under thermomechanical loads. Selected example problems include a cylindrical shell wherein membrane and bending responses are coupled, and a composite circular plate.

New Variational Formulations of Hybrid Stress Elements

NASA Technical Reports Server (NTRS)

Pian, T. H. H.; Sumihara, K.; Kang, D.

1984-01-01

In the variational formulations of finite elements by the Hu-Washizu and Hellinger-Reissner principles the stress equilibrium condition is maintained by the inclusion of internal displacements which function as the Lagrange multipliers for the constraints. These versions permit the use of natural coordinates and the relaxation of the equilibrium conditions and render considerable improvements in the assumed stress hybrid elements. These include the derivation of invariant hybrid elements which possess the ideal qualities such as minimum sensitivity to geometric distortions, minimum number of independent stress parameters, rank sufficient, and ability to represent constant strain states and bending moments. Another application is the formulation of semiLoof thin shell elements which can yield excellent results for many severe test cases because the rigid body nodes, the momentless membrane strains, and the inextensional bending modes are all represented.

Parallelization of fine-scale computation in Agile Multiscale Modelling Methodology

NASA Astrophysics Data System (ADS)

Macioł, Piotr; Michalik, Kazimierz

2016-10-01

Nowadays, multiscale modelling of material behavior is an extensively developed area. An important obstacle against its wide application is high computational demands. Among others, the parallelization of multiscale computations is a promising solution. Heterogeneous multiscale models are good candidates for parallelization, since communication between sub-models is limited. In this paper, the possibility of parallelization of multiscale models based on Agile Multiscale Methodology framework is discussed. A sequential, FEM based macroscopic model has been combined with concurrently computed fine-scale models, employing a MatCalc thermodynamic simulator. The main issues, being investigated in this work are: (i) the speed-up of multiscale models with special focus on fine-scale computations and (ii) on decreasing the quality of computations enforced by parallel execution. Speed-up has been evaluated on the basis of Amdahl's law equations. The problem of `delay error', rising from the parallel execution of fine scale sub-models, controlled by the sequential macroscopic sub-model is discussed. Some technical aspects of combining third-party commercial modelling software with an in-house multiscale framework and a MPI library are also discussed.

Variational Integrators for Interconnected Lagrange-Dirac Systems

NASA Astrophysics Data System (ADS)

Parks, Helen; Leok, Melvin

2017-10-01

Interconnected systems are an important class of mathematical models, as they allow for the construction of complex, hierarchical, multiphysics, and multiscale models by the interconnection of simpler subsystems. Lagrange-Dirac mechanical systems provide a broad category of mathematical models that are closed under interconnection, and in this paper, we develop a framework for the interconnection of discrete Lagrange-Dirac mechanical systems, with a view toward constructing geometric structure-preserving discretizations of interconnected systems. This work builds on previous work on the interconnection of continuous Lagrange-Dirac systems (Jacobs and Yoshimura in J Geom Mech 6(1):67-98, 2014) and discrete Dirac variational integrators (Leok and Ohsawa in Found Comput Math 11(5), 529-562, 2011). We test our results by simulating some of the continuous examples given in Jacobs and Yoshimura (2014).

Multiscale structures of lipids in foods as parameters affecting fatty acid bioavailability and lipid metabolism.

PubMed

Michalski, M C; Genot, C; Gayet, C; Lopez, C; Fine, F; Joffre, F; Vendeuvre, J L; Bouvier, J; Chardigny, J M; Raynal-Ljutovac, K

2013-10-01

On a nutritional standpoint, lipids are now being studied beyond their energy content and fatty acid (FA) profiles. Dietary FA are building blocks of a huge diversity of more complex molecules such as triacylglycerols (TAG) and phospholipids (PL), themselves organised in supramolecular structures presenting different thermal behaviours. They are generally embedded in complex food matrixes. Recent reports have revealed that molecular and supramolecular structures of lipids and their liquid or solid state at the body temperature influence both the digestibility and metabolism of dietary FA. The aim of the present review is to highlight recent knowledge on the impact on FA digestion, absorption and metabolism of: (i) the intramolecular structure of TAG; (ii) the nature of the lipid molecules carrying FA; (iii) the supramolecular organization and physical state of lipids in native and formulated food products and (iv) the food matrix. Further work should be accomplished now to obtain a more reliable body of evidence and integrate these data in future dietary recommendations. Additionally, innovative lipid formulations in which the health beneficial effects of either native or recomposed structures of lipids will be taken into account can be foreseen. Copyright © 2013 Elsevier Ltd. All rights reserved.

25th anniversary article: scalable multiscale patterned structures inspired by nature: the role of hierarchy.

PubMed

Bae, Won-Gyu; Kim, Hong Nam; Kim, Doogon; Park, Suk-Hee; Jeong, Hoon Eui; Suh, Kahp-Yang

2014-02-01

Multiscale, hierarchically patterned surfaces, such as lotus leaves, butterfly wings, adhesion pads of gecko lizards are abundantly found in nature, where microstructures are usually used to strengthen the mechanical stability while nanostructures offer the main functionality, i.e., wettability, structural color, or dry adhesion. To emulate such hierarchical structures in nature, multiscale, multilevel patterning has been extensively utilized for the last few decades towards various applications ranging from wetting control, structural colors, to tissue scaffolds. In this review, we highlight recent advances in scalable multiscale patterning to bring about improved functions that can even surpass those found in nature, with particular focus on the analogy between natural and synthetic architectures in terms of the role of different length scales. This review is organized into four sections. First, the role and importance of multiscale, hierarchical structures is described with four representative examples. Second, recent achievements in multiscale patterning are introduced with their strengths and weaknesses. Third, four application areas of wetting control, dry adhesives, selectively filtrating membranes, and multiscale tissue scaffolds are overviewed by stressing out how and why multiscale structures need to be incorporated to carry out their performances. Finally, we present future directions and challenges for scalable, multiscale patterned surfaces. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiscale modeling and characterization for performance and safety of lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pannala, Sreekanth; Turner, John A.; Allu, Srikanth

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model types and formulations. This framework has been used to create three-dimensional cell and battery 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 safety aspects under adverse conditions. The modelmore » development and validation are supported by experimental methods such as IR-imaging, X-ray tomography and micro-Raman mapping.« less

Multiscale modeling and characterization for performance and safety of lithium-ion batteries

DOE PAGES

Pannala, Sreekanth; Turner, John A.; Allu, Srikanth; ...

2015-08-19

Lithium-ion batteries are highly complex electrochemical systems whose performance and safety are governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. In this paper we describe a new, open source computational framework for Lithium-ion battery simulations that is designed to support a variety of model types and formulations. This framework has been used to create three-dimensional cell and battery 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 safety aspects under adverse conditions. The modelmore » development and validation are supported by experimental methods such as IR-imaging, X-ray tomography and micro-Raman mapping.« less

Transitions between superstatistical regimes: Validity, breakdown and applications

NASA Astrophysics Data System (ADS)

Jizba, Petr; Korbel, Jan; Lavička, Hynek; Prokš, Martin; Svoboda, Václav; Beck, Christian

2018-03-01

Superstatistics is a widely employed tool of non-equilibrium statistical physics which plays an important rôle in analysis of hierarchical complex dynamical systems. Yet, its "canonical" formulation in terms of a single nuisance parameter is often too restrictive when applied to complex empirical data. Here we show that a multi-scale generalization of the superstatistics paradigm is more versatile, allowing to address such pertinent issues as transmutation of statistics or inter-scale stochastic behavior. To put some flesh on the bare bones, we provide a numerical evidence for a transition between two superstatistics regimes, by analyzing high-frequency (minute-tick) data for share-price returns of seven selected companies. Salient issues, such as breakdown of superstatistics in fractional diffusion processes or connection with Brownian subordination are also briefly discussed.

Shock Waves Propagation in Scope of the Nonlocal Theory of Dynamical Plasticity

NASA Astrophysics Data System (ADS)

Khantuleva, Tatyana A.

2004-07-01

From the point of view of the modern statistical mechanics the problems on shock compression of solids require a reformulation in terms of highly nonequilibrium effects arising inside the wave front. The self-organization during the multiscale and multistage momentum and energy exchange are originated by the correlation function. The theory of dynamic plasticity has been developed by the author on the base of the self-consistent nonlocal hydrodynamic approach had been applied to the shock wave propagation in solids. Nonlocal balance equations describe both the reversible wave type transport at the initial stage and the diffusive (dissipative) one in the end. The involved inverse influence of the mesoeffects on the wave propagation makes the formulation of problems self-consistent and involves a concept of the cybernetic control close-loop.

An Examination of a Multi-Scale Three-Dimensional Variational Data Assimilation Scheme in the Kuroshio Extension Using the Naval Coastal Ocean Model

DTIC Science & Technology

2014-01-01

forecasts. Oceanic applications of the MS3DVAR have been Contents lists available at ScienceDirect journal homepage: www.elsevier.com/locate/ csr ...intervals of 12 h. The model grid location and depth can be seen in Fig. 2. In this region the Kuroshio appears as a narrow large magni- tude current in...1997. Introduction to high-frequency radar: reality and myth. Oceanography 10, 36–39. Qu, T., Mitsudera, H., Qui, B., 2001. A climatological view

Multiscale analysis of heart rate dynamics: entropy and time irreversibility measures.

PubMed

Costa, Madalena D; Peng, Chung-Kang; Goldberger, Ary L

2008-06-01

Cardiovascular signals are largely analyzed using traditional time and frequency domain measures. However, such measures fail to account for important properties related to multiscale organization and non-equilibrium dynamics. The complementary role of conventional signal analysis methods and emerging multiscale techniques, is, therefore, an important frontier area of investigation. The key finding of this presentation is that two recently developed multiscale computational tools--multiscale entropy and multiscale time irreversibility--are able to extract information from cardiac interbeat interval time series not contained in traditional methods based on mean, variance or Fourier spectrum (two-point correlation) techniques. These new methods, with careful attention to their limitations, may be useful in diagnostics, risk stratification and detection of toxicity of cardiac drugs.

Multiscale Analysis of Heart Rate Dynamics: Entropy and Time Irreversibility Measures

PubMed Central

Peng, Chung-Kang; Goldberger, Ary L.

2016-01-01

Cardiovascular signals are largely analyzed using traditional time and frequency domain measures. However, such measures fail to account for important properties related to multiscale organization and nonequilibrium dynamics. The complementary role of conventional signal analysis methods and emerging multiscale techniques, is, therefore, an important frontier area of investigation. The key finding of this presentation is that two recently developed multiscale computational tools— multiscale entropy and multiscale time irreversibility—are able to extract information from cardiac interbeat interval time series not contained in traditional methods based on mean, variance or Fourier spectrum (two-point correlation) techniques. These new methods, with careful attention to their limitations, may be useful in diagnostics, risk stratification and detection of toxicity of cardiac drugs. PMID:18172763

FV-MHMM: A Discussion on Weighting Schemes.

NASA Astrophysics Data System (ADS)

Franc, J.; Gerald, D.; Jeannin, L.; Egermann, P.; Masson, R.

2016-12-01

Upscaling or homogenization techniques consist in finding block-equivalentor equivalent upscaled properties on a coarse grid from heterogeneousproperties defined on an underlying fine grid. However, this couldbecome costly and resource consuming. Harder et al., 2013, have developeda Multiscale Hybrid-Mixed Method (MHMM) of upscaling to treat Darcytype equations on heterogeneous fields formulated using a finite elementmethod. Recently, Franc et al. 2016, has extended this method of upscalingto finite volume formulation (FV-MHMM). Although convergence refiningLagrange multipliers space has been observed, numerical artefactscan occur while trapping numerically the flow in regions of low permeability. This work will present the development of the method along with theresults obtained from its classical formulation. Then, two weightingschemes and their benefits on the FV-MHMM method will be presented insome simple random permeability cases. Next example will involve alarger heterogeneous 2D permeability field extracted from the 10thSPE test case. Eventually, multiphase flow will be addressed asan extension of this single phase flow method. An elliptic pressureequation solved on the coarse grid via FV-MHMM will be sequentiallycoupled with a hyperbolic saturation equation on the fine grid. Theimproved accuracy thanks to the weighting scheme will be measuredcompared to a finite volume fine grid solution. References: Harder, C., Paredes, D. and Valentin, F., A family of multiscalehybrid-mixed finite element methods for the Darcy equation with roughcoefficients, Journal of Computational Physics, 2013. Franc J., Debenest G., Jeannin L., Egermann P. and Masson R., FV-MHMMfor reservoir modelling ECMOR XV-15th European Conference on the Mathematicsof Oil Recovery, 2015.

High performance computing to support multiscale representation of hydrography for the conterminous United States

USGS Publications Warehouse

Stanislawski, Larry V.; Liu, Yan; Buttenfield, Barbara P.; Survila, Kornelijus; Wendel, Jeffrey; Okok, Abdurraouf

2016-01-01

The National Hydrography Dataset (NHD) for the United States furnishes a comprehensive set of vector features representing the surface-waters in the country (U.S. Geological Survey 2000). The high-resolution (HR) layer of the NHD is largely comprised of hydrographic features originally derived from 1:24,000-scale (24K) U.S. Topographic maps. However, in recent years (2009 to present) densified hydrographic feature content, from sources as large as 1:2,400, have been incorporated into some watersheds of the HR NHD within the conterminous United States to better support the needs of various local and state organizations. As such, the HR NHD is a multiresolution dataset with obvious data density variations because of scale changes. In addition, data density variations exist within the HR NHD that are particularly evident in the surface-water flow network (NHD flowlines) because of natural variations of local geographic conditions; and also because of unintentional compilation inconsistencies due to variations in data collection standards and climate conditions over the many years of 24K hydrographic data collection (US Geological Survey 1955).

Multi-scale finite element modeling of Eustachian tube function: influence of mucosal adhesion.

PubMed

Malik, J E; Swarts, J D; Ghadiali, S N

2016-12-01

The inability to open the collapsible Eustachian tube (ET) leads to the development of chronic Otitis Media (OM). Although mucosal inflammation during OM leads to increased mucin gene expression and elevated adhesion forces within the ET lumen, it is not known how changes in mucosal adhesion alter the biomechanical mechanisms of ET function. In this study, we developed a novel multi-scale finite element model of ET function in adults that utilizes adhesion spring elements to simulate changes in mucosal adhesion. Models were created for six adult subjects, and dynamic patterns in muscle contraction were used to simulate the wave-like opening of the ET that occurs during swallowing. Results indicate that ET opening is highly sensitive to the level of mucosal adhesion and that exceeding a critical value of adhesion leads to rapid ET dysfunction. Parameter variation studies and sensitivity analysis indicate that increased mucosal adhesion alters the relative importance of several tissue biomechanical properties. For example, increases in mucosal adhesion reduced the sensitivity of ET function to tensor veli palatini muscle forces but did not alter the insensitivity of ET function to levator veli palatini muscle forces. Interestingly, although changes in cartilage stiffness did not significantly influence ET opening under low adhesion conditions, ET opening was highly sensitive to changes in cartilage stiffness under high adhesion conditions. Therefore, our multi-scale computational models indicate that changes in mucosal adhesion as would occur during inflammatory OM alter the biomechanical mechanisms of ET function. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Response of Moist Convection to Multi-scale Surface Flux Heterogeneity

NASA Astrophysics Data System (ADS)

Kang, S. L.; Ryu, J. H.

2015-12-01

We investigate response of moist convection to multi-scale feature of the spatial variation of surface sensible heat fluxes (SHF) in the afternoon evolution of the convective boundary layer (CBL), utilizing a mesoscale-domain large eddy simulation (LES) model. The multi-scale surface heterogeneity feature is analytically created as a function of the spectral slope in the wavelength range from a few tens of km to a few hundreds of m in the spectrum of surface SHF on a log-log scale. The response of moist convection to the κ-3 - slope (where κ is wavenumber) surface SHF field is compared with that to the κ-2 - slope surface, which has a relatively weak mesoscale feature, and the homogeneous κ0 - slope surface. Given the surface energy balance with a spatially uniform available energy, the prescribed SHF has a 180° phase lag with the latent heat flux (LHF) in a horizontal domain of (several tens of km)2. Thus, warmer (cooler) surface is relatively dry (moist). For all the cases, the same observation-based sounding is prescribed for the initial condition. For all the κ-3 - slope surface heterogeneity cases, early non-precipitating shallow clouds further develop into precipitating deep thunderstorms. But for all the κ-2 - slope cases, only shallow clouds develop. We compare the vertical profiles of domain-averaged fluxes and variances, and the contribution of the mesoscale and turbulence contributions to the fluxes and variances, between the κ-3 versus κ-2 slope cases. Also the cross-scale processes are investigated.

Influences of coupled fire-atmosphere interaction on wildfire behavior

NASA Astrophysics Data System (ADS)

Linn, R.; Winterkamp, J.; Jonko, A. K.; Runde, I.; Canfield, J.; Parsons, R.; Sieg, C.

2017-12-01

Two-way interactions between fire and the environment affect fire behavior at scales ranging from buoyancy-induced mixing and turbulence to fire-scale circulations that retard or increase fire spread. Advances in computing have created new opportunities for the exploration of coupled fire-atmosphere behavior using numerical models that represent interactions between the dominant processes driving wildfire behavior, including convective and radiative heat transfer, aerodynamic drag and buoyant response of the atmosphere to heat released by the fire. Such models are not practical for operational, faster-than-real-time fire prediction due to their computational and data requirements. However, they are valuable tools for exploring influences of fire-atmosphere feedbacks on fire behavior as they explicitly simulate atmospheric motions surrounding fires from meter to kilometer scales. We use the coupled fire-atmosphere model FIRETEC to gain new insights into aspects of fire behavior that have been observed in the field and laboratory, to carry out sensitivity analysis that is impractical through observations and to pose new hypotheses that can be tested experimentally. Specifically, we use FIRETEC to study the following multi-scale coupled fire-atmosphere interactions: 1) 3D fire-atmosphere interaction that dictates multi-scale fire line dynamics; 2) influence of vegetation heterogeneity and variability in wind fields on predictability of fire spread; 3) fundamental impacts of topography on fire spread. These numerical studies support new conceptual models for the dominant roles of multi-scale fluid dynamics in determining fire spread, including the roles of crosswind fire line-intensity variations on heat transfer to unburned fuels and the role of fire line depth expansion in upslope acceleration of fires.

Completed Beltrami-Michell Formulation in Polar Coordinates

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Hopkins, Dale A.

2005-01-01

A set of conditions had not been formulated on the boundary of an elastic continuum since the time of Saint-Venant. This limitation prevented the formulation of a direct stress calculation method in elasticity for a continuum with a displacement boundary condition. The missed condition, referred to as the boundary compatibility condition, is now formulated in polar coordinates. The augmentation of the new condition completes the Beltrami-Michell formulation in polar coordinates. The completed formulation that includes equilibrium equations and a compatibility condition in the field as well as the traction and boundary compatibility condition is derived from the stationary condition of the variational functional of the integrated force method. The new method is illustrated by solving an example of a mixed boundary value problem for mechanical as well as thermal loads.

A chance constraint estimation approach to optimizing resource management under uncertainty

Treesearch

Michael Bevers

2007-01-01

Chance-constrained optimization is an important method for managing risk arising from random variations in natural resource systems, but the probabilistic formulations often pose mathematical programming problems that cannot be solved with exact methods. A heuristic estimation method for these problems is presented that combines a formulation for order statistic...

Diagnostic Criteria in Clinical Settings: DSM-IV and Cultural Competence

ERIC Educational Resources Information Center

Christensen, Michelle

2001-01-01

Historically, the Diagnostic and Statistical Manual of Mental Disorder (DSM) gave little attention to cultural variations in mental disorder. DSM-IV includes a cultural case formulation outline. The current paper presents a case formulation of an American Indian client who presented with depressive symptoms and a history of substance dependence.…

Spatial variation and driving factors of soil moisture at multi-scales: a case study in Loess Plateau of China

NASA Astrophysics Data System (ADS)

Zhao, W.; Zhang, X.; Liu, Y.; Fang, X.

2017-12-01

Currently, the ecological restoration of the Loess Plateau has led to significant achievements such as increases in vegetation coverage, decreases in soil erosion, and enhancement of ecosystem services. Soil moisture shortages, however, commonly occur as a result of limited rainfall and strong evaporation in this semiarid region of China. Since soil moisture is critical in regulating plant growth in these semiarid regions, it is crucial to identify the spatial variation and factors affecting soil moisture at multi-scales in the Loess Plateau of China. In the last several years, extensive studies on soil moisture have been carried out by our research group at the plot, small watershed, watershed, and regional scale in the Loess Plateau, providing some information for vegetation restoration in the region. The main research results are as follows: (1) the highest soil moisture content was in the 0-0.1 m layer with a large coefficient of variation; (2) in the 0-0.1m layer, soil moisture content was negatively correlated with relative elevation, slope and vegetation cover, the correlations among slope, aspect and soil moisture increased with depth increased; (3) as for the deep soil moisture content, the higher spatial variation of deep SMC occurred at 1.2-1.4 m and 4.8-5.0m; (4) the deep soil moisture content in native grassland and farmland were significant higher than that of introduced vegetation; (5) at regional scale, the soil water content under different precipitation zones increased following the increase of precipitation, while, the influencing factors of deep SMC at watershed scale varied with land management types; (6) in the areas with multi-year precipitation of 370 - 440mm, natural grass is more suitable for restoration, and this should be treated as the key areas in vegetation restoration; (7) appropriate planting density and species selection should be taken into account for introduced vegetation management; (8) it is imperative to take the local reality into account and to balance the economic and ecological benefits so that the ratio of artificial vegetation and natural restoration can be optimized to realize sustainability of vegetation restoration

The many faces of fear: a synthesis of the methodological variation in characterizing predation risk.

PubMed

Moll, Remington J; Redilla, Kyle M; Mudumba, Tutilo; Muneza, Arthur B; Gray, Steven M; Abade, Leandro; Hayward, Matt W; Millspaugh, Joshua J; Montgomery, Robert A

2017-07-01

Predators affect prey by killing them directly (lethal effects) and by inducing costly antipredator behaviours in living prey (risk effects). Risk effects can strongly influence prey populations and cascade through trophic systems. A prerequisite for assessing risk effects is characterizing the spatiotemporal variation in predation risk. Risk effects research has experienced rapid growth in the last several decades. However, preliminary assessments of the resultant literature suggest that researchers characterize predation risk using a variety of techniques. The implications of this methodological variation for inference and comparability among studies have not been well recognized or formally synthesized. We couple a literature survey with a hierarchical framework, developed from established theory, to quantify the methodological variation in characterizing risk using carnivore-ungulate systems as a case study. Via this process, we documented 244 metrics of risk from 141 studies falling into at least 13 distinct subcategories within three broader categories. Both empirical and theoretical work suggest risk and its effects on prey constitute a complex, multi-dimensional process with expressions varying by spatiotemporal scale. Our survey suggests this multi-scale complexity is reflected in the literature as a whole but often underappreciated in any given study, which complicates comparability among studies and leads to an overemphasis on documenting the presence of risk effects rather than their mechanisms or scale of influence. We suggest risk metrics be placed in a more concrete conceptual framework to clarify inference surrounding risk effects and their cascading effects throughout ecosystems. We recommend studies (i) take a multi-scale approach to characterizing risk; (ii) explicitly consider 'true' predation risk (probability of predation per unit time); and (iii) use risk metrics that facilitate comparison among studies and the evaluation of multiple competing hypotheses. Addressing the pressing questions in risk effects research, including how, to what extent and on what scale they occur, requires leveraging the advantages of the many methods available to characterize risk while minimizing the confusion caused by variability in their application. © 2017 The Authors. Journal of Animal Ecology © 2017 British Ecological Society.

Development of an isocratic HPLC method for catechin quantification and its application to formulation studies.

PubMed

Li, Danhui; Martini, Nataly; Wu, Zimei; Wen, Jingyuan

2012-10-01

The aim of this study was to develop a simple, rapid and accurate isocratic HPLC analytical method to qualify and quantify five catechin derivatives, namely (+)-catechin (C), (-)-epigallocatechin (EGC), (-)-epicatechin gallate (ECG), (-)-epicatechin (EC) and (-)-epigallocatechin gallate (EGCG). To validate the analytical method, linearity, repeatability, intermediate precision, sensitivity, selectivity and recovery were investigated. The five catechin derivatives were completely separated by HPLC using a mobile phase containing 0.1% TFA in Milli-Q water (pH 2.0) mixed with methanol at the volume ratio of 75:25 at a flow rate of 0.8 ml/min. The method was shown to be linear (r²>0.99), repeatable with instrumental precision<2.0 and intra-assay precision<2.5 (%CV, percent coefficient of variation), precise with intra-day variation<1 and inter-day variation<2.5 (%CV, percent coefficient of variation) and sensitive (LOD<1 μg/mL and LOQ<3 μg/mL) over the calibration range for all five derivatives. Derivatives could be fully recovered in the presence of niosomal formulation (recovery rates>91%). Selectivity of the method was proven by the forced degradation studies, which showed that under acidic, basic, oxidation temperature and photolysis stresses, the parent drug can be separated from the degradation products by means of this analytical method. The described method was successfully applied in the in vitro release studies of catechin-loaded niosomes to manifest its utility in formulation characterization. Obtained results indicated that the drug release from niosomal formulations was a biphasic process and a diffusion mechanism regulated the permeation of catechin niosomes. Copyright © 2012 Elsevier B.V. All rights reserved.

Preparation and In vitro Evaluation of Naproxen Suppositories

PubMed Central

Hargoli, S.; Farid, J.; Azarmi, S. H.; Ghanbarzadeh, S.; Zakeri-Milani, P.

2013-01-01

The aim of this work was to develop the best formulations for naproxen suppositories. The effects of different bases and surfactants on the physicochemical characteristics of the suppositories were determined by several tests such as weight variation, melting point, assay, hardness, and release rate. All formulations met the standard criteria for tested physicochemical parameters; weight variation (97-112%), content uniformity (97-105%), melting point (4.66-8.7 min) and hardness tests (>5400 g). Based on release rate studies, hydrophilic, and lipophilic bases without surfactants were not suitable bases for naproxen suppository. Amongst the formulations containing surfactants only Witepsol H15 with 0.5% w/w of Tween 80 and Witepsol W35 with 0.5% of cetylpyridinium chloride were suitable and released nearly complete drug during 30 and 60 min, respectively. This study demonstrates the effects of incorporation of known agents on the in vitro release characteristics of naproxen suppository. PMID:24019561

Membrane triangles with corner drilling freedoms. I - The EFF element

NASA Technical Reports Server (NTRS)

Alvin, Ken; De La Fuente, Horacio M.; Haugen, Bjorn; Felippa, Carlos A.

1992-01-01

The formulation of 3-node 9-DOF membrane elements with normal-to-element-plane rotations (drilling freedoms) is examined in the context of parametrized variational principles. In particular, attention is given to the application of the extended free formulation (EFF) to the construction of a triangular membrane element with drilling freedoms that initially has complete quadratic polynomial expansions in each displacement component. The main advantage of the EFF over the free formulation triangle is that an explicit form is obtained for the higher-order stiffness.

Multiscale Evaluation of Thermal Dependence in the Glucocorticoid Response of Vertebrates.

PubMed

Jessop, Tim S; Lane, Meagan L; Teasdale, Luisa; Stuart-Fox, Devi; Wilson, Robbie S; Careau, Vincent; Moore, Ignacio T

2016-09-01

Environmental temperature has profound effects on animal physiology, ecology, and evolution. Glucocorticoid (GC) hormones, through effects on phenotypic performance and life history, provide fundamental vertebrate physiological adaptations to environmental variation, yet we lack a comprehensive understanding of how temperature influences GC regulation in vertebrates. Using field studies and meta- and comparative phylogenetic analyses, we investigated how acute change and broadscale variation in temperature correlated with baseline and stress-induced GC levels. Glucocorticoid levels were found to be temperature and taxon dependent, but generally, vertebrates exhibited strong positive correlations with acute changes in temperature. Furthermore, reptile baseline, bird baseline, and capture stress-induced GC levels to some extent covaried with broadscale environmental temperature. Thus, vertebrate GC function appears clearly thermally influenced. However, we caution that lack of detailed knowledge of thermal plasticity, heritability, and the basis for strong phylogenetic signal in GC responses limits our current understanding of the role of GC hormones in species' responses to current and future climate variation.

Rescuing the MaxEnt treatment for q-generalized entropies

NASA Astrophysics Data System (ADS)

Plastino, A.; Rocca, M. C.

2018-02-01

It has been recently argued that the MaxEnt variational problem would not adequately work for Renyi's and Tsallis' entropies. We constructively show here that this is not so if one formulates the associated variational problem in a more orthodox functional fashion.

Modeling of resistive sheets in finite element solutions

NASA Technical Reports Server (NTRS)

Jin, J. M.; Volakis, John L.; Yu, C. L.; Woo, Alex C.

1992-01-01

A formulation is presented for modeling a resistive card in the context of the finite element method. The appropriate variational function is derived and for variational purposes results are presented for the scattering by a metal-backed cavity loaded with a resistive card.

Element free Galerkin formulation of composite beam with longitudinal slip

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmad, Dzulkarnain; Mokhtaram, Mokhtazul Haizad; Badli, Mohd Iqbal

2015-05-15

Behaviour between two materials in composite beam is assumed partially interact when longitudinal slip at its interfacial surfaces is considered. Commonly analysed by the mesh-based formulation, this study used meshless formulation known as Element Free Galerkin (EFG) method in the beam partial interaction analysis, numerically. As meshless formulation implies that the problem domain is discretised only by nodes, the EFG method is based on Moving Least Square (MLS) approach for shape functions formulation with its weak form is developed using variational method. The essential boundary conditions are enforced by Langrange multipliers. The proposed EFG formulation gives comparable results, after beenmore » verified by analytical solution, thus signify its application in partial interaction problems. Based on numerical test results, the Cubic Spline and Quartic Spline weight functions yield better accuracy for the EFG formulation, compares to other proposed weight functions.« less

Morphodynamic Modeling of the Lower Yellow River, China: Flux (Equilibrium) Form or Entrainment (Nonequilibrium) Form of Sediment Mass Conservation?

NASA Astrophysics Data System (ADS)

An, C.; Parker, G.; Ma, H.; Naito, K.; Moodie, A. J.; Fu, X.

2017-12-01

Models of river morphodynamics consist of three elements: (1) a treatment of flow hydraulics, (2) a formulation relating some aspect of sediment transport to flow hydraulics, and (3) a description of sediment conservation. In the case of unidirectional river flow, the Exner equation of sediment conservation is commonly described in terms of a flux-based formulation, in which bed elevation variation is related to the streamwise gradient of sediment transport rate. An alternate formulation of the Exner equation, however, is the entrainment-based formulation in which bed elevation variation is related to the difference between the entrainment rate of bed sediment into suspension and the deposition rate of suspended sediment onto the bed. In the flux-based formulation, sediment transport is regarded to be in a local equilibrium state (i.e., sediment transport rate locally equals sediment transport capacity). However, the entrainment-based formulation does not require this constraint; the sediment transport rate may lag in space and time behind the changing flow conditions. In modeling the fine-grained Lower Yellow River, it is usual to treat sediment conservation in terms of an entrainment-based (nonequilibrium) rather than a flux-based (equilibrium) formulation with the consideration that fine-grained sediment may be entrained at one place but deposited only at some distant location downstream. However, the differences in prediction between the two formulations are still not well known, and the entrainment formulation may not always be necessary for the Lower Yellow River. Here we study this problem by comparing the results of flux-based and entrainment-based morphodynamics under conditions typical of the Yellow River, using sediment transport equations specifically designed for the Lower Yellow River. We find, somewhat unexpectedly, that in a treatment of a 200-km reach using uniform sediment, there is little difference between the two formulations unless the sediment fall velocity is arbitrarily greatly reduced. A consideration of sediment mixtures, however, shows that the two formulations give very different patterns of grain sorting. We explain this in terms of the structures of the two Exner equations for sediment mixtures, and define conditions for applicability of each formulation.

A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

DOE PAGES

Allu, S.; Kalnaus, S.; Simunovic, S.; ...

2016-06-09

Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allowsmore » for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.« less

Variational formulation for dissipative continua and an incremental J-integral

NASA Astrophysics Data System (ADS)

Rahaman, Md. Masiur; Dhas, Bensingh; Roy, D.; Reddy, J. N.

2018-01-01

Our aim is to rationally formulate a proper variational principle for dissipative (viscoplastic) solids in the presence of inertia forces. As a first step, a consistent linearization of the governing nonlinear partial differential equations (PDEs) is carried out. An additional set of complementary (adjoint) equations is then formed to recover an underlying variational structure for the augmented system of linearized balance laws. This makes it possible to introduce an incremental Lagrangian such that the linearized PDEs, including the complementary equations, become the Euler-Lagrange equations. Continuous groups of symmetries of the linearized PDEs are computed and an analysis is undertaken to identify the variational groups of symmetries of the linearized dissipative system. Application of Noether's theorem leads to the conservation laws (conserved currents) of motion corresponding to the variational symmetries. As a specific outcome, we exploit translational symmetries of the functional in the material space and recover, via Noether's theorem, an incremental J-integral for viscoplastic solids in the presence of inertia forces. Numerical demonstrations are provided through a two-dimensional plane strain numerical simulation of a compact tension specimen of annealed mild steel under dynamic loading.

Turbulent flux variability and energy balance closure in the TERENO prealpine observatory: a hydrometeorological data analysis

NASA Astrophysics Data System (ADS)

Soltani, Mohsen; Mauder, Matthias; Laux, Patrick; Kunstmann, Harald

2017-07-01

The temporal multiscale variability of the surface heat fluxes is assessed by the analysis of the turbulent heat and moisture fluxes using the eddy covariance (EC) technique at the TERrestrial ENvironmental Observatories (TERENO) prealpine region. The fast and slow response variables from three EC sites located at Fendt, Rottenbuch, and Graswang are gathered for the period of 2013 to 2014. Here, the main goals are to characterize the multiscale variations and drivers of the turbulent fluxes, as well as to quantify the energy balance closure (EBC) and analyze the possible reasons for the lack of EBC at the EC sites. To achieve these goals, we conducted a principal component analysis (PCA) and a climatological turbulent flux footprint analysis. The results show significant differences in the mean diurnal variations of the sensible heat (H) and latent heat (LE) fluxes, because of variations in the solar radiation, precipitation patterns, soil moisture, and the vegetation fraction throughout the year. LE was the main consumer of net radiation. Based on the first principal component (PC1), the radiation and temperature components with a total mean contribution of 29.5 and 41.3%, respectively, were found to be the main drivers of the turbulent fluxes at the study EC sites. A general lack of EBC is observed, where the energy imbalance values amount 35, 44, and 35% at the Fendt, Rottenbuch, and Graswang sites, respectively. An average energy balance ratio (EBR) of 0.65 is obtained in the region. The best closure occurred in the afternoon peaking shortly before sunset with a different pattern and intensity between the study sites. The size and shape of the annual mean half-hourly turbulent flux footprint climatology was analyzed. On average, 80% of the flux footprint was emitted from a radius of approximately 250 m around the EC stations. Moreover, the overall shape of the flux footprints was in good agreement with the prevailing wind direction for all three TERENO EC sites.

The Wavelet ToolKat: A set of tools for the analysis of series through wavelet transforms. Application to the channel curvature and the slope control of three free meandering rivers in the Amazon basin.

NASA Astrophysics Data System (ADS)

Vaudor, Lise; Piegay, Herve; Wawrzyniak, Vincent; Spitoni, Marie

2016-04-01

The form and functioning of a geomorphic system result from processes operating at various spatial and temporal scales. Longitudinal channel characteristics thus exhibit complex patterns which vary according to the scale of study, might be periodic or segmented, and are generally blurred by noise. Describing the intricate, multiscale structure of such signals, and identifying at which scales the patterns are dominant and over which sub-reach, could help determine at which scales they should be investigated, and provide insights into the main controlling factors. Wavelet transforms aim at describing data at multiple scales (either in time or space), and are now exploited in geophysics for the analysis of nonstationary series of data. They provide a consistent, non-arbitrary, and multiscale description of a signal's variations and help explore potential causalities. Nevertheless, their use in fluvial geomorphology, notably to study longitudinal patterns, is hindered by a lack of user-friendly tools to help understand, implement, and interpret them. We have developed a free application, The Wavelet ToolKat, designed to facilitate the use of wavelet transforms on temporal or spatial series. We illustrate its usefulness describing longitudinal channel curvature and slope of three freely meandering rivers in the Amazon basin (the Purus, Juruá and Madre de Dios rivers), using topographic data generated from NASA's Shuttle Radar Topography Mission (SRTM) in 2000. Three types of wavelet transforms are used, with different purposes. Continuous Wavelet Transforms are used to identify in a non-arbitrary way the dominant scales and locations at which channel curvature and slope vary. Cross-wavelet transforms, and wavelet coherence and phase are used to identify scales and locations exhibiting significant channel curvature and slope co-variations. Maximal Overlap Discrete Wavelet Transforms decompose data into their variations at a series of scales and are used to provide smoothed descriptions of the series at the scales deemed relevant.

A bioavailable strontium isoscape for Western Europe: A machine learning approach

PubMed Central

von Holstein, Isabella C. C.; Laffoon, Jason E.; Willmes, Malte; Liu, Xiao-Ming; Davies, Gareth R.

2018-01-01

Strontium isotope ratios (87Sr/86Sr) are gaining considerable interest as a geolocation tool and are now widely applied in archaeology, ecology, and forensic research. However, their application for provenance requires the development of baseline models predicting surficial 87Sr/86Sr variations (“isoscapes”). A variety of empirically-based and process-based models have been proposed to build terrestrial 87Sr/86Sr isoscapes but, in their current forms, those models are not mature enough to be integrated with continuous-probability surface models used in geographic assignment. In this study, we aim to overcome those limitations and to predict 87Sr/86Sr variations across Western Europe by combining process-based models and a series of remote-sensing geospatial products into a regression framework. We find that random forest regression significantly outperforms other commonly used regression and interpolation methods, and efficiently predicts the multi-scale patterning of 87Sr/86Sr variations by accounting for geological, geomorphological and atmospheric controls. Random forest regression also provides an easily interpretable and flexible framework to integrate different types of environmental auxiliary variables required to model the multi-scale patterning of 87Sr/86Sr variability. The method is transferable to different scales and resolutions and can be applied to the large collection of geospatial data available at local and global levels. The isoscape generated in this study provides the most accurate 87Sr/86Sr predictions in bioavailable strontium for Western Europe (R2 = 0.58 and RMSE = 0.0023) to date, as well as a conservative estimate of spatial uncertainty by applying quantile regression forest. We anticipate that the method presented in this study combined with the growing numbers of bioavailable 87Sr/86Sr data and satellite geospatial products will extend the applicability of the 87Sr/86Sr geo-profiling tool in provenance applications. PMID:29847595

A multi-scale spatial analysis of native and exotic plant species richness within a mixed-disturbance oak savanna landscape.

PubMed

Schetter, Timothy A; Walters, Timothy L; Root, Karen V

2013-09-01

Impacts of human land use pose an increasing threat to global biodiversity. Resource managers must respond rapidly to this threat by assessing existing natural areas and prioritizing conservation actions across multiple spatial scales. Plant species richness is a useful measure of biodiversity but typically can only be evaluated on small portions of a given landscape. Modeling relationships between spatial heterogeneity and species richness may allow conservation planners to make predictions of species richness patterns within unsampled areas. We utilized a combination of field data, remotely sensed data, and landscape pattern metrics to develop models of native and exotic plant species richness at two spatial extents (60- and 120-m windows) and at four ecological levels for northwestern Ohio's Oak Openings region. Multiple regression models explained 37-77 % of the variation in plant species richness. These models consistently explained more variation in exotic richness than in native richness. Exotic richness was better explained at the 120-m extent while native richness was better explained at the 60-m extent. Land cover composition of the surrounding landscape was an important component of all models. We found that percentage of human-modified land cover (negatively correlated with native richness and positively correlated with exotic richness) was a particularly useful predictor of plant species richness and that human-caused disturbances exert a strong influence on species richness patterns within a mixed-disturbance oak savanna landscape. Our results emphasize the importance of using a multi-scale approach to examine the complex relationships between spatial heterogeneity and plant species richness.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brizard, Alain J.; Tronci, Cesare

The variational formulations of guiding-center Vlasov-Maxwell theory based on Lagrange, Euler, and Euler-Poincaré variational principles are presented. Each variational principle yields a different approach to deriving guiding-center polarization and magnetization effects into the guiding-center Maxwell equations. The conservation laws of energy, momentum, and angular momentum are also derived by Noether method, where the guiding-center stress tensor is now shown to be explicitly symmetric.

Formulation of image quality prediction criteria for the Viking lander camera

NASA Technical Reports Server (NTRS)

Huck, F. O.; Jobson, D. J.; Taylor, E. J.; Wall, S. D.

1973-01-01

Image quality criteria are defined and mathematically formulated for the prediction computer program which is to be developed for the Viking lander imaging experiment. The general objective of broad-band (black and white) imagery to resolve small spatial details and slopes is formulated as the detectability of a right-circular cone with surface properties of the surrounding terrain. The general objective of narrow-band (color and near-infrared) imagery to observe spectral characteristics if formulated as the minimum detectable albedo variation. The general goal to encompass, but not exceed, the range of the scene radiance distribution within single, commandable, camera dynamic range setting is also considered.

An Alternate, Egg-Free Radiolabeled Meal Formulation for Gastric-Emptying Scintigraphy.

PubMed

Garrigue, Philippe; Bodin-Hullin, Aurore; Gonzalez, Sandra; Sala, Quentin; Guillet, Benjamin

2017-07-01

Tc-radiolabeled scrambled eggs (SEs) are most often used as the ingested solid phase for gastric-emptying scintigraphy, leading egg-reluctant patients to avoid the examination. We formulated and validated 2 egg-free alternate meals, in the absence of any commercialized formulation: chocolate mug cake (MC) and scrambled tofu (ST). Six healthy volunteers underwent gastric-emptying scintigraphy after ingesting Tc-radiolabeled MC, ST, or SE. Gastric retention indexes did not change significantly between formulations (% of overtime variation to SE: MC 7.75% ± 7.1%, ST 7.17% ± 5.8%; P = 0.6618, not statistically significant), suggesting MC and ST as interesting egg-free alternatives.

A nonreflecting upper boundary condition for anelastic nonhydrostatic mesoscale gravity-wave models

NASA Technical Reports Server (NTRS)

Kim, Young-Joon; Kar, Sajal K.; Arakawa, Akio

1993-01-01

A sponge layer is formulated to prevent spurious reflection of vertically propagating quasi-stationary gravity waves at the upper boundary of a two-dimensional numerical anelastic nonhydrostatic model. The sponge layer includes damping of both Newtonian-cooling type and Rayleigh-friction type, whose coefficients are determined in such a way that the reflectivity of wave energy at the bottom of the layer is zero. Unlike the formulations in earlier studies, our formulation includes the effects of vertical discretization, vertical mean density variation, and nonhydrostaticity. This sponge formulation is found effective in suppressing false downward reflection of waves for various types of quasi-stationary forcing.

Towards a Multiscale Approach to Cybersecurity Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hogan, Emilie A.; Hui, Peter SY; Choudhury, Sutanay

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 ofmore » 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.« less

Filters for Improvement of Multiscale Data from Atomistic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gardner, David J.; Reynolds, Daniel R.

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Filters for Improvement of Multiscale Data from Atomistic Simulations

DOE PAGES

Gardner, David J.; Reynolds, Daniel R.

2017-01-05

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Sensitivity of the model error parameter specification in weak-constraint four-dimensional variational data assimilation

NASA Astrophysics Data System (ADS)

Shaw, Jeremy A.; Daescu, Dacian N.

2017-08-01

This article presents the mathematical framework to evaluate the sensitivity of a forecast error aspect to the input parameters of a weak-constraint four-dimensional variational data assimilation system (w4D-Var DAS), extending the established theory from strong-constraint 4D-Var. Emphasis is placed on the derivation of the equations for evaluating the forecast sensitivity to parameters in the DAS representation of the model error statistics, including bias, standard deviation, and correlation structure. A novel adjoint-based procedure for adaptive tuning of the specified model error covariance matrix is introduced. Results from numerical convergence tests establish the validity of the model error sensitivity equations. Preliminary experiments providing a proof-of-concept are performed using the Lorenz multi-scale model to illustrate the theoretical concepts and potential benefits for practical applications.

Force Balance at the Magnetopause Determined with MMS: Application to Flux Transfer Events

NASA Technical Reports Server (NTRS)

Zhao, C.; Russell, C. T.; Strangeway, R. J.; Petrinec, S. M.; Paterson, W. R.; Zhou, M.; Anderson, B. J.; Baumjohann, W.; Bromund, K. R.; Chutter, M.;

Towards practical multiscale approach for analysis of reinforced concrete structures

NASA Astrophysics Data System (ADS)

Moyeda, Arturo; Fish, Jacob

2017-12-01

We present a novel multiscale approach for analysis of reinforced concrete structural elements that overcomes two major hurdles in utilization of multiscale technologies in practice: (1) coupling between material and structural scales due to consideration of large representative volume elements (RVE), and (2) computational complexity of solving complex nonlinear multiscale problems. The former is accomplished using a variant of computational continua framework that accounts for sizeable reinforced concrete RVEs by adjusting the location of quadrature points. The latter is accomplished by means of reduced order homogenization customized for structural elements. The proposed multiscale approach has been verified against direct numerical simulations and validated against experimental results.

Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows, I: Basic Theory

NASA Technical Reports Server (NTRS)

Sjoegreen, Bjoern; Yee, H. C.

2003-01-01

The objective of this paper is to extend our recently developed highly parallelizable nonlinear stable high order schemes for complex multiscale hydrodynamic applications to the viscous MHD equations. These schemes employed multiresolution wavelets as adaptive numerical dissipation controls t o limit the amount of and to aid the selection and/or blending of the appropriate types of dissipation to be used. The new scheme is formulated for both the conservative and non-conservative form of the MHD equations in curvilinear grids. The four advantages of the present approach over existing MHD schemes reported in the open literature are as follows. First, the scheme is constructed for long-time integrations of shock/turbulence/combustion MHD flows. Available schemes are too diffusive for long-time integrations and/or turbulence/combustion problems. Second, unlike exist- ing schemes for the conservative MHD equations which suffer from ill-conditioned eigen- decompositions, the present scheme makes use of a well-conditioned eigen-decomposition obtained from a minor modification of the eigenvectors of the non-conservative MHD equations t o solve the conservative form of the MHD equations. Third, this approach of using the non-conservative eigensystem when solving the conservative equations also works well in the context of standard shock-capturing schemes for the MHD equations. Fourth, a new approach to minimize the numerical error of the divergence-free magnetic condition for high order schemes is introduced. Numerical experiments with typical MHD model problems revealed the applicability of the newly developed schemes for the MHD equations.

Multiscale Modelling of the 2011 Tohoku Tsunami with Fluidity: Coastal Inundation and Run-up.

NASA Astrophysics Data System (ADS)

Hill, J.; Martin-Short, R.; Piggott, M. D.; Candy, A. S.

2014-12-01

Tsunami-induced flooding represents one of the most dangerous natural hazards to coastal communities around the world, as exemplified by Tohoku tsunami of March 2011. In order to further understand this hazard and to design appropriate mitigation it is necessary to develop versatile, accurate software capable of simulating large scale tsunami propagation and interaction with coastal geomorphology on a local scale. One such software package is Fluidity, an open source, finite element, multiscale, code that is capable of solving the fully three dimensional Navier-Stokes equations on unstructured meshes. Such meshes are significantly better at representing complex coastline shapes than structured meshes and have the advantage of allowing variation in element size across a domain. Furthermore, Fluidity incorporates a novel wetting and drying algorithm, which enables accurate, efficient simulation of tsunami run-up over complex, multiscale, topography. Fluidity has previously been demonstrated to accurately simulate the 2011 Tohoku tsunami (Oishi et al 2013) , but its wetting and drying facility has not yet been tested on a geographical scale. This study makes use of Fluidity to simulate the 2011 Tohoku tsunami and its interaction with Japan's eastern shoreline, including coastal flooding. The results are validated against observations made by survey teams, aerial photographs and previous modelling efforts in order to evaluate Fluidity's current capabilities and suggest methods of future improvement. The code is shown to perform well at simulating flooding along the topographically complex Tohoku coast of Japan, with major deviations between model and observation arising mainly due to limitations imposed by bathymetry resolution, which could be improved in future. In theory, Fluidity is capable of full multiscale tsunami modelling, thus enabling researchers to understand both wave propagation across ocean basins and flooding of coastal landscapes down to interaction with individual defence structures. This makes the code an exciting candidate for use in future studies aiming to investigate tsunami risk elsewhere in the world. Oishi, Y. et al. Three-dimensional tsunami propagation simulations using an unstructured mesh finite element model. J. Geophys. Res. [Solid Earth] 118, 2998-3018 (2013).

Multivariate and Multiscale Data Assimilation in Terrestrial Systems: A Review

PubMed Central

Montzka, Carsten; Pauwels, Valentijn R. N.; Franssen, Harrie-Jan Hendricks; Han, Xujun; Vereecken, Harry

2012-01-01

More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA) methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF), Particle Filter (PF) and variational methods (3/4D-VAR). In this review, we distinguish between four major DA approaches: (1) univariate single-scale DA (UVSS), which is the approach used in the majority of published DA applications, (2) univariate multiscale DA (UVMS) referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3) multivariate single-scale DA (MVSS) dealing with the assimilation of at least two different data types, and (4) combined multivariate multiscale DA (MVMS). Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a simulation model. Existing approaches can be used to simultaneously update several model states and model parameters if applicable. In other words, the basic principles for multivariate data assimilation are already available. We argue that a better understanding of the measurement errors for different observation types, improved estimates of observation bias and improved multiscale assimilation methods for data which scale nonlinearly is important to properly weight them in multiscale multivariate data assimilation. In this context, improved cross-validation of different data types, and increased ground truth verification of remote sensing products are required. PMID:23443380

Multivariate and multiscale data assimilation in terrestrial systems: a review.

PubMed

Montzka, Carsten; Pauwels, Valentijn R N; Franssen, Harrie-Jan Hendricks; Han, Xujun; Vereecken, Harry

2012-11-26

More and more terrestrial observational networks are being established to monitor climatic, hydrological and land-use changes in different regions of the World. In these networks, time series of states and fluxes are recorded in an automated manner, often with a high temporal resolution. These data are important for the understanding of water, energy, and/or matter fluxes, as well as their biological and physical drivers and interactions with and within the terrestrial system. Similarly, the number and accuracy of variables, which can be observed by spaceborne sensors, are increasing. Data assimilation (DA) methods utilize these observations in terrestrial models in order to increase process knowledge as well as to improve forecasts for the system being studied. The widely implemented automation in observing environmental states and fluxes makes an operational computation more and more feasible, and it opens the perspective of short-time forecasts of the state of terrestrial systems. In this paper, we review the state of the art with respect to DA focusing on the joint assimilation of observational data precedents from different spatial scales and different data types. An introduction is given to different DA methods, such as the Ensemble Kalman Filter (EnKF), Particle Filter (PF) and variational methods (3/4D-VAR). In this review, we distinguish between four major DA approaches: (1) univariate single-scale DA (UVSS), which is the approach used in the majority of published DA applications, (2) univariate multiscale DA (UVMS) referring to a methodology which acknowledges that at least some of the assimilated data are measured at a different scale than the computational grid scale, (3) multivariate single-scale DA (MVSS) dealing with the assimilation of at least two different data types, and (4) combined multivariate multiscale DA (MVMS). Finally, we conclude with a discussion on the advantages and disadvantages of the assimilation of multiple data types in a simulation model. Existing approaches can be used to simultaneously update several model states and model parameters if applicable. In other words, the basic principles for multivariate data assimilation are already available. We argue that a better understanding of the measurement errors for different observation types, improved estimates of observation bias and improved multiscale assimilation methods for data which scale nonlinearly is important to properly weight them in multiscale multivariate data assimilation. In this context, improved cross-validation of different data types, and increased ground truth verification of remote sensing products are required.

Multiscale Materials Modeling Workshop Summary

DOT National Transportation Integrated Search

2013-12-01

This report summarizes a 2-day workshop held to share information on multiscale material modeling. The aim was to gain expert feedback on the state of the art and identify Exploratory Advanced Research (EAR) Program opportunities for multiscale mater...

Multiplex lithography for multilevel multiscale architectures and its application to polymer electrolyte membrane fuel cell

NASA Astrophysics Data System (ADS)

Cho, Hyesung; Moon Kim, Sang; Sik Kang, Yun; Kim, Junsoo; Jang, Segeun; Kim, Minhyoung; Park, Hyunchul; Won Bang, Jung; Seo, Soonmin; Suh, Kahp-Yang; Sung, Yung-Eun; Choi, Mansoo

2015-09-01

The production of multiscale architectures is of significant interest in materials science, and the integration of those structures could provide a breakthrough for various applications. Here we report a simple yet versatile strategy that allows for the LEGO-like integrations of microscale membranes by quantitatively controlling the oxygen inhibition effects of ultraviolet-curable materials, leading to multilevel multiscale architectures. The spatial control of oxygen concentration induces different curing contrasts in a resin allowing the selective imprinting and bonding at different sides of a membrane, which enables LEGO-like integration together with the multiscale pattern formation. Utilizing the method, the multilevel multiscale Nafion membranes are prepared and applied to polymer electrolyte membrane fuel cell. Our multiscale membrane fuel cell demonstrates significant enhancement of performance while ensuring mechanical robustness. The performance enhancement is caused by the combined effect of the decrease of membrane resistance and the increase of the electrochemical active surface area.

A complete categorization of multiscale models of infectious disease systems.

PubMed

Garira, Winston

2017-12-01

Modelling of infectious disease systems has entered a new era in which disease modellers are increasingly turning to multiscale modelling to extend traditional modelling frameworks into new application areas and to achieve higher levels of detail and accuracy in characterizing infectious disease systems. In this paper we present a categorization framework for categorizing multiscale models of infectious disease systems. The categorization framework consists of five integration frameworks and five criteria. We use the categorization framework to give a complete categorization of host-level immuno-epidemiological models (HL-IEMs). This categorization framework is also shown to be applicable in categorizing other types of multiscale models of infectious diseases beyond HL-IEMs through modifying the initial categorization framework presented in this study. Categorization of multiscale models of infectious disease systems in this way is useful in bringing some order to the discussion on the structure of these multiscale models.

A numerical method for electro-kinetic flow with deformable fluid interfaces

NASA Astrophysics Data System (ADS)

Booty, Michael; Ma, Manman; Siegel, Michael

2013-11-01

We consider two-phase flow of ionic fluids whose motion is driven by an imposed electric field. At a fluid interface, a screening cloud of ions develops and forms an electro-chemical double layer or Debye layer. The imposed field acts on this induced charge distribution, resulting in a strong slip flow near the interface. We formulate a ``hybrid'' or multiscale numerical method in the thin Debye layer limit that incorporates an asymptotic analysis of the electrostatic potential and fluid dynamics in the Debye layer into a boundary integral solution of the full moving boundary problem. Results of the method are presented that show time-dependent deformation and steady state drop interface shapes when the timescale for charge-up of the Debye layer is either much less than or comparable to the timescale of the flow.

A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media

NASA Astrophysics Data System (ADS)

Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.

2017-12-01

Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.

Alternative transitions between existing representations in multi-scale maps

NASA Astrophysics Data System (ADS)

Dumont, Marion; Touya, Guillaume; Duchêne, Cécile

2018-05-01

Map users may have issues to achieve multi-scale navigation tasks, as cartographic objects may have various representations across scales. We assume that adding intermediate representations could be one way to reduce the differences between existing representations, and to ease the transitions across scales. We consider an existing multiscale map on the scale range from 1 : 25k to 1 : 100k scales. Based on hypotheses about intermediate representations design, we build custom multi-scale maps with alternative transitions. We will conduct in a next future a user evaluation to compare the efficiency of these alternative maps for multi-scale navigation. This paper discusses the hypotheses and production process of these alternative maps.

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE PAGES

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

2018-03-27

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

Construction of multi-scale consistent brain networks: methods and applications.

PubMed

Ge, Bao; Tian, Yin; Hu, Xintao; Chen, Hanbo; Zhu, Dajiang; Zhang, Tuo; Han, Junwei; Guo, Lei; Liu, Tianming

2015-01-01

Mapping human brain networks provides a basis for studying brain function and dysfunction, and thus has gained significant interest in recent years. However, modeling human brain networks still faces several challenges including constructing networks at multiple spatial scales and finding common corresponding networks across individuals. As a consequence, many previous methods were designed for a single resolution or scale of brain network, though the brain networks are multi-scale in nature. To address this problem, this paper presents a novel approach to constructing multi-scale common structural brain networks from DTI data via an improved multi-scale spectral clustering applied on our recently developed and validated DICCCOLs (Dense Individualized and Common Connectivity-based Cortical Landmarks). Since the DICCCOL landmarks possess intrinsic structural correspondences across individuals and populations, we employed the multi-scale spectral clustering algorithm to group the DICCCOL landmarks and their connections into sub-networks, meanwhile preserving the intrinsically-established correspondences across multiple scales. Experimental results demonstrated that the proposed method can generate multi-scale consistent and common structural brain networks across subjects, and its reproducibility has been verified by multiple independent datasets. As an application, these multi-scale networks were used to guide the clustering of multi-scale fiber bundles and to compare the fiber integrity in schizophrenia and healthy controls. In general, our methods offer a novel and effective framework for brain network modeling and tract-based analysis of DTI data.

Integrating multi-scale data to create a virtual physiological mouse heart.

PubMed

Land, Sander; Niederer, Steven A; Louch, William E; Sejersted, Ole M; Smith, Nicolas P

2013-04-06

While the virtual physiological human (VPH) project has made great advances in human modelling, many of the tools and insights developed as part of this initiative are also applicable for facilitating mechanistic understanding of the physiology of a range of other species. This process, in turn, has the potential to provide human relevant insights via a different scientific path. Specifically, the increasing use of mice in experimental research, not yet fully complemented by a similar increase in computational modelling, is currently missing an important opportunity for using and interpreting this growing body of experimental data to improve our understanding of cardiac function. This overview describes our work to address this issue by creating a virtual physiological mouse model of the heart. We describe the similarities between human- and mouse-focused modelling, including the reuse of VPH tools, and the development of methods for investigating parameter sensitivity that are applicable across species. We show how previous results using this approach have already provided important biological insights, and how these can also be used to advance VPH heart models. Finally, we show an example application of this approach to test competing multi-scale hypotheses by investigating variations in length-dependent properties of cardiac muscle.

Integrating multi-scale data to create a virtual physiological mouse heart

PubMed Central

Land, Sander; Niederer, Steven A.; Louch, William E.; Sejersted, Ole M.; Smith, Nicolas P.

2013-01-01

While the virtual physiological human (VPH) project has made great advances in human modelling, many of the tools and insights developed as part of this initiative are also applicable for facilitating mechanistic understanding of the physiology of a range of other species. This process, in turn, has the potential to provide human relevant insights via a different scientific path. Specifically, the increasing use of mice in experimental research, not yet fully complemented by a similar increase in computational modelling, is currently missing an important opportunity for using and interpreting this growing body of experimental data to improve our understanding of cardiac function. This overview describes our work to address this issue by creating a virtual physiological mouse model of the heart. We describe the similarities between human- and mouse-focused modelling, including the reuse of VPH tools, and the development of methods for investigating parameter sensitivity that are applicable across species. We show how previous results using this approach have already provided important biological insights, and how these can also be used to advance VPH heart models. Finally, we show an example application of this approach to test competing multi-scale hypotheses by investigating variations in length-dependent properties of cardiac muscle. PMID:24427525

Applications of multiscale change point detections to monthly stream flow and rainfall in Xijiang River in southern China, part I: correlation and variance

NASA Astrophysics Data System (ADS)

Zhu, Yuxiang; Jiang, Jianmin; Huang, Changxing; Chen, Yongqin David; Zhang, Qiang

2018-04-01

This article, as part I, introduces three algorithms and applies them to both series of the monthly stream flow and rainfall in Xijiang River, southern China. The three algorithms include (1) normalization of probability distribution, (2) scanning U test for change points in correlation between two time series, and (3) scanning F-test for change points in variances. The normalization algorithm adopts the quantile method to normalize data from a non-normal into the normal probability distribution. The scanning U test and F-test have three common features: grafting the classical statistics onto the wavelet algorithm, adding corrections for independence into each statistic criteria at given confidence respectively, and being almost objective and automatic detection on multiscale time scales. In addition, the coherency analyses between two series are also carried out for changes in variance. The application results show that the changes of the monthly discharge are still controlled by natural precipitation variations in Xijiang's fluvial system. Human activities disturbed the ecological balance perhaps in certain content and in shorter spells but did not violate the natural relationships of correlation and variance changes so far.

Hamiltonian formulation of the KdV equation

NASA Astrophysics Data System (ADS)

Nutku, Y.

1984-06-01

We consider the canonical formulation of Whitham's variational principle for the KdV equation. This Lagrangian is degenerate and we have found it necessary to use Dirac's theory of constrained systems in constructing the Hamiltonian. Earlier discussions of the Hamiltonian structure of the KdV equation were based on various different decompositions of the field which is avoided by this new approach.

Modeling multi-scale aerosol dynamics and micro-environmental air quality near a large highway intersection using the CTAG model.

PubMed

Wang, Yan Jason; Nguyen, Monica T; Steffens, Jonathan T; Tong, Zheming; Wang, Yungang; Hopke, Philip K; Zhang, K Max

2013-01-15

A new methodology, referred to as the multi-scale structure, integrates "tailpipe-to-road" (i.e., on-road domain) and "road-to-ambient" (i.e., near-road domain) simulations to elucidate the environmental impacts of particulate emissions from traffic sources. The multi-scale structure is implemented in the CTAG model to 1) generate process-based on-road emission rates of ultrafine particles (UFPs) by explicitly simulating the effects of exhaust properties, traffic conditions, and meteorological conditions and 2) to characterize the impacts of traffic-related emissions on micro-environmental air quality near a highway intersection in Rochester, NY. The performance of CTAG, evaluated against with the field measurements, shows adequate agreement in capturing the dispersion of carbon monoxide (CO) and the number concentrations of UFPs in the near road micro-environment. As a proof-of-concept case study, we also apply CTAG to separate the relative impacts of the shutdown of a large coal-fired power plant (CFPP) and the adoption of the ultra-low-sulfur diesel (ULSD) on UFP concentrations in the intersection micro-environment. Although CTAG is still computationally expensive compared to the widely-used parameterized dispersion models, it has the potential to advance our capability to predict the impacts of UFP emissions and spatial/temporal variations of air pollutants in complex environments. Furthermore, for the on-road simulations, CTAG can serve as a process-based emission model; Combining the on-road and near-road simulations, CTAG becomes a "plume-in-grid" model for mobile emissions. The processed emission profiles can potentially improve regional air quality and climate predictions accordingly. Copyright © 2012 Elsevier B.V. All rights reserved.

The effect of modified Blalock-Taussig shunt size and coarctation severity on coronary perfusion after the Norwood operation.

PubMed

Corsini, Chiara; Biglino, Giovanni; Schievano, Silvia; Hsia, Tain-Yen; Migliavacca, Francesco; Pennati, Giancarlo; Taylor, Andrew M

2014-08-01

The size of the modified Blalock-Taussig shunt and the additional presence of aortic coarctation can affect the hemodynamics of the Norwood physiology. Multiscale modeling was used to gather insight into the effects of these variables, in particular on coronary perfusion. A model was reconstructed from cardiac magnetic resonance imaging data of a representative patient, and then simplified with computer-aided design software. Changes were systematically imposed to the semi-idealized three-dimensional model, resulting in a family of nine models (3-, 3.5-, and 4-mm shunt diameter; 0%, 60%, and 90% coarctation severity). Each model was coupled to a lumped parameter network representing the remainder of the circulation to run multiscale simulations. Simulations were repeated including the effect of preserved cerebral perfusion. The concomitant presence of a large shunt and tight coarctation was detrimental in terms of coronary perfusion (13.4% maximal reduction, 1.07 versus 0.927 mL/s) and oxygen delivery (29% maximum reduction, 422 versus 300 mL·min(-1)·m(-2)). A variation in the ratio of pulmonary to systemic blood flow from 0.9 to 1.6 also indicated a "stealing" phenomenon to the detriment of the coronary circulation. A difference could be further appreciated in the computational ventricular pressure-volume loops, with augmented systolic pressures and decreased stroke volumes for tighter coarctation. Accounting for constant cerebral perfusion did not produce substantially different results. Multiscale simulations performed in a parametric fashion revealed a reduction in coronary perfusion in the presence of a large modified Blalock-Taussig shunt and severe coarctation in Norwood patients. Copyright © 2014 The Society of Thoracic Surgeons. Published by Elsevier Inc. All rights reserved.

Influences of the land use pattern on water quality in low-order streams of the Dongjiang River basin, China: A multi-scale analysis.

PubMed

Ding, Jiao; Jiang, Yuan; Liu, Qi; Hou, Zhaojiang; Liao, Jianyu; Fu, Lan; Peng, Qiuzhi

2016-05-01

Understanding the relationships between land use patterns and water quality in low-order streams is useful for effective landscape planning to protect downstream water quality. A clear understanding of these relationships remains elusive due to the heterogeneity of land use patterns and scale effects. To better assess land use influences, we developed empirical models relating land use patterns to the water quality of low-order streams at different geomorphic regions across multi-scales in the Dongjiang River basin using multivariate statistical analyses. The land use pattern was quantified in terms of the composition, configuration and hydrological distance of land use types at the reach buffer, riparian corridor and catchment scales. Water was sampled under summer base flow at 56 low-order catchments, which were classified into two homogenous geomorphic groups. The results indicated that the water quality of low-order streams was most strongly affected by the configuration metrics of land use. Poorer water quality was associated with higher patch densities of cropland, orchards and grassland in the mountain catchments, whereas it was associated with a higher value for the largest patch index of urban land use in the plain catchments. The overall water quality variation was explained better by catchment scale than by riparian- or reach-scale land use, whereas the spatial scale over which land use influenced water quality also varied across specific water parameters and the geomorphic basis. Our study suggests that watershed management should adopt better landscape planning and multi-scale measures to improve water quality. Copyright © 2016 Elsevier B.V. All rights reserved.

Mixed variational formulations of finite element analysis of elastoacoustic/slosh fluid-structure interaction

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Ohayon, Roger

1991-01-01

A general three-field variational principle is obtained for the motion of an acoustic fluid enclosed in a rigid or flexible container by the method of canonical decomposition applied to a modified form of the wave equation in the displacement potential. The general principle is specialized to a mixed two-field principle that contains the fluid displacement potential and pressure as independent fields. This principle contains a free parameter alpha. Semidiscrete finite-element equations of motion based on this principle are displayed and applied to the transient response and free-vibrations of the coupled fluid-structure problem. It is shown that a particular setting of alpha yields a rich set of formulations that can be customized to fit physical and computational requirements. The variational principle is then extended to handle slosh motions in a uniform gravity field, and used to derive semidiscrete equations of motion that account for such effects.

Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

NASA Astrophysics Data System (ADS)

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 scales and inter-compared. Comparisons are drawn in terms of velocity distributions, solute transport behavior, algorithm-induced numerical error and computing cost. The intercomparison work provides support for confidence in a variety of hybrid multiscale methods and motivates further development and applications.

Direct formulation of a 4-node hybrid shell element with rotational degrees of freedom

NASA Technical Reports Server (NTRS)

Aminpour, Mohammad A.

1990-01-01

A simple 4-node assumed-stress hybrid quadrilateral shell element with rotational or drilling degrees of freedom is formulated. The element formulation is based directly on a 4-node element. This direct formulation requires fewer computations than a similar element that is derived from an internal 8-node isoparametric element in which the midside degrees of freedom are eliminated in favor of rotational degree of freedom at the corner nodes. The formulation is based on the principle of minimum complementary energy. The membrane part of the element has 12 degrees of freedom including rotational degrees of freedom. The bending part of the element also has 12 degrees of freedom. The bending part of the quadratic variations for both in-plane and out-of-plane displacement fields and linear variations for both in-plane and out-of-plane rotation fields are assumed along the edges of the element. The element Cartesian-coordinate system is chosen such as to make the stress field invariant with respect to node numbering. The membrane part of the stress field is based on a 9-parameter equilibrating stress field, while the bending part is based on a 13-parameter equilibrating stress field. The element passes the patch test, is nearly insensitive to mesh distortion, does not lock, possesses the desirable invariance properties, has no spurious modes, and produces accurate and reliable results.

Continuum theory of edge states of topological insulators: variational principle and boundary conditions.

PubMed

Medhi, Amal; Shenoy, Vijay B

2012-09-05

We develop a continuum theory to model low energy excitations of a generic four-band time reversal invariant electronic system with boundaries. We propose a variational energy functional for the wavefunctions which allows us to derive natural boundary conditions valid for such systems. Our formulation is particularly suited for developing a continuum theory of the protected edge/surface excitations of topological insulators both in two and three dimensions. By a detailed comparison of our analytical formulation with tight binding calculations of ribbons of topological insulators modelled by the Bernevig-Hughes-Zhang (BHZ) Hamiltonian, we show that the continuum theory with a natural boundary condition provides an appropriate description of the low energy physics.

Stress path dependent hydromechanical behaviour of heterogeneous carbonate rock

NASA Astrophysics Data System (ADS)

Gland, N.; Dautriat, J.; Dimanov, A.; Raphanel, J.

2010-06-01

The influence of stress paths, representative of reservoir conditions, on the hydromechanical behavior of a moderately heterogeneous carbonate has been investigated. Multiscale structural heterogeneities, common for instance in carbonate rocks, can strongly alter the mechanical response and significantly influence the evolution of flow properties with stress. Using a triaxial cell, the permeability evolutions during compression and the effects of brittle (fracture) and plastic (pore collapse) deformations at yield, were measured. A strong scattering was observed on the mechanical response both in term of compressibility and failure threshold. Using the porosity scaling predicted by an adapted effective medium theory (based on crack growth under Hertzian contact), we have rescaled the critical pressures by the normalized porosity deviation. This procedure reduces efficiently the scattering, revealing in the framework of proportional stress path loading, a linear relation between the critical pressures and the stress path parameter through all the deformation regimes. It leads to a new formulation for the critical state envelope in the 'mean stress, deviatoric stress' diagram. The attractive feature of this new yield envelope formulation relies on the fact that only the two most common different mechanical tests 'Uniaxial Compression' and 'Hydrostatic Compression', are needed to define entirely the yield envelope. Volumic strains and normalized permeabilities are finally mapped in the stresses diagram and correlated.

Relaxation model for extended magnetohydrodynamics: Comparison to magnetohydrodynamics for dense Z-pinches

DOE PAGES

Seyler, C. E.; Martin, M. R.

2011-01-14

In this study, it is shown that the two-fluid model under a generalized Ohm’s law formulation and the resistive magnetohydrodynamics (MHD) can both be described as relaxation systems. In the relaxation model, the under-resolved stiff source terms constrain the dynamics of a set of hyperbolic equations to give the correct asymptotic solution. When applied to the collisional two-fluid model, the relaxation of fast time scales associated with displacement current and finite electron mass allows for a natural transition from a system where Ohm’s law determines the current density to a system where Ohm’s law determines the electric field. This resultmore » is used to derive novel algorithms, which allow for multiscale simulation of low and high frequency extended-MHD physics. This relaxation formulation offers an efficient way to implicitly advance the Hall term and naturally simulate a plasma-vacuum interface without invoking phenomenological models. The relaxation model is implemented as an extended-MHD code, which is used to analyze pulsed power loads such as wire arrays and ablating foils. Two-dimensional simulations of pulsed power loads are compared for extended-MHD and MHD. For these simulations, it is also shown that the relaxation model properly recovers the resistive-MHD limit.« less

An approach to multiscale modelling with graph grammars.

PubMed

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-09-01

Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.

An approach to multiscale modelling with graph grammars

PubMed Central

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-01-01

Background and Aims Functional–structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. Methods A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Key Results Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. Conclusions The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models. PMID:25134929

Multi-Scale Models for the Scale Interaction of Organized Tropical Convection

NASA Astrophysics Data System (ADS)

Yang, Qiu

Assessing the upscale impact of organized tropical convection from small spatial and temporal scales is a research imperative, not only for having a better understanding of the multi-scale structures of dynamical and convective fields in the tropics, but also for eventually helping in the design of new parameterization strategies to improve the next-generation global climate models. Here self-consistent multi-scale models are derived systematically by following the multi-scale asymptotic methods and used to describe the hierarchical structures of tropical atmospheric flows. The advantages of using these multi-scale models lie in isolating the essential components of multi-scale interaction and providing assessment of the upscale impact of the small-scale fluctuations onto the large-scale mean flow through eddy flux divergences of momentum and temperature in a transparent fashion. Specifically, this thesis includes three research projects about multi-scale interaction of organized tropical convection, involving tropical flows at different scaling regimes and utilizing different multi-scale models correspondingly. Inspired by the observed variability of tropical convection on multiple temporal scales, including daily and intraseasonal time scales, the goal of the first project is to assess the intraseasonal impact of the diurnal cycle on the planetary-scale circulation such as the Hadley cell. As an extension of the first project, the goal of the second project is to assess the intraseasonal impact of the diurnal cycle over the Maritime Continent on the Madden-Julian Oscillation. In the third project, the goals are to simulate the baroclinic aspects of the ITCZ breakdown and assess its upscale impact on the planetary-scale circulation over the eastern Pacific. These simple multi-scale models should be useful to understand the scale interaction of organized tropical convection and help improve the parameterization of unresolved processes in global climate models.

Novel Multiscale Modeling Tool Applied to Pseudomonas aeruginosa Biofilm Formation

PubMed Central

Biggs, Matthew B.; Papin, Jason A.

2013-01-01

Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet) as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM) and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool. PMID:24147108

Novel multiscale modeling tool applied to Pseudomonas aeruginosa biofilm formation.

PubMed

Biggs, Matthew B; Papin, Jason A

2013-01-01

Multiscale modeling is used to represent biological systems with increasing frequency and success. Multiscale models are often hybrids of different modeling frameworks and programming languages. We present the MATLAB-NetLogo extension (MatNet) as a novel tool for multiscale modeling. We demonstrate the utility of the tool with a multiscale model of Pseudomonas aeruginosa biofilm formation that incorporates both an agent-based model (ABM) and constraint-based metabolic modeling. The hybrid model correctly recapitulates oxygen-limited biofilm metabolic activity and predicts increased growth rate via anaerobic respiration with the addition of nitrate to the growth media. In addition, a genome-wide survey of metabolic mutants and biofilm formation exemplifies the powerful analyses that are enabled by this computational modeling tool.

Community effort endorsing multiscale modelling, multiscale data science and multiscale computing for systems medicine.

PubMed

Zanin, Massimiliano; Chorbev, Ivan; Stres, Blaz; Stalidzans, Egils; Vera, Julio; Tieri, Paolo; Castiglione, Filippo; Groen, Derek; Zheng, Huiru; Baumbach, Jan; Schmid, Johannes A; Basilio, José; Klimek, Peter; Debeljak, Nataša; Rozman, Damjana; Schmidt, Harald H H W

2017-12-05

Systems medicine holds many promises, but has so far provided only a limited number of proofs of principle. To address this road block, possible barriers and challenges of translating systems medicine into clinical practice need to be identified and addressed. The members of the European Cooperation in Science and Technology (COST) Action CA15120 Open Multiscale Systems Medicine (OpenMultiMed) wish to engage the scientific community of systems medicine and multiscale modelling, data science and computing, to provide their feedback in a structured manner. This will result in follow-up white papers and open access resources to accelerate the clinical translation of systems medicine. © The Author 2017. Published by Oxford University Press.

Performance of distributed multiscale simulations

PubMed Central

Borgdorff, J.; Ben Belgacem, M.; Bona-Casas, C.; Fazendeiro, L.; Groen, D.; Hoenen, O.; Mizeranschi, A.; Suter, J. L.; Coster, D.; Coveney, P. V.; Dubitzky, W.; Hoekstra, A. G.; Strand, P.; Chopard, B.

2014-01-01

Multiscale simulations model phenomena across natural scales using monolithic or component-based code, running on local or distributed resources. In this work, we investigate the performance of distributed multiscale computing of component-based models, guided by six multiscale applications with different characteristics and from several disciplines. Three modes of distributed multiscale computing are identified: supplementing local dependencies with large-scale resources, load distribution over multiple resources, and load balancing of small- and large-scale resources. We find that the first mode has the apparent benefit of increasing simulation speed, and the second mode can increase simulation speed if local resources are limited. Depending on resource reservation and model coupling topology, the third mode may result in a reduction of resource consumption. PMID:24982258

Progression to multi-scale models and the application to food system intervention strategies.

PubMed

Gröhn, Yrjö T

2015-02-01

The aim of this article is to discuss how the systems science approach can be used to optimize intervention strategies in food animal systems. It advocates the idea that the challenges of maintaining a safe food supply are best addressed by integrating modeling and mathematics with biological studies critical to formulation of public policy to address these challenges. Much information on the biology and epidemiology of food animal systems has been characterized through single-discipline methods, but until now this information has not been thoroughly utilized in a fully integrated manner. The examples are drawn from our current research. The first, explained in depth, uses clinical mastitis to introduce the concept of dynamic programming to optimize management decisions in dairy cows (also introducing the curse of dimensionality problem). In the second example, a compartmental epidemic model for Johne's disease with different intervention strategies is optimized. The goal of the optimization strategy depends on whether there is a relationship between Johne's and Crohn's disease. If so, optimization is based on eradication of infection; if not, it is based on the cow's performance only (i.e., economic optimization, similar to the mastitis example). The third example focuses on food safety to introduce risk assessment using Listeria monocytogenes and Salmonella Typhimurium. The last example, practical interventions to effectively manage antibiotic resistance in beef and dairy cattle systems, introduces meta-population modeling that accounts for bacterial growth not only in the host (cow), but also in the cow's feed, drinking water and the housing environment. Each example stresses the need to progress toward multi-scale modeling. The article ends with examples of multi-scale systems, from food supply systems to Johne's disease. Reducing the consequences of foodborne illnesses (i.e., minimizing disease occurrence and associated costs) can only occur through an understanding of the system as a whole, including all its complexities. Thus the goal of future research should be to merge disciplines such as molecular biology, applied mathematics and social sciences to gain a better understanding of complex systems such as the food supply chain. Copyright © 2014 Elsevier B.V. All rights reserved.

The pH-dependent elastic properties of nanoscale DNA films and the resultant bending signals for microcantilever biosensors.

PubMed

Zhou, Mei-Hong; Meng, Wei-Lie; Zhang, Cheng-Yin; Li, Xiao-Bin; Wu, Jun-Zheng; Zhang, Neng-Hui

2018-04-25

The diverse mechanical properties of nanoscale DNA films on solid substrates have a close correlation with complex detection signals of micro-/nano-devices. This paper is devoted to formulating several multiscale models to study the effect of pH-dependent ionic inhomogeneity on the graded elastic properties of nanoscale DNA films and the resultant bending deflections of microcantilever biosensors. First, a modified inverse Debye length is introduced to improve the classical Poisson-Boltzmann equation for the electrical potential of DNA films to consider the inhomogeneous effect of hydrogen ions. Second, the graded characteristics of the particle distribution are taken into consideration for an improvement in Parsegian's mesoscopic potential for both attraction-dominated and repulsion-dominated films. Third, by the improved interchain interaction potential and the thought experiment about the compression of a macroscopic continuum DNA bar, we investigate the diversity of the elastic properties of single-stranded DNA (ssDNA) films due to pH variations. The relevant theoretical predictions quantitatively or qualitatively agree well with the relevant DNA experiments on the electrical potential, film thickness, condensation force, elastic modulus, and microcantilever deflections. The competition between attraction and repulsion among the fixed charges and the free ions endows the DNA film with mechanical properties such as a remarkable size effect and a non-monotonic behavior, and a negative elastic modulus is first revealed in the attraction-dominated ssDNA film. There exists a transition between the pH-sensitive parameter interval and the pH-insensitive one for the bending signals of microcantilevers, which is predominated by the initial stress effect in the DNA film.

How can model comparison help improving species distribution models?

PubMed

Gritti, Emmanuel Stephan; Gaucherel, Cédric; Crespo-Perez, Maria-Veronica; Chuine, Isabelle

2013-01-01

Today, more than ever, robust projections of potential species range shifts are needed to anticipate and mitigate the impacts of climate change on biodiversity and ecosystem services. Such projections are so far provided almost exclusively by correlative species distribution models (correlative SDMs). However, concerns regarding the reliability of their predictive power are growing and several authors call for the development of process-based SDMs. Still, each of these methods presents strengths and weakness which have to be estimated if they are to be reliably used by decision makers. In this study we compare projections of three different SDMs (STASH, LPJ and PHENOFIT) that lie in the continuum between correlative models and process-based models for the current distribution of three major European tree species, Fagussylvatica L., Quercusrobur L. and Pinussylvestris L. We compare the consistency of the model simulations using an innovative comparison map profile method, integrating local and multi-scale comparisons. The three models simulate relatively accurately the current distribution of the three species. The process-based model performs almost as well as the correlative model, although parameters of the former are not fitted to the observed species distributions. According to our simulations, species range limits are triggered, at the European scale, by establishment and survival through processes primarily related to phenology and resistance to abiotic stress rather than to growth efficiency. The accuracy of projections of the hybrid and process-based model could however be improved by integrating a more realistic representation of the species resistance to water stress for instance, advocating for pursuing efforts to understand and formulate explicitly the impact of climatic conditions and variations on these processes.

How Can Model Comparison Help Improving Species Distribution Models?

PubMed Central

Gritti, Emmanuel Stephan; Gaucherel, Cédric; Crespo-Perez, Maria-Veronica; Chuine, Isabelle

2013-01-01

Today, more than ever, robust projections of potential species range shifts are needed to anticipate and mitigate the impacts of climate change on biodiversity and ecosystem services. Such projections are so far provided almost exclusively by correlative species distribution models (correlative SDMs). However, concerns regarding the reliability of their predictive power are growing and several authors call for the development of process-based SDMs. Still, each of these methods presents strengths and weakness which have to be estimated if they are to be reliably used by decision makers. In this study we compare projections of three different SDMs (STASH, LPJ and PHENOFIT) that lie in the continuum between correlative models and process-based models for the current distribution of three major European tree species, Fagus sylvatica L., Quercus robur L. and Pinus sylvestris L. We compare the consistency of the model simulations using an innovative comparison map profile method, integrating local and multi-scale comparisons. The three models simulate relatively accurately the current distribution of the three species. The process-based model performs almost as well as the correlative model, although parameters of the former are not fitted to the observed species distributions. According to our simulations, species range limits are triggered, at the European scale, by establishment and survival through processes primarily related to phenology and resistance to abiotic stress rather than to growth efficiency. The accuracy of projections of the hybrid and process-based model could however be improved by integrating a more realistic representation of the species resistance to water stress for instance, advocating for pursuing efforts to understand and formulate explicitly the impact of climatic conditions and variations on these processes. PMID:23874779

An optimized algorithm for multiscale wideband deconvolution of radio astronomical images

NASA Astrophysics Data System (ADS)

Offringa, A. R.; Smirnov, O.

2017-10-01

We describe a new multiscale deconvolution algorithm that can also be used in a multifrequency mode. The algorithm only affects the minor clean loop. In single-frequency mode, the minor loop of our improved multiscale algorithm is over an order of magnitude faster than the casa multiscale algorithm, and produces results of similar quality. For multifrequency deconvolution, a technique named joined-channel cleaning is used. In this mode, the minor loop of our algorithm is two to three orders of magnitude faster than casa msmfs. We extend the multiscale mode with automated scale-dependent masking, which allows structures to be cleaned below the noise. We describe a new scale-bias function for use in multiscale cleaning. We test a second deconvolution method that is a variant of the moresane deconvolution technique, and uses a convex optimization technique with isotropic undecimated wavelets as dictionary. On simple well-calibrated data, the convex optimization algorithm produces visually more representative models. On complex or imperfect data, the convex optimization algorithm has stability issues.

Multiplex lithography for multilevel multiscale architectures and its application to polymer electrolyte membrane fuel cell

PubMed Central

Cho, Hyesung; Moon Kim, Sang; Sik Kang, Yun; Kim, Junsoo; Jang, Segeun; Kim, Minhyoung; Park, Hyunchul; Won Bang, Jung; Seo, Soonmin; Suh, Kahp-Yang; Sung, Yung-Eun; Choi, Mansoo

2015-01-01

The production of multiscale architectures is of significant interest in materials science, and the integration of those structures could provide a breakthrough for various applications. Here we report a simple yet versatile strategy that allows for the LEGO-like integrations of microscale membranes by quantitatively controlling the oxygen inhibition effects of ultraviolet-curable materials, leading to multilevel multiscale architectures. The spatial control of oxygen concentration induces different curing contrasts in a resin allowing the selective imprinting and bonding at different sides of a membrane, which enables LEGO-like integration together with the multiscale pattern formation. Utilizing the method, the multilevel multiscale Nafion membranes are prepared and applied to polymer electrolyte membrane fuel cell. Our multiscale membrane fuel cell demonstrates significant enhancement of performance while ensuring mechanical robustness. The performance enhancement is caused by the combined effect of the decrease of membrane resistance and the increase of the electrochemical active surface area. PMID:26412619

2D deblending using the multi-scale shaping scheme

NASA Astrophysics Data System (ADS)

Li, Qun; Ban, Xingan; Gong, Renbin; Li, Jinnuo; Ge, Qiang; Zu, Shaohuan

2018-01-01

Deblending can be posed as an inversion problem, which is ill-posed and requires constraint to obtain unique and stable solution. In blended record, signal is coherent, whereas interference is incoherent in some domains (e.g., common receiver domain and common offset domain). Due to the different sparsity, coefficients of signal and interference locate in different curvelet scale domains and have different amplitudes. Take into account the two differences, we propose a 2D multi-scale shaping scheme to constrain the sparsity to separate the blended record. In the domain where signal concentrates, the multi-scale scheme passes all the coefficients representing signal, while, in the domain where interference focuses, the multi-scale scheme suppresses the coefficients representing interference. Because the interference is suppressed evidently at each iteration, the constraint of multi-scale shaping operator in all scale domains are weak to guarantee the convergence of algorithm. We evaluate the performance of the multi-scale shaping scheme and the traditional global shaping scheme by using two synthetic and one field data examples.

Microphysics in Multi-scale Modeling System with Unified Physics

NASA Technical Reports Server (NTRS)

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.

The MHOST finite element program: 3-D inelastic analysis methods for hot section components. Volume 1: Theoretical manual

NASA Technical Reports Server (NTRS)

Nakazawa, Shohei

1991-01-01

Formulations and algorithms implemented in the MHOST finite element program are discussed. The code uses a novel concept of the mixed iterative solution technique for the efficient 3-D computations of turbine engine hot section components. The general framework of variational formulation and solution algorithms are discussed which were derived from the mixed three field Hu-Washizu principle. This formulation enables the use of nodal interpolation for coordinates, displacements, strains, and stresses. Algorithmic description of the mixed iterative method includes variations for the quasi static, transient dynamic and buckling analyses. The global-local analysis procedure referred to as the subelement refinement is developed in the framework of the mixed iterative solution, of which the detail is presented. The numerically integrated isoparametric elements implemented in the framework is discussed. Methods to filter certain parts of strain and project the element discontinuous quantities to the nodes are developed for a family of linear elements. Integration algorithms are described for linear and nonlinear equations included in MHOST program.

Dipole excitation of surface plasmon on a conducting sheet: Finite element approximation and validation

NASA Astrophysics Data System (ADS)

Maier, Matthias; Margetis, Dionisios; Luskin, Mitchell

2017-06-01

We formulate and validate a finite element approach to the propagation of a slowly decaying electromagnetic wave, called surface plasmon-polariton, excited along a conducting sheet, e.g., a single-layer graphene sheet, by an electric Hertzian dipole. By using a suitably rescaled form of time-harmonic Maxwell's equations, we derive a variational formulation that enables a direct numerical treatment of the associated class of boundary value problems by appropriate curl-conforming finite elements. The conducting sheet is modeled as an idealized hypersurface with an effective electric conductivity. The requisite weak discontinuity for the tangential magnetic field across the hypersurface can be incorporated naturally into the variational formulation. We carry out numerical simulations for an infinite sheet with constant isotropic conductivity embedded in two spatial dimensions; and validate our numerics against the closed-form exact solution obtained by the Fourier transform in the tangential coordinate. Numerical aspects of our treatment such as an absorbing perfectly matched layer, as well as local refinement and a posteriori error control are discussed.

Molecular properties via a subsystem density functional theory formulation: a common framework for electronic embedding.

PubMed

Höfener, Sebastian; Gomes, André Severo Pereira; Visscher, Lucas

2012-01-28

In this article, we present a consistent derivation of a density functional theory (DFT) based embedding method which encompasses wave-function theory-in-DFT (WFT-in-DFT) and the DFT-based subsystem formulation of response theory (DFT-in-DFT) by Neugebauer [J. Neugebauer, J. Chem. Phys. 131, 084104 (2009)] as special cases. This formulation, which is based on the time-averaged quasi-energy formalism, makes use of the variation Lagrangian techniques to allow the use of non-variational (in particular: coupled cluster) wave-function-based methods. We show how, in the time-independent limit, we naturally obtain expressions for the ground-state DFT-in-DFT and WFT-in-DFT embedding via a local potential. We furthermore provide working equations for the special case in which coupled cluster theory is used to obtain the density and excitation energies of the active subsystem. A sample application is given to demonstrate the method. © 2012 American Institute of Physics

The fluid dynamic approach to equidistribution methods for grid generation and adaptation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delzanno, Gian Luca; Finn, John M

2009-01-01

The equidistribution methods based on L{sub p} Monge-Kantorovich optimization [Finn and Delzanno, submitted to SISC, 2009] and on the deformation [Moser, 1965; Dacorogna and Moser, 1990, Liao and Anderson, 1992] method are analyzed primarily in the context of grid generation. It is shown that the first class of methods can be obtained from a fluid dynamic formulation based on time-dependent equations for the mass density and the momentum density, arising from a variational principle. In this context, deformation methods arise from a fluid formulation by making a specific assumption on the time evolution of the density (but with some degreemore » of freedom for the momentum density). In general, deformation methods do not arise from a variational principle. However, it is possible to prescribe an optimal deformation method, related to L{sub 1} Monge-Kantorovich optimization, by making a further assumption on the momentum density. Some applications of the L{sub p} fluid dynamic formulation to imaging are also explored.« less

Multiscale analysis of neural spike trains.

PubMed

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. Copyright © 2013 John Wiley & Sons, Ltd.

Multi-scale clustering of functional data with application to hydraulic gradients in wetlands

USGS Publications Warehouse

Greenwood, Mark C.; Sojda, Richard S.; Sharp, Julia L.; Peck, Rory G.; Rosenberry, Donald O.

2011-01-01

A new set of methods are developed to perform cluster analysis of functions, motivated by a data set consisting of hydraulic gradients at several locations distributed across a wetland complex. The methods build on previous work on clustering of functions, such as Tarpey and Kinateder (2003) and Hitchcock et al. (2007), but explore functions generated from an additive model decomposition (Wood, 2006) of the original time se- ries. Our decomposition targets two aspects of the series, using an adaptive smoother for the trend and circular spline for the diurnal variation in the series. Different measures for comparing locations are discussed, including a method for efficiently clustering time series that are of different lengths using a functional data approach. The complicated nature of these wetlands are highlighted by the shifting group memberships depending on which scale of variation and year of the study are considered.

A 4-node assumed-stress hybrid shell element with rotational degrees of freedom

NASA Technical Reports Server (NTRS)

Aminpour, Mohammad A.

1990-01-01

An assumed-stress hybrid/mixed 4-node quadrilateral shell element is introduced that alleviates most of the deficiencies associated with such elements. The formulation of the element is based on the assumed-stress hybrid/mixed method using the Hellinger-Reissner variational principle. The membrane part of the element has 12 degrees of freedom including rotational or drilling degrees of freedom at the nodes. The bending part of the element also has 12 degrees of freedom. The bending part of the element uses the Reissner-Mindlin plate theory which takes into account the transverse shear contributions. The element formulation is derived from an 8-node isoparametric element. This process is accomplished by assuming quadratic variations for both in-plane and out-of-plane displacement fields and linear variations for both in-plane and out-of-plane rotation fields along the edges of the element. In addition, the degrees of freedom at midside nodes are approximated in terms of the degrees of freedom at corner nodes. During this process the rotational degrees of freedom at the corner nodes enter into the formulation of the element. The stress field are expressed in the element natural-coordinate system such that the element remains invariant with respect to node numbering.

Investigation of tenuous plasma environment using Active Spacecraft Potential Control (ASPOC) on Magnetospheric Multiscale (MMS) Mission

NASA Astrophysics Data System (ADS)

Nakamura, Rumi; Jeszenszky, Harald; Torkar, Klaus; Andriopoulou, Maria; Fremuth, Gerhard; Taijmar, Martin; Scharlemann, Carsten; Svenes, Knut; Escoubet, Philippe; Prattes, Gustav; Laky, Gunter; Giner, Franz; Hoelzl, Bernhard

2015-04-01

The NASA's Magnetospheric Multiscale (MMS) Mission is planned to be launched on March 12, 2015. The scientific objectives of the MMS mission are to explore and understand the fundamental plasma physics processes of magnetic reconnection, particle acceleration and turbulence in the Earth's magnetosphere. The region of scientific interest of MMS is in a tenuous plasma environment where the positive spacecraft potential reaches an equilibrium at several tens of Volts. An Active Spacecraft Potential Control (ASPOC) instrument neutralizes the spacecraft potential by releasing positive charge produced by indium ion emitters. ASPOC thereby reduces the potential in order to improve the electric field and low-energy particle measurement. The method has been successfully applied on other spacecraft such as Cluster and Double Star. Two ASPOC units are present on each of the MMS spacecraft. Each unit contains four ion emitters, whereby one emitter per instrument is operated at a time. ASPOC for MMS includes new developments in the design of the emitters and the electronics enabling lower spacecraft potentials, higher reliability, and a more uniform potential structure in the spacecraft's sheath compared to previous missions. Model calculations confirm the findings from previous applications that the plasma measurements will not be affected by the beam's space charge. A perfectly stable spacecraft potential precludes the utilization of the spacecraft as a plasma probe, which is a conventional technique used to estimate ambient plasma density from the spacecraft potential. The small residual variations of the potential controlled by ASPOC, however, still allow to determine ambient plasma density by comparing two closely separated spacecraft and thereby reconstructing the uncontrolled potential variation from the controlled potential. Regular intercalibration of controlled and uncontrolled potentials is expected to increase the reliability of this new method.

Prediction of glycosaminoglycan synthesis in intervertebral disc under mechanical loading.

PubMed

Gao, Xin; Zhu, Qiaoqiao; Gu, Weiyong

2016-09-06

The loss of glycosaminoglycan (GAG) content is a major biochemical change during intervertebral disc (IVD) degeneration. Abnormal mechanical loading is one of the major factors causing disc degeneration. In this study, a multiscale mathematical model was developed to quantify the effect of mechanical loading on GAG synthesis. This model was based on a recently developed cell volume dependent GAG synthesis theory that predicts the variation of GAG synthesis rate of a cell under the influence of mechanical stimuli, and the biphasic theory that describes the deformation of IVD under mechanical loading. The GAG synthesis (at the cell level) was coupled with the mechanical loading (at the tissue level) via a cell-matrix unit approach which established a relationship between the variation of cell dilatation and the local tissue dilatation. This multiscale mathematical model was used to predict the effect of static load (creep load) on GAG synthesis in bovine tail discs. The predicted results are in the range of experimental results. This model was also used to investigate the effect of static (0.2MPa) and diurnal loads (0.1/0.3MPa and 0.15/0.25MPa in 12/12 hours shift with an average of 0.2MPa over a cycle) on GAG synthesis. It was found that static load and diurnal loads have different effects on GAG synthesis in a diurnal cycle, and the diurnal load effects depend on the amplitude of the load. The model is important to understand the effect of mechanical loading at the tissue level on GAG synthesis at the cellular level, as well as to optimize the mechanical loading in growing engineered tissue. Copyright © 2016 Elsevier Ltd. All rights reserved.

Crazing in Polymeric and Composite Systems

DTIC Science & Technology

1990-04-23

these physical variations into consideration in any mathematical modeling and formulation in analyzing the stresses from the time when crazes incept to...as boundary tractions with great strength; any governing mathematical formulation must include this feature for any adequate analysis. Crazes of...constants the mathematical model describing the crazing mechanism have been successful [25-29]. References 1 J. A. Sauer, J. Marin and C. C. Hsiao, J. App

Investigation of dielectric properties of different cake formulations during microwave and infrared-microwave combination baking.

PubMed

Sakiyan, Ozge; Sumnu, Gulum; Sahin, Serpil; Meda, Venkatesh

2007-05-01

Dielectric properties can be used to understand the behavior of food materials during microwave processing. Dielectric properties influence the level of interaction between food and high frequency electromagnetic energy. Dielectric properties are, therefore, important in the design of foods intended for microwave preparation. In this study, it was aimed to determine the variation of dielectric properties of different cake formulations during baking in microwave and infrared-microwave combination oven. In addition, the effects of formulation and temperature on dielectric properties of cake batter were examined. Dielectric constant and loss factor of cake samples were shown to be dependent on formulation, baking time, and temperature. The increase in baking time and temperature decreased dielectric constant and loss factor of all formulations. Fat content was shown to increase dielectric constant and loss factor of cakes.

General stochastic variational formulation for the oligopolistic market equilibrium problem with excesses

NASA Astrophysics Data System (ADS)

Barbagallo, Annamaria; Di Meglio, Guglielmo; Mauro, Paolo

2017-07-01

The aim of the paper is to study, in a Hilbert space setting, a general random oligopolistic market equilibrium problem in presence of both production and demand excesses and to characterize the random Cournot-Nash equilibrium principle by means of a stochastic variational inequality. Some existence results are presented.

Self-Study and Evaluation Guide; Section C-2; Financial Accounting and Service Reporting.

ERIC Educational Resources Information Center

National Accreditation Council for Agencies Serving the Blind and Visually Handicapped, New York, NY.

In determining standards to judge an agency's performance in meeting its responsibilities to the public, two fundamental factors must be taken into consideration: (1) standards for financial accounting and service reporting must be formulated in the knowledge that variations among agencies will necessarily give rise to variations in applicability…

Classification, genetic variation and pathogenicity of Lymantria dispar nucleopolyhedrovirus isolates from Asia, Europe, and North America

USDA-ARS?s Scientific Manuscript database

Lymantria dispar multiple nucleopolyhedrovirus (LdMNPV) has been formulated and applied to control outbreaks of the gypsy moth, L. dispar. To classify and determine the degree of genetic variation among isolates of L. dispar NPVs from different parts of the range of the gypsy moth, partial sequence...

The effects of surface evaporation parameterizations on climate sensitivity to solar constant variations

NASA Technical Reports Server (NTRS)

Chou, S.-H.; Curran, R. J.; Ohring, G.

1981-01-01

The effects of two different evaporation parameterizations on the sensitivity of simulated climate to solar constant variations are investigated by using a zonally averaged climate model. One parameterization is a nonlinear formulation in which the evaporation is nonlinearly proportional to the sensible heat flux, with the Bowen ratio determined by the predicted vertical temperature and humidity gradients near the earth's surface (model A). The other is the formulation of Saltzman (1968) with the evaporation linearly proportional to the sensible heat flux (model B). The computed climates of models A and B are in good agreement except for the energy partition between sensible and latent heat at the earth's surface. The difference in evaporation parameterizations causes a difference in the response of temperature lapse rate to solar constant variations and a difference in the sensitivity of longwave radiation to surface temperature which leads to a smaller sensitivity of surface temperature to solar constant variations in model A than in model B. The results of model A are qualitatively in agreement with those of the general circulation model calculations of Wetherald and Manabe (1975).

Multi-Scale Validation of a Nanodiamond Drug Delivery System and Multi-Scale Engineering Education

ERIC Educational Resources Information Center

Schwalbe, Michelle Kristin

2010-01-01

This dissertation has two primary concerns: (i) evaluating the uncertainty and prediction capabilities of a nanodiamond drug delivery model using Bayesian calibration and bias correction, and (ii) determining conceptual difficulties of multi-scale analysis from an engineering education perspective. A Bayesian uncertainty quantification scheme…

A weak Galerkin generalized multiscale finite element method

DOE PAGES

Mu, Lin; Wang, Junping; Ye, Xiu

2016-03-31

In this study, we propose a general framework for weak Galerkin generalized multiscale (WG-GMS) finite element method for the elliptic problems with rapidly oscillating or high contrast coefficients. This general WG-GMS method features in high order accuracy on general meshes and can work with multiscale basis derived by different numerical schemes. A special case is studied under this WG-GMS framework in which the multiscale basis functions are obtained by solving local problem with the weak Galerkin finite element method. Convergence analysis and numerical experiments are obtained for the special case.

A weak Galerkin generalized multiscale finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mu, Lin; Wang, Junping; Ye, Xiu

In this study, we propose a general framework for weak Galerkin generalized multiscale (WG-GMS) finite element method for the elliptic problems with rapidly oscillating or high contrast coefficients. This general WG-GMS method features in high order accuracy on general meshes and can work with multiscale basis derived by different numerical schemes. A special case is studied under this WG-GMS framework in which the multiscale basis functions are obtained by solving local problem with the weak Galerkin finite element method. Convergence analysis and numerical experiments are obtained for the special case.

Multi-Scale Scattering Transform in Music Similarity Measuring

NASA Astrophysics Data System (ADS)

Wang, Ruobai

Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

Multiscale molecular dynamics/hydrodynamics implementation of two dimensional "Mercedes Benz" water model

NASA Astrophysics Data System (ADS)

Scukins, A.; Nerukh, D.; Pavlov, E.; Karabasov, S.; Markesteijn, A.

2015-09-01

A multiscale Molecular Dynamics/Hydrodynamics implementation of the 2D Mercedes Benz (MB or BN2D) [1] water model is developed and investigated. The concept and the governing equations of multiscale coupling together with the results of the two-way coupling implementation are reported. The sensitivity of the multiscale model for obtaining macroscopic and microscopic parameters of the system, such as macroscopic density and velocity fluctuations, radial distribution and velocity autocorrelation functions of MB particles, is evaluated. Critical issues for extending the current model to large systems are discussed.

Single Image Super-Resolution Based on Multi-Scale Competitive Convolutional Neural Network

PubMed Central

Qu, Xiaobo; He, Yifan

2018-01-01

Deep convolutional neural networks (CNNs) are successful in single-image super-resolution. Traditional CNNs are limited to exploit multi-scale contextual information for image reconstruction due to the fixed convolutional kernel in their building modules. To restore various scales of image details, we enhance the multi-scale inference capability of CNNs by introducing competition among multi-scale convolutional filters, and build up a shallow network under limited computational resources. The proposed network has the following two advantages: (1) the multi-scale convolutional kernel provides the multi-context for image super-resolution, and (2) the maximum competitive strategy adaptively chooses the optimal scale of information for image reconstruction. Our experimental results on image super-resolution show that the performance of the proposed network outperforms the state-of-the-art methods. PMID:29509666

Single Image Super-Resolution Based on Multi-Scale Competitive Convolutional Neural Network.

PubMed

Du, Xiaofeng; Qu, Xiaobo; He, Yifan; Guo, Di

2018-03-06

Deep convolutional neural networks (CNNs) are successful in single-image super-resolution. Traditional CNNs are limited to exploit multi-scale contextual information for image reconstruction due to the fixed convolutional kernel in their building modules. To restore various scales of image details, we enhance the multi-scale inference capability of CNNs by introducing competition among multi-scale convolutional filters, and build up a shallow network under limited computational resources. The proposed network has the following two advantages: (1) the multi-scale convolutional kernel provides the multi-context for image super-resolution, and (2) the maximum competitive strategy adaptively chooses the optimal scale of information for image reconstruction. Our experimental results on image super-resolution show that the performance of the proposed network outperforms the state-of-the-art methods.

Transfer the multiscale texture of crystalline Si onto thin-film micromorph cell by UV nanoimprint for light trapping

NASA Astrophysics Data System (ADS)

Liu, Daiming; Wang, Qingkang; Wang, Qing

2018-05-01

Surface texturing is of great significance in light trapping for solar cells. Herein, the multiscale texture, consisting of microscale pyramids and nanoscale porous arrangement, was fabricated on crystalline Si by KOH etching and Ag-assisted HF etching processes and subsequently replicated onto glass with high fidelity by UV nanoimprint method. Light trapping of the multiscale texture was studied by spectral (reflectance, haze ratio) characterizations. Results reveal the multiscale texture provides the broadband reflection reducing, the highlighted light scattering and the additional self-cleaning behaviors. Compared with bare cell, the multiscale textured micromorph cell achieves a 4% relative increase in power conversion efficiency. This surface texturing route paves a promising way for developing low-cost, large-scale and high-efficiency solar applications.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

NASA Astrophysics Data System (ADS)

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-05-01

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai; Fu, Shubin; Chung, Eric T.

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

Integrating Multiscale Modeling with Drug Effects for Cancer Treatment.

PubMed

Li, Xiangfang L; Oduola, Wasiu O; Qian, Lijun; Dougherty, Edward R

2015-01-01

In this paper, we review multiscale modeling for cancer treatment with the incorporation of drug effects from an applied system's pharmacology perspective. Both the classical pharmacology and systems biology are inherently quantitative; however, systems biology focuses more on networks and multi factorial controls over biological processes rather than on drugs and targets in isolation, whereas systems pharmacology has a strong focus on studying drugs with regard to the pharmacokinetic (PK) and pharmacodynamic (PD) relations accompanying drug interactions with multiscale physiology as well as the prediction of dosage-exposure responses and economic potentials of drugs. Thus, it requires multiscale methods to address the need for integrating models from the molecular levels to the cellular, tissue, and organism levels. It is a common belief that tumorigenesis and tumor growth can be best understood and tackled by employing and integrating a multifaceted approach that includes in vivo and in vitro experiments, in silico models, multiscale tumor modeling, continuous/discrete modeling, agent-based modeling, and multiscale modeling with PK/PD drug effect inputs. We provide an example application of multiscale modeling employing stochastic hybrid system for a colon cancer cell line HCT-116 with the application of Lapatinib drug. It is observed that the simulation results are similar to those observed from the setup of the wet-lab experiments at the Translational Genomics Research Institute.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-04

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

Multiscale decoding for reliable brain-machine interface performance over time.

PubMed

Han-Lin Hsieh; Wong, Yan T; Pesaran, Bijan; Shanechi, Maryam M

2017-07-01

Recordings from invasive implants can degrade over time, resulting in a loss of spiking activity for some electrodes. For brain-machine interfaces (BMI), such a signal degradation lowers control performance. Achieving reliable performance over time is critical for BMI clinical viability. One approach to improve BMI longevity is to simultaneously use spikes and other recording modalities such as local field potentials (LFP), which are more robust to signal degradation over time. We have developed a multiscale decoder that can simultaneously model the different statistical profiles of multi-scale spike/LFP activity (discrete spikes vs. continuous LFP). This decoder can also run at multiple time-scales (millisecond for spikes vs. tens of milliseconds for LFP). Here, we validate the multiscale decoder for estimating the movement of 7 major upper-arm joint angles in a non-human primate (NHP) during a 3D reach-to-grasp task. The multiscale decoder uses motor cortical spike/LFP recordings as its input. We show that the multiscale decoder can improve decoding accuracy by adding information from LFP to spikes, while running at the fast millisecond time-scale of the spiking activity. Moreover, this improvement is achieved using relatively few LFP channels, demonstrating the robustness of the approach. These results suggest that using multiscale decoders has the potential to improve the reliability and longevity of BMIs.

Completed Beltrami-Michell Formulation for Analyzing Radially Symmetrical Bodies

NASA Technical Reports Server (NTRS)

Kaljevic, Igor; Saigal, Sunil; Hopkins, Dale A.; Patnaik, Surya N.

1994-01-01

A force method formulation, the completed Beltrami-Michell formulation (CBMF), has been developed for analyzing boundary value problems in elastic continua. The CBMF is obtained by augmenting the classical Beltrami-Michell formulation with novel boundary compatibility conditions. It can analyze general elastic continua with stress, displacement, or mixed boundary conditions. The CBMF alleviates the limitations of the classical formulation, which can solve stress boundary value problems only. In this report, the CBMF is specialized for plates and shells. All equations of the CBMF, including the boundary compatibility conditions, are derived from the variational formulation of the integrated force method (IFM). These equations are defined only in terms of stresses. Their solution for kinematically stable elastic continua provides stress fields without any reference to displacements. In addition, a stress function formulation for plates and shells is developed by augmenting the classical Airy's formulation with boundary compatibility conditions expressed in terms of the stress function. The versatility of the CBMF and the augmented stress function formulation is demonstrated through analytical solutions of several mixed boundary value problems. The example problems include a composite circular plate and a composite circular cylindrical shell under the simultaneous actions of mechanical and thermal loads.

Complex systems and the technology of variability analysis

PubMed Central

Seely, Andrew JE; Macklem, Peter T

2004-01-01

Characteristic patterns of variation over time, namely rhythms, represent a defining feature of complex systems, one that is synonymous with life. Despite the intrinsic dynamic, interdependent and nonlinear relationships of their parts, complex biological systems exhibit robust systemic stability. Applied to critical care, it is the systemic properties of the host response to a physiological insult that manifest as health or illness and determine outcome in our patients. Variability analysis provides a novel technology with which to evaluate the overall properties of a complex system. This review highlights the means by which we scientifically measure variation, including analyses of overall variation (time domain analysis, frequency distribution, spectral power), frequency contribution (spectral analysis), scale invariant (fractal) behaviour (detrended fluctuation and power law analysis) and regularity (approximate and multiscale entropy). Each technique is presented with a definition, interpretation, clinical application, advantages, limitations and summary of its calculation. The ubiquitous association between altered variability and illness is highlighted, followed by an analysis of how variability analysis may significantly improve prognostication of severity of illness and guide therapeutic intervention in critically ill patients. PMID:15566580

Multiscale Trend Analysis for Pampa Grasslands Using Ground Data and Vegetation Sensor Imagery

PubMed Central

Scottá, Fernando C.; da Fonseca, Eliana L.

2015-01-01

This study aimed to evaluate changes in the aboveground net primary productivity (ANPP) of grasslands in the Pampa biome by using experimental plots and changes in the spectral responses of similar vegetation communities obtained by remote sensing and to compare both datasets with meteorological variations to validate the transition scales of the datasets. Two different geographic scales were considered in this study. At the local scale, an analysis of the climate and its direct influences on grassland ANPP was performed using data from a long-term experiment. At the regional scale, the influences of climate on the grassland reflectance patterns were determined using vegetation sensor imagery data. Overall, the monthly variations of vegetation canopy growth analysed using environmental changes (air temperature, total rainfall and total evapotranspiration) were similar. The results from the ANPP data and the NDVI data showed the that variations in grassland growth were similar and independent of the analysis scale, which indicated that local data and the relationships of local data with climate can be considered at the regional scale in the Pampa biome by using remote sensing. PMID:26197320

Variational method for integrating radial gradient field

NASA Astrophysics Data System (ADS)

Legarda-Saenz, Ricardo; Brito-Loeza, Carlos; Rivera, Mariano; Espinosa-Romero, Arturo

2014-12-01

We propose a variational method for integrating information obtained from circular fringe pattern. The proposed method is a suitable choice for objects with radial symmetry. First, we analyze the information contained in the fringe pattern captured by the experimental setup and then move to formulate the problem of recovering the wavefront using techniques from calculus of variations. The performance of the method is demonstrated by numerical experiments with both synthetic and real data.

Variational submanifolds of Euclidean spaces

NASA Astrophysics Data System (ADS)

Krupka, D.; Urban, Z.; Volná, J.

2018-03-01

Systems of ordinary differential equations (or dynamical forms in Lagrangian mechanics), induced by embeddings of smooth fibered manifolds over one-dimensional basis, are considered in the class of variational equations. For a given non-variational system, conditions assuring variationality (the Helmholtz conditions) of the induced system with respect to a submanifold of a Euclidean space are studied, and the problem of existence of these "variational submanifolds" is formulated in general and solved for second-order systems. The variational sequence theory on sheaves of differential forms is employed as a main tool for the analysis of local and global aspects (variationality and variational triviality). The theory is illustrated by examples of holonomic constraints (submanifolds of a configuration Euclidean space) which are variational submanifolds in geometry and mechanics.

Perspectives on magnetic reconnection

PubMed Central

Yamada, Masaaki

2016-01-01

Magnetic reconnection is a topological rearrangement of magnetic field that occurs on time scales much faster than the global magnetic diffusion time. Since the field lines break on microscopic scales but energy is stored and the field is driven on macroscopic scales, reconnection is an inherently multi-scale process that often involves both magnetohydrodynamic (MHD) and kinetic phenomena. In this article, we begin with the MHD point of view and then describe the dynamics and energetics of reconnection using a two-fluid formulation. We also focus on the respective roles of global and local processes and how they are coupled. We conclude that the triggers for reconnection are mostly global, that the key energy conversion and dissipation processes are either local or global, and that the presence of a continuum of scales coupled from microscopic to macroscopic may be the most likely path to fast reconnection. PMID:28119547

Oil Spill Hydrodynamics, from Droplets to Oil Slicks

NASA Astrophysics Data System (ADS)

Moghimi, S.; Restrepo, J. M.; Venkataramani, S.

2016-02-01

A fundamental challenge in proposing a model for the fate of oil in oceans relates to the extreme spatio-temporal scales required by hazard/abatement studies. We formulate a multiscale model that takes into account droplet dynamics and its effects on submerged and surface oil. The upscaling of the microphysics, within a mass conserving model, allows us to resolve oil mass exchanges between the oil found on the turbulent ocean surface and the ocean interior. In addition to presenting the model and the mutl-scale methodology we apply this upscaling to the evolution of oil on shelves and show how nearshore oil spills demonstrate dynamics that are not easily captured by oil models based on idealized tracer dynamics. In particular we demonstrate how oil can slow down and even park itself under certain oceanic conditions. An explanation for this phenomenon is proposed as well.

Perspectives on magnetic reconnection

DOE PAGES

Zweibel, Ellen G.; Yamada, Masaaki

2016-12-07

Magnetic reconnection is a topological rearrangement of magnetic field that occurs on time scales much faster than the global magnetic diffusion time. Since the field lines break on microscopic scales but energy is stored and the field is driven on macroscopic scales, reconnection is an inherently multi-scale process that often involves both magnetohydrodynamic (MHD) and kinetic phenomena. In this article, we begin with the MHD point of view and then describe the dynamics and energetics of reconnection using a two-fluid formulation. We also focus on the respective roles of global and local processes and how they are coupled. Here, wemore » conclude that the triggers for reconnection are mostly global, that the key energy conversion and dissipation processes are either local or global, and that the presence of a continuum of scales coupled from microscopic to macroscopic may be the most likely path to fast reconnection.« less

Universality classes of fluctuation dynamics in hierarchical complex systems

NASA Astrophysics Data System (ADS)

Macêdo, A. M. S.; González, Iván R. Roa; Salazar, D. S. P.; Vasconcelos, G. L.

2017-03-01

A unified approach is proposed to describe the statistics of the short-time dynamics of multiscale complex systems. The probability density function of the relevant time series (signal) is represented as a statistical superposition of a large time-scale distribution weighted by the distribution of certain internal variables that characterize the slowly changing background. The dynamics of the background is formulated as a hierarchical stochastic model whose form is derived from simple physical constraints, which in turn restrict the dynamics to only two possible classes. The probability distributions of both the signal and the background have simple representations in terms of Meijer G functions. The two universality classes for the background dynamics manifest themselves in the signal distribution as two types of tails: power law and stretched exponential, respectively. A detailed analysis of empirical data from classical turbulence and financial markets shows excellent agreement with the theory.

Crystal Plasticity Model of Reactor Pressure Vessel Embrittlement in GRIZZLY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, Pritam; Biner, Suleyman Bulent; Zhang, Yongfeng

2015-07-01

The integrity of reactor pressure vessels (RPVs) is of utmost importance to ensure safe operation of nuclear reactors under extended lifetime. Microstructure-scale models at various length and time scales, coupled concurrently or through homogenization methods, can play a crucial role in understanding and quantifying irradiation-induced defect production, growth and their influence on mechanical behavior of RPV steels. A multi-scale approach, involving atomistic, meso- and engineering-scale models, is currently being pursued within the GRIZZLY project to understand and quantify irradiation-induced embrittlement of RPV steels. Within this framework, a dislocation-density based crystal plasticity model has been developed in GRIZZLY that captures themore » effect of irradiation-induced defects on the flow stress behavior and is presented in this report. The present formulation accounts for the interaction between self-interstitial loops and matrix dislocations. The model predictions have been validated with experiments and dislocation dynamics simulation.« less

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhakal, Tilak Raj

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crackmore » tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.« less

ONE-ATMOSPHERE DYNAMICS DESCRIPTION IN THE MODELS-3 COMMUNITY MULTI-SCALE QUALITY (CMAQ) MODELING SYSTEM

EPA Science Inventory

This paper proposes a general procedure to link meteorological data with air quality models, such as U.S. EPA's Models-3 Community Multi-scale Air Quality (CMAQ) modeling system. CMAQ is intended to be used for studying multi-scale (urban and regional) and multi-pollutant (ozon...

Multiscale Models in the Biomechanics of Plant Growth

PubMed Central

Fozard, John A.

2015-01-01

Plant growth occurs through the coordinated expansion of tightly adherent cells, driven by regulated softening of cell walls. It is an intrinsically multiscale process, with the integrated properties of multiple cell walls shaping the whole tissue. Multiscale models encode physical relationships to bring new understanding to plant physiology and development. PMID:25729061

Filter-based multiscale entropy analysis of complex physiological time series.

PubMed

Xu, Yuesheng; Zhao, Liang

2013-08-01

Multiscale entropy (MSE) has been widely and successfully used in analyzing the complexity of physiological time series. We reinterpret the averaging process in MSE as filtering a time series by a filter of a piecewise constant type. From this viewpoint, we introduce filter-based multiscale entropy (FME), which filters a time series to generate multiple frequency components, and then we compute the blockwise entropy of the resulting components. By choosing filters adapted to the feature of a given time series, FME is able to better capture its multiscale information and to provide more flexibility for studying its complexity. Motivated by the heart rate turbulence theory, which suggests that the human heartbeat interval time series can be described in piecewise linear patterns, we propose piecewise linear filter multiscale entropy (PLFME) for the complexity analysis of the time series. Numerical results from PLFME are more robust to data of various lengths than those from MSE. The numerical performance of the adaptive piecewise constant filter multiscale entropy without prior information is comparable to that of PLFME, whose design takes prior information into account.

Revealing the physical insight of a length-scale parameter in metamaterials by exploiting the variational formulation

NASA Astrophysics Data System (ADS)

Abali, B. Emek

2018-04-01

For micro-architectured materials with a substructure, called metamaterials, we can realize a direct numerical simulation in the microscale by using classical mechanics. This method is accurate, however, computationally costly. Instead, a solution of the same problem in the macroscale is possible by means of the generalized mechanics. In this case, no detailed modeling of the substructure is necessary; however, new parameters emerge. A physical interpretation of these metamaterial parameters is challenging leading to a lack of experimental strategies for their determination. In this work, we exploit the variational formulation based on action principles and obtain a direct relation between a parameter used in the kinetic energy and a metamaterial parameter in the case of a viscoelastic model.

Facing the challenges of multiscale modelling of bacterial and fungal pathogen–host interactions

PubMed Central

Schleicher, Jana; Conrad, Theresia; Gustafsson, Mika; Cedersund, Gunnar; Guthke, Reinhard

2017-01-01

Abstract Recent and rapidly evolving progress on high-throughput measurement techniques and computational performance has led to the emergence of new disciplines, such as systems medicine and translational systems biology. At the core of these disciplines lies the desire to produce multiscale models: mathematical models that integrate multiple scales of biological organization, ranging from molecular, cellular and tissue models to organ, whole-organism and population scale models. Using such models, hypotheses can systematically be tested. In this review, we present state-of-the-art multiscale modelling of bacterial and fungal infections, considering both the pathogen and host as well as their interaction. Multiscale modelling of the interactions of bacteria, especially Mycobacterium tuberculosis, with the human host is quite advanced. In contrast, models for fungal infections are still in their infancy, in particular regarding infections with the most important human pathogenic fungi, Candida albicans and Aspergillus fumigatus. We reflect on the current availability of computational approaches for multiscale modelling of host–pathogen interactions and point out current challenges. Finally, we provide an outlook for future requirements of multiscale modelling. PMID:26857943

Multiscale Pressure-Balanced Structures in Three-dimensional Magnetohydrodynamic Turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Liping; Zhang, Lei; Feng, Xueshang

2017-02-10

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 themore » 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.« less

Multi-scale signed envelope inversion

NASA Astrophysics Data System (ADS)

Chen, Guo-Xin; Wu, Ru-Shan; Wang, Yu-Qing; Chen, Sheng-Chang

2018-06-01

Envelope inversion based on modulation signal mode was proposed to reconstruct large-scale structures of underground media. In order to solve the shortcomings of conventional envelope inversion, multi-scale envelope inversion was proposed using new envelope Fréchet derivative and multi-scale inversion strategy to invert strong contrast models. In multi-scale envelope inversion, amplitude demodulation was used to extract the low frequency information from envelope data. However, only to use amplitude demodulation method will cause the loss of wavefield polarity information, thus increasing the possibility of inversion to obtain multiple solutions. In this paper we proposed a new demodulation method which can contain both the amplitude and polarity information of the envelope data. Then we introduced this demodulation method into multi-scale envelope inversion, and proposed a new misfit functional: multi-scale signed envelope inversion. In the numerical tests, we applied the new inversion method to the salt layer model and SEG/EAGE 2-D Salt model using low-cut source (frequency components below 4 Hz were truncated). The results of numerical test demonstrated the effectiveness of this method.

Comparative physicochemical evaluation of a marketed herbomineral formulation: naga bhasma.

PubMed

Garg, M; Das, S; Singh, G

2012-11-01

In the practice of Ayurveda, where herbomineral formulations are said to be made biocompatible through specific processes like Shodhana and Marana, the western medical science on the contrary has raised the safety concerns of these formulations in the recent past. In the present study, comparative physico-chemical analysis of Naga bhasma, a herbo-mineral preparation having a reputation of miraculous drug commonly used to treat several health disorders, was carried out using five marketed formulations through analytical methods like differential scanning calorimetry, X-ray difraction, thermogravimetric analysis, Fourier Transform infrared spectroscopy and also subjected for particle size analysis and estimation of trace and heavy metals to access the safety of these formulation. The results revealed variable observations regarding particle size, metal form and content of lead. The presence of free lead in five different formulations indicated towards the possible risk of severe side effects to the consumer. Present findings certainly put doubt over the safety of this formulation but at the same time, variation in the results with all five formulations also indicated that these formulations were not prepared as per the mentioned Ayurvedic text. Hence, enforcement of strict regulatory guidelines is strongly warranted before launching into the market. Further, a series of biological studies need to be conducted before taking any final verdict on the safety of this formulation.

An Analysis Platform for Multiscale Hydrogeologic Modeling with Emphasis on Hybrid Multiscale Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scheibe, Timothy D.; Murphy, Ellyn M.; Chen, Xingyuan

2015-01-01

One of the most significant challenges facing hydrogeologic modelers is the disparity between those spatial and temporal scales at which fundamental flow, transport and reaction processes can best be understood and quantified (e.g., microscopic to pore scales, seconds to days) and those at which practical model predictions are needed (e.g., plume to aquifer scales, years to centuries). While the multiscale nature of hydrogeologic problems is widely recognized, technological limitations in computational 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 modelmore » 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 paper, 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 flow chart (Multiscale Analysis Platform or MAP), 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, we envision that hybrid multiscale modeling will become more common and may become a viable alternative to conventional single-scale models in the near future.« less

An analysis platform for multiscale hydrogeologic modeling with emphasis on hybrid multiscale methods.

PubMed

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, we envision that hybrid multiscale modeling will become more common and also a viable alternative to conventional single-scale models in the near future. © 2014, National Ground Water Association.

A dynamic unilateral contact problem with adhesion and friction in viscoelasticity

NASA Astrophysics Data System (ADS)

Cocou, Marius; Schryve, Mathieu; Raous, Michel

2010-08-01

The aim of this paper is to study an interaction law coupling recoverable adhesion, friction and unilateral contact between two viscoelastic bodies of Kelvin-Voigt type. A dynamic contact problem with adhesion and nonlocal friction is considered and its variational formulation is written as the coupling between an implicit variational inequality and a parabolic variational inequality describing the evolution of the intensity of adhesion. The existence and approximation of variational solutions are analysed, based on a penalty method, some abstract results and compactness properties. Finally, some numerical examples are presented.

Classification, genetic variation and pathogenicity of Lymantria dispar nucleopolyhedrovirus isolates from Asia, Europe, and North America

Treesearch

Robert L. Harrison; Melody A. Keena; Daniel L. Rowley

2014-01-01

Lymantria dispar multiple nucleopolyhedrovirus (LdMNPV) has been formulated and applied to control outbreaks of the gypsy moth, L. dispar. To classify and determine the degree of genetic variation among isolates of L. dispar NPVs from different parts of the range of the gypsy moth, partial sequences of the

Modified DFA and DCCA approach for quantifying the multiscale correlation structure of financial markets

NASA Astrophysics Data System (ADS)

Yin, Yi; Shang, Pengjian

2013-12-01

We use multiscale detrended fluctuation analysis (MSDFA) and multiscale detrended cross-correlation analysis (MSDCCA) to investigate auto-correlation (AC) and cross-correlation (CC) in the US and Chinese stock markets during 1997-2012. The results show that US and Chinese stock indices differ in terms of their multiscale AC structures. Stock indices in the same region also differ with regard to their multiscale AC structures. We analyze AC and CC behaviors among indices for the same region to determine similarity among six stock indices and divide them into four groups accordingly. We choose S&P500, NQCI, HSI, and the Shanghai Composite Index as representative samples for simplicity. MSDFA and MSDCCA results and average MSDFA spectra for local scaling exponents (LSEs) for individual series are presented. We find that the MSDCCA spectrum for LSE CC between two time series generally tends to be greater than the average MSDFA LSE spectrum for individual series. We obtain detailed multiscale structures and relations for CC between the four representatives. MSDFA and MSDCCA with secant rolling windows of different sizes are then applied to reanalyze the AC and CC. Vertical and horizontal comparisons of different window sizes are made. The MSDFA and MSDCCA results for the original window size are confirmed and some new interesting characteristics and conclusions regarding multiscale correlation structures are obtained.

Clay facial masks: physicochemical stability at different storage temperatures.

PubMed

Zague, Vivian; de Almeida Silva, Diego; Baby, André Rolim; Kaneko, Telma Mary; Velasco, Maria Valéria Robles

2007-01-01

Clay facial masks--formulations that contain a high percentage of solids dispersed in a liquid vehicle--have become of special interest due to specific properties presented by clays, such as particle size, cooling index, high adsorption capacity, and plasticity. Although most of the physicochemical properties of clay dispersions have been studied, specific aspects concerning the physicochemical stability of clay mask products remain unclear. This work aimed at investigating the accelerated physicochemical stability of clay mask formulations stored at different temperatures. Formulations were subjected to centrifuge testing and to thermal treatment for 15 days, during which temperature was varied from -5.0 degrees to 45.0 degrees C. The apparent viscosity and visual aspect (homogeneity) of all formulations were affected by temperature variation, whereas color, odor, and pH value remained unaltered. These results, besides the estimation of physicochemical stability under aging, can be useful in determining the best storage conditions for clay-based formulations.

Dirac structures in nonequilibrium thermodynamics

NASA Astrophysics Data System (ADS)

Gay-Balmaz, François; Yoshimura, Hiroaki

2018-01-01

Dirac structures are geometric objects that generalize both Poisson structures and presymplectic structures on manifolds. They naturally appear in the formulation of constrained mechanical systems. In this paper, we show that the evolution equations for nonequilibrium thermodynamics admit an intrinsic formulation in terms of Dirac structures, both on the Lagrangian and the Hamiltonian settings. In the absence of irreversible processes, these Dirac structures reduce to canonical Dirac structures associated with canonical symplectic forms on phase spaces. Our geometric formulation of nonequilibrium thermodynamic thus consistently extends the geometric formulation of mechanics, to which it reduces in the absence of irreversible processes. The Dirac structures are associated with the variational formulation of nonequilibrium thermodynamics developed in the work of Gay-Balmaz and Yoshimura, J. Geom. Phys. 111, 169-193 (2017a) and are induced from a nonlinear nonholonomic constraint given by the expression of the entropy production of the system.

On a variational approach to some parameter estimation problems

NASA Technical Reports Server (NTRS)

Banks, H. T.

1985-01-01

Examples (1-D seismic, large flexible structures, bioturbation, nonlinear population dispersal) in which a variation setting can provide a convenient framework for convergence and stability arguments in parameter estimation problems are considered. Some of these examples are 1-D seismic, large flexible structures, bioturbation, and nonlinear population dispersal. Arguments for convergence and stability via a variational approach of least squares formulations of parameter estimation problems for partial differential equations is one aspect of the problem considered.

Taylor-Aris Dispersion: An Explicit Example for Understanding Multiscale Analysis via Volume Averaging

ERIC Educational Resources Information Center

Wood, Brian D.

2009-01-01

Although the multiscale structure of many important processes in engineering is becoming more widely acknowledged, making this connection in the classroom is a difficult task. This is due in part because the concept of multiscale structure itself is challenging and it requires the students to develop new conceptual pictures of physical systems,…

Shaken but not stirred: Multiscale habitat suitability modeling of sympatric marten species (Martes martes and Martes foina) in the northern Iberian Peninsula

Treesearch

Maria Vergara; Samuel A. Cushman; Fermin Urra; Aritz Ruiz-Gonzalez

2016-01-01

Multispecies and multiscale habitat suitability models (HSM) are important to identify the environmental variables and scales influencing habitat selection and facilitate the comparison of closely related species with different ecological requirements. Objectives This study explores the multiscale relationships of habitat suitability for the pine (Martes...

Adaptation of a Fast Optimal Interpolation Algorithm to the Mapping of Oceangraphic Data

NASA Technical Reports Server (NTRS)

Menemenlis, Dimitris; Fieguth, Paul; Wunsch, Carl; Willsky, Alan

1997-01-01

A fast, recently developed, multiscale optimal interpolation algorithm has been adapted to the mapping of hydrographic and other oceanographic data. This algorithm produces solution and error estimates which are consistent with those obtained from exact least squares methods, but at a small fraction of the computational cost. Problems whose solution would be completely impractical using exact least squares, that is, problems with tens or hundreds of thousands of measurements and estimation grid points, can easily be solved on a small workstation using the multiscale algorithm. In contrast to methods previously proposed for solving large least squares problems, our approach provides estimation error statistics while permitting long-range correlations, using all measurements, and permitting arbitrary measurement locations. The multiscale algorithm itself, published elsewhere, is not the focus of this paper. However, the algorithm requires statistical models having a very particular multiscale structure; it is the development of a class of multiscale statistical models, appropriate for oceanographic mapping problems, with which we concern ourselves in this paper. The approach is illustrated by mapping temperature in the northeastern Pacific. The number of hydrographic stations is kept deliberately small to show that multiscale and exact least squares results are comparable. A portion of the data were not used in the analysis; these data serve to test the multiscale estimates. A major advantage of the present approach is the ability to repeat the estimation procedure a large number of times for sensitivity studies, parameter estimation, and model testing. We have made available by anonymous Ftp a set of MATLAB-callable routines which implement the multiscale algorithm and the statistical models developed in this paper.

Significance of Strain in Formulation in Theory of Solid Mechanics

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Coroneos, Rula M.; Hopkins, Dale A.

2003-01-01

The basic theory of solid mechanics was deemed complete circa 1860 when St. Venant provided the strain formulation or the field compatibility condition. The strain formulation was incomplete. The missing portion has been formulated and identified as the boundary compatibility condition (BCC). The BCC, derived through a variational formulation, has been verified through integral theorem and solution of problems. The BCC, unlike the field counterpart, do not trivialize when expressed in displacements. Navier s method and the stiffness formulation have to account for the extra conditions especially at the inter-element boundaries in a finite element model. Completion of the strain formulation has led to the revival of the direct force calculation methods: the Integrated Force Method (IFM) and its dual (IFMD) for finite element analysis, and the completed Beltrami-Michell formulation (CBMF) in elasticity. The benefits from the new methods in elasticity, in finite element analysis, and in design optimization are discussed. Existing solutions and computer codes may have to be adjusted for the compliance of the new conditions. Complacency because the discipline is over a century old and computer codes have been developed for half a century can lead to stagnation of the discipline.

Quality variations in black musli (curculigo orchioides gaertn.).

PubMed

Mathew, P P Joy Samuel; Savithri, K E; Skaria, Baby P; Kurien, Kochurani

2004-07-01

Black musli (Curculigo orchioides Gaertn.) one of the ayurvedic dasapushpa and a rejuvenating and aphrodisiac drug. Is on the verge of extinction and needs to be conserved and cultivated. Large variations are also observed in the quality of the crude drug available in the market. Study on the quality of C. orchioides in natural habitat, under cultivation and in trade in south India showed that there was considerable variation with biotypes and habitats. Drugs collected form the natural habitat was superior in quality to that produced by cultivation. Among the market samples collected from the various Zones of kerala, those from the High Ranges were superior in most of the quality parameters, which indicated its superiority for high quality drug formulation. Among the southern states, Tamil Nadu samples ranked next to High Range samples in this respect. There exists large variability in the market samples and there is felt-need for proper standardization of the crude drug for ensuring quality in the drug formulations.

Transition between inverse and direct energy cascades in multiscale optical turbulence

DOE PAGES

Malkin, V. M.; Fisch, N. J.

2018-03-06

Transition between inverse and direct energy cascades in multiscale optical turbulence. Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a singlemore » scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.« less

Multiscale Integration of -Omic, Imaging, and Clinical Data in Biomedical Informatics

PubMed Central

Phan, John H.; Quo, Chang F.; Cheng, Chihwen; Wang, May Dongmei

2016-01-01

This paper reviews challenges and opportunities in multiscale data integration for biomedical informatics. Biomedical data can come from different biological origins, data acquisition technologies, and clinical applications. Integrating such data across multiple scales (e.g., molecular, cellular/tissue, and patient) can lead to more informed decisions for personalized, predictive, and preventive medicine. However, data heterogeneity, community standards in data acquisition, and computational complexity are big challenges for such decision making. This review describes genomic and proteomic (i.e., molecular), histopathological imaging (i.e., cellular/tissue), and clinical (i.e., patient) data; it includes case studies for single-scale (e.g., combining genomic or histopathological image data), multiscale (e.g., combining histopathological image and clinical data), and multiscale and multiplatform (e.g., the Human Protein Atlas and The Cancer Genome Atlas) data integration. Numerous opportunities exist in biomedical informatics research focusing on integration of multiscale and multiplatform data. PMID:23231990

Multiscale Cancer Modeling

PubMed Central

Macklin, Paul; Cristini, Vittorio

2013-01-01

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 insight on 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. PMID:21529163

Multiscale integration of -omic, imaging, and clinical data in biomedical informatics.

PubMed

Phan, John H; Quo, Chang F; Cheng, Chihwen; Wang, May Dongmei

2012-01-01

This paper reviews challenges and opportunities in multiscale data integration for biomedical informatics. Biomedical data can come from different biological origins, data acquisition technologies, and clinical applications. Integrating such data across multiple scales (e.g., molecular, cellular/tissue, and patient) can lead to more informed decisions for personalized, predictive, and preventive medicine. However, data heterogeneity, community standards in data acquisition, and computational complexity are big challenges for such decision making. This review describes genomic and proteomic (i.e., molecular), histopathological imaging (i.e., cellular/tissue), and clinical (i.e., patient) data; it includes case studies for single-scale (e.g., combining genomic or histopathological image data), multiscale (e.g., combining histopathological image and clinical data), and multiscale and multiplatform (e.g., the Human Protein Atlas and The Cancer Genome Atlas) data integration. Numerous opportunities exist in biomedical informatics research focusing on integration of multiscale and multiplatform data.

Multiscale Simulation of Blood Flow in Brain Arteries with an Aneurysm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leopold Grinberg; Vitali Morozov; Dmitry A. Fedosov

2013-04-24

Multi-scale modeling of arterial blood flow can shed light on the interaction between events happening at micro- and meso-scales (i.e., adhesion of red blood cells to the arterial wall, clot formation) and at macro-scales (i.e., change in flow patterns due to the clot). Coupled numerical simulations of such multi-scale flow require state-of-the-art computers and algorithms, along with techniques for multi-scale visualizations.This animation presents results of studies used in the development of a multi-scale visualization methodology. First we use streamlines to show the path the flow is taking as it moves through the system, including the aneurysm. Next we investigate themore » process of thrombus (blood clot) formation, which may be responsible for the rupture of aneurysms, by concentrating on the platelet blood cells, observing as they aggregate on the wall of the aneurysm.« less

Goal-oriented robot navigation learning using a multi-scale space representation.

PubMed

Llofriu, M; Tejera, G; Contreras, M; Pelc, T; Fellous, J M; Weitzenfeld, A

2015-12-01

There has been extensive research in recent years on the multi-scale nature of hippocampal place cells and entorhinal grid cells encoding which led to many speculations on their role in spatial cognition. In this paper we focus on the multi-scale nature of place cells and how they contribute to faster learning during goal-oriented navigation when compared to a spatial cognition system composed of single scale place cells. The task consists of a circular arena with a fixed goal location, in which a robot is trained to find the shortest path to the goal after a number of learning trials. Synaptic connections are modified using a reinforcement learning paradigm adapted to the place cells multi-scale architecture. The model is evaluated in both simulation and physical robots. We find that larger scale and combined multi-scale representations favor goal-oriented navigation task learning. Copyright © 2015 Elsevier Ltd. All rights reserved.

Multiscale modelling in immunology: a review.

PubMed

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. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

TU-EF-304-10: Efficient Multiscale Simulation of the Proton Relative Biological Effectiveness (RBE) for DNA Double Strand Break (DSB) Induction and Bio-Effective Dose in the FLUKA Monte Carlo Radiation Transport Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moskvin, V; Tsiamas, P; Axente, M

2015-06-15

Purpose: One of the more critical initiating events for reproductive cell death is the creation of a DNA double strand break (DSB). In this study, we present a computationally efficient way to determine spatial variations in the relative biological effectiveness (RBE) of proton therapy beams within the FLUKA Monte Carlo (MC) code. Methods: We used the independently tested Monte Carlo Damage Simulation (MCDS) developed by Stewart and colleagues (Radiat. Res. 176, 587–602 2011) to estimate the RBE for DSB induction of monoenergetic protons, tritium, deuterium, hellium-3, hellium-4 ions and delta-electrons. The dose-weighted (RBE) coefficients were incorporated into FLUKA to determinemore » the equivalent {sup 6}°60Co γ-ray dose for representative proton beams incident on cells in an aerobic and anoxic environment. Results: We found that the proton beam RBE for DSB induction at the tip of the Bragg peak, including primary and secondary particles, is close to 1.2. Furthermore, the RBE increases laterally to the beam axis at the area of Bragg peak. At the distal edge, the RBE is in the range from 1.3–1.4 for cells irradiated under aerobic conditions and may be as large as 1.5–1.8 for cells irradiated under anoxic conditions. Across the plateau region, the recorded RBE for DSB induction is 1.02 for aerobic cells and 1.05 for cells irradiated under anoxic conditions. The contribution to total effective dose from secondary heavy ions decreases with depth and is higher at shallow depths (e.g., at the surface of the skin). Conclusion: Multiscale simulation of the RBE for DSB induction provides useful insights into spatial variations in proton RBE within pristine Bragg peaks. This methodology is potentially useful for the biological optimization of proton therapy for the treatment of cancer. The study highlights the need to incorporate spatial variations in proton RBE into proton therapy treatment plans.« less

Nonlinear Synergistic Emergence and Predictability in Complex Systems: Theory and Hydro-Climatic Applications

NASA Astrophysics Data System (ADS)

Perdigão, Rui A. P.; Hall, Julia; Pires, Carlos A. L.; Blöschl, Günter

2017-04-01

Classical and stochastic dynamical system theories assume structural coherence and dynamic recurrence with invariants of motion that are not necessarily so. These are grounded on the unproven assumption of universality in the dynamic laws derived from statistical kinematic evaluation of non-representative empirical records. As a consequence, the associated formulations revolve around a restrictive set of configurations and intermittencies e.g. in an ergodic setting, beyond which any predictability is essentially elusive. Moreover, dynamical systems are fundamentally framed around dynamic codependence among intervening processes, i.e. entail essentially redundant interactions such as couplings and feedbacks. That precludes synergistic cooperation among processes that, whilst independent from each other, jointly produce emerging dynamic behaviour not present in any of the intervening parties. In order to overcome these fundamental limitations, we introduce a broad class of non-recursive dynamical systems that formulate dynamic emergence of unprecedented states in a fundamental synergistic manner, with fundamental principles in mind. The overall theory enables innovations to be predicted from the internal system dynamics before any a priori information is provided about the associated dynamical properties. The theory is then illustrated to anticipate, from non-emergent records, the spatiotemporal emergence of multiscale hyper chaotic regimes, critical transitions and structural coevolutionary changes in synthetic and real-world complex systems. Example applications are provided within the hydro-climatic context, formulating and dynamically forecasting evolving hydro-climatic distributions, including the emergence of extreme precipitation and flooding in a structurally changing hydro-climate system. Validation is then conducted with a posteriori verification of the simulated dynamics against observational records. Agreement between simulations and observations is confirmed with robust nonlinear information diagnostics.

Multi-scale computational study of the mechanical regulation of cell mitotic rounding in epithelia

PubMed Central

Xu, Zhiliang; Zartman, Jeremiah J.; Alber, Mark

2017-01-01

Mitotic rounding during cell division is critical for preventing daughter cells from inheriting an abnormal number of chromosomes, a condition that occurs frequently in cancer cells. Cells must significantly expand their apical area and transition from a polygonal to circular apical shape to achieve robust mitotic rounding in epithelial tissues, which is where most cancers initiate. However, how cells mechanically regulate robust mitotic rounding within packed tissues is unknown. Here, we analyze mitotic rounding using a newly developed multi-scale subcellular element computational model that is calibrated using experimental data. Novel biologically relevant features of the model include separate representations of the sub-cellular components including the apical membrane and cytoplasm of the cell at the tissue scale level as well as detailed description of cell properties during mitotic rounding. Regression analysis of predictive model simulation results reveals the relative contributions of osmotic pressure, cell-cell adhesion and cortical stiffness to mitotic rounding. Mitotic area expansion is largely driven by regulation of cytoplasmic pressure. Surprisingly, mitotic shape roundness within physiological ranges is most sensitive to variation in cell-cell adhesivity and stiffness. An understanding of how perturbed mechanical properties impact mitotic rounding has important potential implications on, amongst others, how tumors progressively become more genetically unstable due to increased chromosomal aneuploidy and more aggressive. PMID:28531187

Predicting Tropical Cyclogenesis with a Global Mesoscale Model: Hierarchical Multiscale Interactions During the Formation of Tropical Cyclone Nargis(2008)

NASA Technical Reports Server (NTRS)

Shen, B.-W.; Tao, W.-K.; Lau, W. K.; Atlas, R.

2010-01-01

Very severe cyclonic storm Nargis devastated Burma (Myanmar) in May 2008, caused tremendous damage and numerous fatalities, and became one of the 10 deadliest tropical cyclones (TCs) of all time. To increase the warning time in order to save lives and reduce economic damage, it is important to extend the lead time in the prediction of TCs like Nargis. As recent advances in high-resolution global models and supercomputing technology have shown the potential for improving TC track and intensity forecasts, the ability of a global mesoscale model to predict TC genesis in the Indian Ocean is examined in this study with the aim of improving simulations of TC climate. High-resolution global simulations with real data show that the initial formation and intensity variations of TC Nargis can be realistically predicted up to 5 days in advance. Preliminary analysis suggests that improved representations of the following environmental conditions and their hierarchical multiscale interactions were the key to achieving this lead time: (1) a westerly wind burst and equatorial trough, (2) an enhanced monsoon circulation with a zero wind shear line, (3) good upper-level outflow with anti-cyclonic wind shear between 200 and 850 hPa, and (4) low-level moisture convergence.

Multiscale Reconstruction for Magnetic Resonance Fingerprinting

PubMed Central

Pierre, Eric Y.; Ma, Dan; Chen, Yong; Badve, Chaitra; Griswold, Mark A.

2015-01-01

Purpose To reduce acquisition time needed to obtain reliable parametric maps with Magnetic Resonance Fingerprinting. Methods An iterative-denoising algorithm is initialized by reconstructing the MRF image series at low image resolution. For subsequent iterations, the method enforces pixel-wise fidelity to the best-matching dictionary template then enforces fidelity to the acquired data at slightly higher spatial resolution. After convergence, parametric maps with desirable spatial resolution are obtained through template matching of the final image series. The proposed method was evaluated on phantom and in-vivo data using the highly-undersampled, variable-density spiral trajectory and compared with the original MRF method. The benefits of additional sparsity constraints were also evaluated. When available, gold standard parameter maps were used to quantify the performance of each method. Results The proposed approach allowed convergence to accurate parametric maps with as few as 300 time points of acquisition, as compared to 1000 in the original MRF work. Simultaneous quantification of T1, T2, proton density (PD) and B0 field variations in the brain was achieved in vivo for a 256×256 matrix for a total acquisition time of 10.2s, representing a 3-fold reduction in acquisition time. Conclusions The proposed iterative multiscale reconstruction reliably increases MRF acquisition speed and accuracy. PMID:26132462

Formulation and Evaluation of Mouth Dissolving Tablets of Cinnarizine

PubMed Central

Patel, B. P.; Patel, J. K.; Rajput, G. C.; Thakor, R. S.

2010-01-01

The purpose of this research was to develop mouth dissolve tablets of cinnarizine by effervescent, superdisintegrant addition and sublimation methods. All the three formulations were evaluated for disintegration time, hardness and friability, among these superdisintegrant addition method showed lowest disintegration time; hence it was selected for further studies. Further nine batches (B1-B9) were prepared by using crospovidone, croscarmellose sodium and L-HPC in different concentrations such as 5, 7.5 and 10%. All the formulations were evaluated for weight variation, hardness, friability, drug content, in vitro disintegration time, wetting time, in vitro dissolution. Formulation with 10% L-HPC showed the less disintegration time (25.3 s) and less wetting time (29.1 s). In vitro dissolution studies showed total drug release at the end of 6 min. PMID:21218071

The relationship between observational scale and explained variance in benthic communities

PubMed Central

Flood, Roger D.; Frisk, Michael G.; Garza, Corey D.; Lopez, Glenn R.; Maher, Nicole P.

2018-01-01

This study addresses the impact of spatial scale on explaining variance in benthic communities. In particular, the analysis estimated the fraction of community variation that occurred at a spatial scale smaller than the sampling interval (i.e., the geographic distance between samples). This estimate is important because it sets a limit on the amount of community variation that can be explained based on the spatial configuration of a study area and sampling design. Six benthic data sets were examined that consisted of faunal abundances, common environmental variables (water depth, grain size, and surficial percent cover), and sonar backscatter treated as a habitat proxy (categorical acoustic provinces). Redundancy analysis was coupled with spatial variograms generated by multiscale ordination to quantify the explained and residual variance at different spatial scales and within and between acoustic provinces. The amount of community variation below the sampling interval of the surveys (< 100 m) was estimated to be 36–59% of the total. Once adjusted for this small-scale variation, > 71% of the remaining variance was explained by the environmental and province variables. Furthermore, these variables effectively explained the spatial structure present in the infaunal community. Overall, no scale problems remained to compromise inferences, and unexplained infaunal community variation had no apparent spatial structure within the observational scale of the surveys (> 100 m), although small-scale gradients (< 100 m) below the observational scale may be present. PMID:29324746

Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations.

PubMed

Nikolov, S; Fabritius, H; Petrov, M; Friák, M; Lymperakis, L; Sachs, C; Raabe, D; Neugebauer, J

2011-02-01

Recently, we proposed a hierarchical model for the elastic properties of mineralized lobster cuticle using (i) ab initio calculations for the chitin properties and (ii) hierarchical homogenization performed in a bottom-up order through all length scales. It has been found that the cuticle possesses nearly extremal, excellent mechanical properties in terms of stiffness that strongly depend on the overall mineral content and the specific microstructure of the mineral-protein matrix. In this study, we investigated how the overall cuticle properties changed when there are significant variations in the properties of the constituents (chitin, amorphous calcium carbonate (ACC), proteins), and the volume fractions of key structural elements such as chitin-protein fibers. It was found that the cuticle performance is very robust with respect to variations in the elastic properties of chitin and fiber proteins at a lower hierarchy level. At higher structural levels, variations of design parameters such as the volume fraction of the chitin-protein fibers have a significant influence on the cuticle performance. Furthermore, we observed that among the possible variations in the cuticle ingredients and volume fractions, the experimental data reflect an optimal use of the structural variations regarding the best possible performance for a given composition due to the smart hierarchical organization of the cuticle design. Copyright © 2011. Elsevier Ltd. All rights reserved.

Development and experimental design of a novel controlled-release matrix tablet formulation for indapamide hemihydrate.

PubMed

Antovska, Packa; Ugarkovic, Sonja; Petruševski, Gjorgji; Stefanova, Bosilka; Manchevska, Blagica; Petkovska, Rumenka; Makreski, Petre

2017-11-01

Development, experimental design and in vitro in vivo correlation (IVIVC) of controlled-release matrix formulation. Development of novel oral controlled delivery system for indapamide hemihydrate, optimization of the formulation by experimental design and evaluation regarding IVIVC on a pilot scale batch as a confirmation of a well-established formulation. In vitro dissolution profiles of controlled-release tablets of indapamide hemihydrate from four different matrices had been evaluated in comparison to the originator's product Natrilix (Servier) as a direction for further development and optimization of a hydroxyethylcellulose-based matrix controlled-release formulation. A central composite factorial design had been applied for the optimization of a chosen controlled-release tablet formulation. The controlled-release tablets with appropriate physical and technological properties had been obtained with a matrix: binder concentration variations in the range: 20-40w/w% for the matrix and 1-3w/w% for the binder. The experimental design had defined the design space for the formulation and was prerequisite for extraction of a particular formulation that would be a subject for transfer on pilot scale and IVIV correlation. The release model of the optimized formulation has shown best fit to the zero order kinetics depicted with the Hixson-Crowell erosion-dependent mechanism of release. Level A correlation was obtained.

Multiscale Study of Currents Affected by Topography

DTIC Science & Technology

2015-09-30

1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Multiscale Study of Currents Affected by Topography ... topography on the ocean general circulation is challenging because of the multiscale nature of the flow interactions. Small-scale details of the... topography , and the waves, drag, and turbulence generated at the boundary, from meter scale to mesoscale, interact in the boundary layers to influence the

Turbulence Model Predictions of Strongly Curved Flow in a U-Duct

NASA Technical Reports Server (NTRS)

Rumsey, Christopher L.; Gatski, Thomas B.; Morrison, Joseph H.

2000-01-01

The ability of three types of turbulence models to accurately predict the effects of curvature on the flow in a U-duct is studied. An explicit algebraic stress model performs slightly better than one- or two-equation linear eddy viscosity models, although it is necessary to fully account for the variation of the production-to-dissipation-rate ratio in the algebraic stress model formulation. In their original formulations, none of these turbulence models fully captures the suppressed turbulence near the convex wall, whereas a full Reynolds stress model does. Some of the underlying assumptions used in the development of algebraic stress models are investigated and compared with the computed flowfield from the full Reynolds stress model. Through this analysis, the assumption of Reynolds stress anisotropy equilibrium used in the algebraic stress model formulation is found to be incorrect in regions of strong curvature. By the accounting for the local variation of the principal axes of the strain rate tensor, the explicit algebraic stress model correctly predicts the suppressed turbulence in the outer part of the boundary layer near the convex wall.

Multiscale Mathematics for Biomass Conversion to Renewable Hydrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plechac, Petr; Vlachos, Dionisios; Katsoulakis, Markos

2013-09-05

The overall objective of this project is to develop multiscale models for understanding and eventually designing complex processes for renewables. To the best of our knowledge, our work is the first attempt at modeling complex reacting systems, whose performance relies on underlying multiscale mathematics. Our specific application lies at the heart of biofuels initiatives of DOE and entails modeling of catalytic systems, to enable economic, environmentally benign, and efficient conversion of biomass into either hydrogen or valuable chemicals. Specific goals include: (i) Development of rigorous spatio-temporal coarse-grained kinetic Monte Carlo (KMC) mathematics and simulation for microscopic processes encountered in biomassmore » transformation. (ii) Development of hybrid multiscale simulation that links stochastic simulation to a deterministic partial differential equation (PDE) model for an entire reactor. (iii) Development of hybrid multiscale simulation that links KMC simulation with quantum density functional theory (DFT) calculations. (iv) Development of parallelization of models of (i)-(iii) to take advantage of Petaflop computing and enable real world applications of complex, multiscale models. In this NCE period, we continued addressing these objectives and completed the proposed work. Main initiatives, key results, and activities are outlined.« less

Petascale computation performance of lightweight multiscale cardiac models using hybrid programming models.

PubMed

Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

2011-01-01

Future multiscale and multiphysics models must use the power of high performance computing (HPC) systems to enable research into human disease, translational medical science, and treatment. Previously we showed that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message passing processes (e.g. the message passing interface (MPI)) with multithreading (e.g. OpenMP, POSIX pthreads). The objective of this work is to compare the performance of such hybrid programming models when applied to the simulation of a lightweight multiscale cardiac model. Our results show that the hybrid models do not perform favourably when compared to an implementation using only MPI which is in contrast to our results using complex physiological models. Thus, with regards to lightweight multiscale cardiac models, the user may not need to increase programming complexity by using a hybrid programming approach. However, considering that model complexity will increase as well as the HPC system size in both node count and number of cores per node, it is still foreseeable that we will achieve faster than real time multiscale cardiac simulations on these systems using hybrid programming models.

Formulation/cure technology for ultrahigh molecular weight silphenylene-siloxane polymers

NASA Technical Reports Server (NTRS)

Hundley, N. H.; Patterson, W. J.

1985-01-01

Molecular weights above one million were achieved for methylvinylsilphenylene-siloxane terpolymers using a two-stage polymerization technique which was successfully scaled up to 200 grams. The resulting polymer was vulcanized by two different formulations and compared to an identically formulated commercial methylvinyl silicone on the basis of ultimate strength, Young's modulus, percent elongation at failure, and tear strength. Relative thermal/oxidative stabilities of the elastomers were assessed by gradient and isothermal thermogravimetric analyses performed in both air and nitrogen. The experimental elastomer exhibited enhanced thermal/oxidative stability and possed equivalent or superior mechanical properties. The effect of variations in prepolymer molecular weight on mechanical properties was also investigated.

Hydrazine levels in formulations of hydralazine, isoniazid, and phenelzine over a 2-year period.

PubMed

Lovering, E G; Matsui, F; Curran, N M; Robertson, D L; Sears, R W

1983-08-01

Hydrazine levels in formulations of hydralazine, isoniazid, and phenelzine have been measured over a 2-year period under ambient conditions and under temperature and humidity stress. Hydralazine tablets are stable under ambient conditions, but the hydrazine level in an injectable formulation increased from 4.5 to 10 micrograms/ml over a 23-month period. Isoniazid tablets are also stable, but hydrazine levels in an elixir and a pyridoxine combination product doubled to 44 micrograms/ml and 19 micrograms/tablet, respectively. Levels in phenelzine tablets appeared to remain constant at approximately 60 micrograms/tablet, with considerable tablet-to-tablet variation.

Explaining variation in tropical plant community composition: influence of environmental and spatial data quality.

PubMed

Jones, Mirkka M; Tuomisto, Hanna; Borcard, Daniel; Legendre, Pierre; Clark, David B; Olivas, Paulo C

2008-03-01

The degree to which variation in plant community composition (beta-diversity) is predictable from environmental variation, relative to other spatial processes, is of considerable current interest. We addressed this question in Costa Rican rain forest pteridophytes (1,045 plots, 127 species). We also tested the effect of data quality on the results, which has largely been overlooked in earlier studies. To do so, we compared two alternative spatial models [polynomial vs. principal coordinates of neighbour matrices (PCNM)] and ten alternative environmental models (all available environmental variables vs. four subsets, and including their polynomials vs. not). Of the environmental data types, soil chemistry contributed most to explaining pteridophyte community variation, followed in decreasing order of contribution by topography, soil type and forest structure. Environmentally explained variation increased moderately when polynomials of the environmental variables were included. Spatially explained variation increased substantially when the multi-scale PCNM spatial model was used instead of the traditional, broad-scale polynomial spatial model. The best model combination (PCNM spatial model and full environmental model including polynomials) explained 32% of pteridophyte community variation, after correcting for the number of sampling sites and explanatory variables. Overall evidence for environmental control of beta-diversity was strong, and the main floristic gradients detected were correlated with environmental variation at all scales encompassed by the study (c. 100-2,000 m). Depending on model choice, however, total explained variation differed more than fourfold, and the apparent relative importance of space and environment could be reversed. Therefore, we advocate a broader recognition of the impacts that data quality has on analysis results. A general understanding of the relative contributions of spatial and environmental processes to species distributions and beta-diversity requires that methodological artefacts are separated from real ecological differences.

Singularities of the quad curl problem

NASA Astrophysics Data System (ADS)

Nicaise, Serge

2018-04-01

We consider the quad curl problem in smooth and non smooth domains of the space. We first give an augmented variational formulation equivalent to the one from [25] if the datum is divergence free. We describe the singularities of the variational space which correspond to the ones of the Maxwell system with perfectly conducting boundary conditions. The edge and corner singularities of the solution of the corresponding boundary value problem with smooth data are also characterized. We finally obtain some regularity results of the variational solution.